smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685953573 538898019 /nfs/dbraw/zinc/89/80/19/538898019.db2.gz IPDQFBPYUUAKGD-LBPRGKRZSA-N 2 0 224.392 2.767 10 0 BFAERP C[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000685953998 538898658 /nfs/dbraw/zinc/89/86/58/538898658.db2.gz KFEWITYVXVMMAX-NSHDSACASA-N 2 0 224.392 2.624 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955281 538900634 /nfs/dbraw/zinc/90/06/34/538900634.db2.gz XEFHJHVSJYSVAI-LBPRGKRZSA-N 2 0 224.392 2.768 10 0 BFAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685955141 538900836 /nfs/dbraw/zinc/90/08/36/538900836.db2.gz ULZDRCOAEHUBHH-RFQIPJPRSA-N 2 0 224.392 2.623 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685955294 538900988 /nfs/dbraw/zinc/90/09/88/538900988.db2.gz XJQTYBFEUIBKIB-XJFOESAGSA-N 2 0 224.392 2.623 10 0 BFAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000685952696 538896828 /nfs/dbraw/zinc/89/68/28/538896828.db2.gz CCNDXQBWRBZZJH-DYEKYZERSA-N 2 0 224.392 2.624 10 0 BFAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000685952697 538896996 /nfs/dbraw/zinc/89/69/96/538896996.db2.gz CCNDXQBWRBZZJH-MBNYWOFBSA-N 2 0 224.392 2.624 10 0 BFAERP CCC(CC)(C[NH3+])C[N@@H+]1CCCC[C@H]1C ZINC000051208822 168323108 /nfs/dbraw/zinc/32/31/08/168323108.db2.gz ZVOANWJGXIXBDM-GFCCVEGCSA-N 2 0 212.381 2.626 10 0 BFAERP Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)oc1C[NH3+] ZINC000052420736 178005769 /nfs/dbraw/zinc/00/57/69/178005769.db2.gz OIKGBXFBECDBLG-PHIMTYICSA-N 2 0 236.359 2.525 10 0 BFAERP CCC(CC)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019073 168360109 /nfs/dbraw/zinc/36/01/09/168360109.db2.gz GTHSQXWZPBMQQU-GOOCMWNKSA-N 2 0 238.419 2.885 10 0 BFAERP C=C[Si](C=C)([NH+](CC)CC)[NH+](CC)CC ZINC000205061615 343617187 /nfs/dbraw/zinc/61/71/87/343617187.db2.gz FYYCXYLMGPRWLV-UHFFFAOYSA-N 2 0 226.440 2.563 10 0 BFAERP CC[NH2+][C@H](C)CC[N@H+](C)Cc1ccccc1 ZINC000043816531 344236864 /nfs/dbraw/zinc/23/68/64/344236864.db2.gz PNYRFQYUNGOLFQ-CYBMUJFWSA-N 2 0 220.360 2.507 10 0 BFAERP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000634999021 345199180 /nfs/dbraw/zinc/19/91/80/345199180.db2.gz OXEMMGOJBZQOGZ-WBMJQRKESA-N 2 0 244.382 2.591 10 0 BFAERP Cc1cc([C@@H]2C[C@@H]([NH3+])CCN2C)ccc1Cl ZINC000675054011 537891390 /nfs/dbraw/zinc/89/13/90/537891390.db2.gz LJYLKSVFFRRPIM-AAEUAGOBSA-N 2 0 238.762 2.742 10 0 BFAERP CC[N@H+](CC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000137502869 345642480 /nfs/dbraw/zinc/64/24/80/345642480.db2.gz CCBRQAPNJYDIQY-OAHLLOKOSA-N 2 0 232.371 2.636 10 0 BFAERP [NH3+]CCN(Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000236196533 346206425 /nfs/dbraw/zinc/20/64/25/346206425.db2.gz LRCXMKDCALFVTJ-OAHLLOKOSA-N 2 0 230.355 2.556 10 0 BFAERP Cc1ccccc1C[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049666763 179275870 /nfs/dbraw/zinc/27/58/70/179275870.db2.gz OZFIJOXGQMYZEN-ZIAGYGMSSA-N 2 0 246.398 2.672 10 0 BFAERP Cc1ccccc1[C@H](C)[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049667719 179334764 /nfs/dbraw/zinc/33/47/64/179334764.db2.gz QHXCTDGYGCHMKU-ZFWWWQNUSA-N 2 0 246.398 2.987 10 0 BFAERP C1CC12[C@H]([NH2+]C1CCCCC1)C1CCN2CC1 ZINC000616579638 349167733 /nfs/dbraw/zinc/16/77/33/349167733.db2.gz VBQJFQHLNUPQAJ-CQSZACIVSA-N 2 0 234.387 2.536 10 0 BFAERP CCCC1CC[NH+]([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000050893150 168607428 /nfs/dbraw/zinc/60/74/28/168607428.db2.gz RGWFKRFRXBZOLG-KGLIPLIRSA-N 2 0 224.392 2.626 10 0 BFAERP Cc1[nH+]ccc(N[C@H](C)CCC[NH3+])c1Cl ZINC000309001852 180204987 /nfs/dbraw/zinc/20/49/87/180204987.db2.gz LPWWWHGOMMCBPV-MRVPVSSYSA-N 2 0 227.739 2.583 10 0 BFAERP Cc1oc(C[NH+]2CCCCC2)cc1C[NH2+]C1CC1 ZINC000052421195 180532111 /nfs/dbraw/zinc/53/21/11/180532111.db2.gz ZFRMEDKPSGOHRT-UHFFFAOYSA-N 2 0 248.370 2.826 10 0 BFAERP CC1(C)C[C@H]([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000306842269 351156376 /nfs/dbraw/zinc/15/63/76/351156376.db2.gz BQXLIEFALFGDOQ-CQSZACIVSA-N 2 0 232.371 2.636 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394865095 351858992 /nfs/dbraw/zinc/85/89/92/351858992.db2.gz ONQSKTUWJVAGJQ-UONOGXRCSA-N 2 0 236.403 2.783 10 0 BFAERP C[C@@H]1C[C@@H](C)C[NH+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725269575 538101737 /nfs/dbraw/zinc/10/17/37/538101737.db2.gz AIIDWPGQQLBZLW-HIKVSJJOSA-N 2 0 236.403 2.624 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725269576 538101680 /nfs/dbraw/zinc/10/16/80/538101680.db2.gz AIIDWPGQQLBZLW-HKGGGCDWSA-N 2 0 236.403 2.624 10 0 BFAERP CCN1CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000300984490 352582009 /nfs/dbraw/zinc/58/20/09/352582009.db2.gz USVVZQZYTHUORN-UONOGXRCSA-N 2 0 226.408 2.743 10 0 BFAERP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000629531192 538107744 /nfs/dbraw/zinc/10/77/44/538107744.db2.gz CZJXSXUAHDILBA-QWRGUYRKSA-N 2 0 248.361 2.646 10 0 BFAERP CC(C)([NH3+])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083332015 188270823 /nfs/dbraw/zinc/27/08/23/188270823.db2.gz PPEZGPAUDKMWNW-AWEZNQCLSA-N 2 0 232.371 2.636 10 0 BFAERP CCN1CC[C@@H]([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000389271226 355938738 /nfs/dbraw/zinc/93/87/38/355938738.db2.gz RAYBTFJDZJYXOA-DGCLKSJQSA-N 2 0 238.400 2.801 10 0 BFAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(F)(F)C1 ZINC000423076024 192561283 /nfs/dbraw/zinc/56/12/83/192561283.db2.gz PWSGKOIDUYOHNT-QWRGUYRKSA-N 2 0 246.345 2.685 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583078290 357473687 /nfs/dbraw/zinc/47/36/87/357473687.db2.gz KGAMYDHMBPKMIY-YJNKXOJESA-N 2 0 238.419 2.933 10 0 BFAERP CC[C@@H]1CC[C@H](CC[NH+]2CCCC2)[N@H+](C)C1 ZINC000584652212 358307024 /nfs/dbraw/zinc/30/70/24/358307024.db2.gz QQUFBQNUZZCFGO-ZIAGYGMSSA-N 2 0 224.392 2.593 10 0 BFAERP C[C@H](C[C@H](C)[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000228269962 358372069 /nfs/dbraw/zinc/37/20/69/358372069.db2.gz BMMKQPXRYQZOPO-WDEREUQCSA-N 2 0 229.327 2.773 10 0 BFAERP CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000070280424 359048903 /nfs/dbraw/zinc/04/89/03/359048903.db2.gz ZPFKHCOKQJKGHN-HUUCEWRRSA-N 2 0 232.371 2.679 10 0 BFAERP CC[N@@H+]1CC[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576337 360027926 /nfs/dbraw/zinc/02/79/26/360027926.db2.gz FMVHKTRNCZBSAQ-YMAMQOFZSA-N 2 0 238.419 2.744 10 0 BFAERP [NH3+]C1CCC([NH+]2CCCCCCC2)CC1 ZINC000055144282 181341855 /nfs/dbraw/zinc/34/18/55/181341855.db2.gz VIVRLTYFYNYNKT-UHFFFAOYSA-N 2 0 210.365 2.522 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000252602114 363987173 /nfs/dbraw/zinc/98/71/73/363987173.db2.gz MVNXWIAOOBRPPZ-VNHYZAJKSA-N 2 0 232.371 2.505 10 0 BFAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000574069925 364981424 /nfs/dbraw/zinc/98/14/24/364981424.db2.gz DDLDDJNPZZIDDJ-DYEKYZERSA-N 2 0 224.392 2.543 10 0 BFAERP [NH3+]CCC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000082343862 181385869 /nfs/dbraw/zinc/38/58/69/181385869.db2.gz MHIHEMRHBKMEAM-HNNXBMFYSA-N 2 0 232.371 2.638 10 0 BFAERP [NH3+]CCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000082343863 181385877 /nfs/dbraw/zinc/38/58/77/181385877.db2.gz MHIHEMRHBKMEAM-OAHLLOKOSA-N 2 0 232.371 2.638 10 0 BFAERP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000381327974 367380732 /nfs/dbraw/zinc/38/07/32/367380732.db2.gz RTJRINPTXLRMLF-MJBXVCDLSA-N 2 0 226.408 2.743 10 0 BFAERP CC1([NH+]2CCC([NH3+])CC2)CCCCCCC1 ZINC000059095935 368333856 /nfs/dbraw/zinc/33/38/56/368333856.db2.gz KXCMXFXMPKJLQV-UHFFFAOYSA-N 2 0 224.392 2.913 10 0 BFAERP [NH3+]C1CCC(CCC2CCC([NH3+])CC2)CC1 ZINC000115237528 368981451 /nfs/dbraw/zinc/98/14/51/368981451.db2.gz NTTCKQODKNUAGQ-UHFFFAOYSA-N 2 0 224.392 2.802 10 0 BFAERP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000631837197 369090452 /nfs/dbraw/zinc/09/04/52/369090452.db2.gz OMWZVWARNDIPFI-DOMZBBRYSA-N 2 0 244.382 2.591 10 0 BFAERP CC(C)[C@H](C)[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230004295 371632382 /nfs/dbraw/zinc/63/23/82/371632382.db2.gz NROWYBPWIHSGFJ-AWEZNQCLSA-N 2 0 234.387 2.882 10 0 BFAERP CCC[N@H+](CCC[NH3+])Cc1cc(C)cc(C)c1 ZINC000038076703 169156381 /nfs/dbraw/zinc/15/63/81/169156381.db2.gz ANKFJPLKEGAYRH-UHFFFAOYSA-N 2 0 234.387 2.864 10 0 BFAERP CCC[N@H+](Cc1ccoc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000063048075 169178888 /nfs/dbraw/zinc/17/88/88/169178888.db2.gz DQVXRUJUROGLAV-YIONKMFJSA-N 2 0 248.370 2.775 10 0 BFAERP c1cc(C[NH2+]C2CC2)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543800 183349177 /nfs/dbraw/zinc/34/91/77/183349177.db2.gz LJJRPDOSYRYEJJ-SMDDNHRTSA-N 2 0 246.354 2.516 10 0 BFAERP c1ccc(C[N@H+]2CCC[C@H]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000096895237 183397947 /nfs/dbraw/zinc/39/79/47/183397947.db2.gz YENIKBKOHNVCKT-HOTGVXAUSA-N 2 0 244.382 2.651 10 0 BFAERP c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H]2CCC[NH2+]2)cc1 ZINC000096895234 183398559 /nfs/dbraw/zinc/39/85/59/183398559.db2.gz NDIHTTASYQLTEA-JKSUJKDBSA-N 2 0 244.382 2.793 10 0 BFAERP c1ccc(C[N@H+]2CC[C@H](CC[NH2+]C3CC3)C2)cc1 ZINC000095079393 183401063 /nfs/dbraw/zinc/40/10/63/183401063.db2.gz HRSJXDFKZMONQZ-HNNXBMFYSA-N 2 0 244.382 2.651 10 0 BFAERP CCC[C@@H](C)[N@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036790830 169365645 /nfs/dbraw/zinc/36/56/45/169365645.db2.gz GQWKNOZPUNZBEU-LLVKDONJSA-N 2 0 233.359 2.591 10 0 BFAERP C[C@H](C[C@H](C[NH3+])[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591129 384001917 /nfs/dbraw/zinc/00/19/17/384001917.db2.gz XPOCUETWGWPYKX-BMFZPTHFSA-N 2 0 246.398 2.897 10 0 BFAERP C[C@@H]1C[C@H]([NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592739 384001597 /nfs/dbraw/zinc/00/15/97/384001597.db2.gz ZJJABKUGECYXQM-CXTNEJHOSA-N 2 0 232.371 2.633 10 0 BFAERP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000518513971 383972539 /nfs/dbraw/zinc/97/25/39/383972539.db2.gz AENGBGBWDVJCTL-NWDGAFQWSA-N 2 0 238.400 2.534 10 0 BFAERP CC[C@H](C)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086730709 384679521 /nfs/dbraw/zinc/67/95/21/384679521.db2.gz QSDZJKYGUBLPHG-ZFDZMSFRSA-N 2 0 212.381 2.671 10 0 BFAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc(Cl)cc1 ZINC000258691744 384931621 /nfs/dbraw/zinc/93/16/21/384931621.db2.gz BOLYGRNLOONSSV-UHFFFAOYSA-N 2 0 226.751 2.557 10 0 BFAERP CC[NH+](CC)CCC[C@H]([NH3+])c1ccc(F)cc1 ZINC000058826696 385028089 /nfs/dbraw/zinc/02/80/89/385028089.db2.gz IWNIVIKVBAMIJY-AWEZNQCLSA-N 2 0 238.350 2.948 10 0 BFAERP C(CC1CCCCCC1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398341887 385134794 /nfs/dbraw/zinc/13/47/94/385134794.db2.gz HAFSLNDOJXXGOG-CQSZACIVSA-N 2 0 224.392 2.546 10 0 BFAERP [NH3+]C[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625254 385175363 /nfs/dbraw/zinc/17/53/63/385175363.db2.gz AFHIMDPHXZNRAO-CVEARBPZSA-N 2 0 244.382 2.638 10 0 BFAERP CCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171138949 385469771 /nfs/dbraw/zinc/46/97/71/385469771.db2.gz VQNQRXGFFCCUAY-CYBMUJFWSA-N 2 0 233.359 2.616 10 0 BFAERP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335020871 385980147 /nfs/dbraw/zinc/98/01/47/385980147.db2.gz CIJFTFMJVUZWKA-NWDGAFQWSA-N 2 0 246.345 2.544 10 0 BFAERP Cc1[nH+]ccc(NC[C@H]2CCCC[NH2+]2)c1Cl ZINC000309343211 386005057 /nfs/dbraw/zinc/00/50/57/386005057.db2.gz LCULUXFAJUIHFN-SNVBAGLBSA-N 2 0 239.750 2.597 10 0 BFAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415012228 386492361 /nfs/dbraw/zinc/49/23/61/386492361.db2.gz JBKLCNIEGVKNEZ-KKOKHZNYSA-N 2 0 212.381 2.527 10 0 BFAERP C[C@@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414820623 386666929 /nfs/dbraw/zinc/66/69/29/386666929.db2.gz AMRQLVZOMBZQCG-YXQSOJMXSA-N 2 0 236.403 2.828 10 0 BFAERP CC(C)CC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000391798270 386657478 /nfs/dbraw/zinc/65/74/78/386657478.db2.gz DZRIEGSKIRSQKZ-CYBMUJFWSA-N 2 0 224.392 2.544 10 0 BFAERP Cc1cccc(Cl)c1[C@@H]([NH3+])CCCC[NH3+] ZINC000575439619 387123228 /nfs/dbraw/zinc/12/32/28/387123228.db2.gz VXQWNPVQNDPENF-NSHDSACASA-N 2 0 226.751 2.777 10 0 BFAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1Cl ZINC000575440151 387127586 /nfs/dbraw/zinc/12/75/86/387127586.db2.gz KTKFYQQTLFUPRD-LBPRGKRZSA-N 2 0 226.751 2.777 10 0 BFAERP CC(C)CC1([N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000536954961 387168285 /nfs/dbraw/zinc/16/82/85/387168285.db2.gz PEEDJHHBLFHQGU-CQSZACIVSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400755172 387648200 /nfs/dbraw/zinc/64/82/00/387648200.db2.gz WUDKVSRQFSKISY-CJNGLKHVSA-N 2 0 246.398 2.898 10 0 BFAERP CCc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422748963 387653540 /nfs/dbraw/zinc/65/35/40/387653540.db2.gz WWVPVZGXLJBYAQ-NWDGAFQWSA-N 2 0 232.371 2.508 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000309494283 387810431 /nfs/dbraw/zinc/81/04/31/387810431.db2.gz XZGHLXLCABHRGD-KGLIPLIRSA-N 2 0 222.376 2.559 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000309494280 387810588 /nfs/dbraw/zinc/81/05/88/387810588.db2.gz XZGHLXLCABHRGD-KBPBESRZSA-N 2 0 222.376 2.559 10 0 BFAERP Cc1ccccc1[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615559 387857792 /nfs/dbraw/zinc/85/77/92/387857792.db2.gz JGTYDIHBRVBCEV-SOUVJXGZSA-N 2 0 244.382 2.549 10 0 BFAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC(F)(F)C1 ZINC000423076021 387877382 /nfs/dbraw/zinc/87/73/82/387877382.db2.gz PWSGKOIDUYOHNT-GHMZBOCLSA-N 2 0 246.345 2.685 10 0 BFAERP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)[C@@H]1C[C@H]1C ZINC000322211006 388032140 /nfs/dbraw/zinc/03/21/40/388032140.db2.gz UJTPFBMQFJGJJM-BARDWOONSA-N 2 0 238.419 2.741 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000643492779 388091183 /nfs/dbraw/zinc/09/11/83/388091183.db2.gz CYKDVBXPNMBJSU-STQMWFEESA-N 2 0 238.419 2.790 10 0 BFAERP Cc1cc(NC[C@@H](C)C[NH3+])c2ccccc2[nH+]1 ZINC000086634466 388105573 /nfs/dbraw/zinc/10/55/73/388105573.db2.gz SBPNSNKBBFWEAH-JTQLQIEISA-N 2 0 229.327 2.550 10 0 BFAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCOc2ccccc21 ZINC000336785692 388471566 /nfs/dbraw/zinc/47/15/66/388471566.db2.gz AJWHEJXUZDBXNB-OCCSQVGLSA-N 2 0 248.370 2.617 10 0 BFAERP CCc1cc(N[C@@H]2CCC[N@@H+](CC)C2)cc[nH+]1 ZINC000307774105 388425587 /nfs/dbraw/zinc/42/55/87/388425587.db2.gz RAPJGTIVTZGVAW-CQSZACIVSA-N 2 0 233.359 2.540 10 0 BFAERP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000397797545 388500414 /nfs/dbraw/zinc/50/04/14/388500414.db2.gz MAJNVRFHTABSIL-AVGNSLFASA-N 2 0 226.408 2.598 10 0 BFAERP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000530219909 388632048 /nfs/dbraw/zinc/63/20/48/388632048.db2.gz SAGVTNLUIJIKEX-NSHDSACASA-N 2 0 248.361 2.790 10 0 BFAERP CC(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152692722 134513529 /nfs/dbraw/zinc/51/35/29/134513529.db2.gz XBZBIWLTZORCGL-UHFFFAOYSA-N 2 0 238.419 2.840 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251439864 135069766 /nfs/dbraw/zinc/06/97/66/135069766.db2.gz VDGSGEPMAXDCKA-IHRRRGAJSA-N 2 0 226.408 2.918 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251518431 135070285 /nfs/dbraw/zinc/07/02/85/135070285.db2.gz GCXUWECXSVUOCB-MCIONIFRSA-N 2 0 236.403 2.639 10 0 BFAERP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000261568746 135210405 /nfs/dbraw/zinc/21/04/05/135210405.db2.gz FVAJGIBVOIOGBB-OUAUKWLOSA-N 2 0 240.778 2.596 10 0 BFAERP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000261568747 135210499 /nfs/dbraw/zinc/21/04/99/135210499.db2.gz FVAJGIBVOIOGBB-VWYCJHECSA-N 2 0 240.778 2.596 10 0 BFAERP CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000164423012 135252167 /nfs/dbraw/zinc/25/21/67/135252167.db2.gz RDDJMNYHPYIXGR-KBPBESRZSA-N 2 0 226.408 2.885 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000164422899 135252173 /nfs/dbraw/zinc/25/21/73/135252173.db2.gz RDDJMNYHPYIXGR-KGLIPLIRSA-N 2 0 226.408 2.885 10 0 BFAERP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262053640 135275701 /nfs/dbraw/zinc/27/57/01/135275701.db2.gz QLAZLZYMMIVHTQ-LSDHHAIUSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)C[NH2+]CC1(C[N@H+](C)C2CC2)CCCC1 ZINC000051215140 167003111 /nfs/dbraw/zinc/00/31/11/167003111.db2.gz MEEZODKXMZNAEL-UHFFFAOYSA-N 2 0 238.419 2.887 10 0 BFAERP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000259014817 322880864 /nfs/dbraw/zinc/88/08/64/322880864.db2.gz YCQCKSBARUXKKQ-ZDUSSCGKSA-N 2 0 240.350 2.539 10 0 BFAERP CC(C)C[NH2+]C[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000053030986 167007233 /nfs/dbraw/zinc/00/72/33/167007233.db2.gz NWLSNPQEXXVRFD-HNNXBMFYSA-N 2 0 238.419 2.744 10 0 BFAERP CC(C)[NH2+]C1CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 ZINC000309718023 167094423 /nfs/dbraw/zinc/09/44/23/167094423.db2.gz ZOSOOVRICXWRLH-OCCSQVGLSA-N 2 0 224.392 2.637 10 0 BFAERP CC[NH+](CC)Cc1cc(Cl)ccc1C[NH3+] ZINC000238252807 169789644 /nfs/dbraw/zinc/78/96/44/169789644.db2.gz VLXJOTXFINQJAI-UHFFFAOYSA-N 2 0 226.751 2.641 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CCCc3ccccc32)C1 ZINC000401884592 411168324 /nfs/dbraw/zinc/16/83/24/411168324.db2.gz SHCYALFQCHZXNI-DUVNUKRYSA-N 2 0 244.382 2.652 10 0 BFAERP CC1([NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000076677762 168054743 /nfs/dbraw/zinc/05/47/43/168054743.db2.gz VBIARUJUBIWNKJ-YIONKMFJSA-N 2 0 230.355 2.531 10 0 BFAERP CC1([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000070503349 168062318 /nfs/dbraw/zinc/06/23/18/168062318.db2.gz QTSBCTOUBCXFIA-QWHCGFSZSA-N 2 0 224.392 2.816 10 0 BFAERP CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000063146969 168152883 /nfs/dbraw/zinc/15/28/83/168152883.db2.gz MSEZZIGIMGVYKT-NIRLBGDNSA-N 2 0 236.403 2.767 10 0 BFAERP CC1CC[NH+](CC2(C[NH3+])CCCCC2)CC1 ZINC000049819830 168179460 /nfs/dbraw/zinc/17/94/60/168179460.db2.gz GJXSYAGKIGLHNE-UHFFFAOYSA-N 2 0 224.392 2.628 10 0 BFAERP C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000415094293 411490989 /nfs/dbraw/zinc/49/09/89/411490989.db2.gz DPARIIAEMRZWGE-UMVBOHGHSA-N 2 0 238.419 2.933 10 0 BFAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CC1(C)C ZINC000054602627 170109992 /nfs/dbraw/zinc/10/99/92/170109992.db2.gz NEHKULLGXFONMU-WTUNAVPPSA-N 2 0 236.403 2.780 10 0 BFAERP CC[NH2+]CCCC[N@H+](CCOC)C(CC)CC ZINC000052573271 170112318 /nfs/dbraw/zinc/11/23/18/170112318.db2.gz JQFCOTDHMUIPLB-UHFFFAOYSA-N 2 0 244.423 2.513 10 0 BFAERP CC[NH2+]CC[C@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000062945581 170117226 /nfs/dbraw/zinc/11/72/26/170117226.db2.gz VBKWZLWZNQCHIM-AWEZNQCLSA-N 2 0 246.398 2.823 10 0 BFAERP CC[NH2+]C[C@](C)(CC)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051207071 170123839 /nfs/dbraw/zinc/12/38/39/170123839.db2.gz FNEFGVNCAUYSTC-ZNMIVQPWSA-N 2 0 240.435 2.990 10 0 BFAERP CC[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000020129488 170128142 /nfs/dbraw/zinc/12/81/42/170128142.db2.gz OECXRUBTTZQCGA-UHFFFAOYSA-N 2 0 220.360 2.638 10 0 BFAERP CC[NH2+]Cc1cccc(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000052484355 170128603 /nfs/dbraw/zinc/12/86/03/170128603.db2.gz VRVKSHIGBSZPHE-CYBMUJFWSA-N 2 0 232.371 2.638 10 0 BFAERP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+]1CC[C@H](C)C1 ZINC000053870449 170150741 /nfs/dbraw/zinc/15/07/41/170150741.db2.gz MDSAMEITJAJMGC-RRFJBIMHSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000053861129 170150986 /nfs/dbraw/zinc/15/09/86/170150986.db2.gz YHNSNKMJJBLACO-ZIAGYGMSSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710696 170151661 /nfs/dbraw/zinc/15/16/61/170151661.db2.gz UAUVMZBHXCDWCA-TZMCWYRMSA-N 2 0 224.392 2.639 10 0 BFAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)CC(C)C ZINC000053865785 170153727 /nfs/dbraw/zinc/15/37/27/170153727.db2.gz QZVNIKRUZZBBNN-RRFJBIMHSA-N 2 0 240.435 2.989 10 0 BFAERP CC[NH2+][C@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC000111728816 170157018 /nfs/dbraw/zinc/15/70/18/170157018.db2.gz OSIHOYIYQNWYED-CYBMUJFWSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000060743297 170165575 /nfs/dbraw/zinc/16/55/75/170165575.db2.gz ARWVMIXJKNEVSG-KBPBESRZSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000054554552 170169054 /nfs/dbraw/zinc/16/90/54/170169054.db2.gz VOKMMLABFKQVCK-KKUMJFAQSA-N 2 0 238.419 2.885 10 0 BFAERP CC[C@@H]1CC[N@@H+](C2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049664887 171009386 /nfs/dbraw/zinc/00/93/86/171009386.db2.gz YIXLHKBLEJBPKN-QWHCGFSZSA-N 2 0 224.392 2.782 10 0 BFAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCCc2ccccc2C1 ZINC000062945393 171166133 /nfs/dbraw/zinc/16/61/33/171166133.db2.gz CKQOKCXQLVWNQV-INIZCTEOSA-N 2 0 246.398 2.810 10 0 BFAERP CC[C@H](C)[N@H+](C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022737 171310285 /nfs/dbraw/zinc/31/02/85/171310285.db2.gz NEQMEYUVOODION-AAEUAGOBSA-N 2 0 233.359 2.784 10 0 BFAERP C[C@H]1CC(C[NH2+]C2CCC([NH3+])CC2)C[C@H](C)C1 ZINC000665238942 412180230 /nfs/dbraw/zinc/18/02/30/412180230.db2.gz IANKXZJXEWQFOU-HGWMRPEMSA-N 2 0 238.419 2.918 10 0 BFAERP CCc1ccc([C@H](CCC[NH3+])[NH+](C)C)cc1 ZINC000019673836 171841322 /nfs/dbraw/zinc/84/13/22/171841322.db2.gz DUIGJTKIRDGBNE-AWEZNQCLSA-N 2 0 220.360 2.591 10 0 BFAERP C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000051252325 173336271 /nfs/dbraw/zinc/33/62/71/173336271.db2.gz UTNYYDWOFDCUHR-CQSZACIVSA-N 2 0 238.419 2.887 10 0 BFAERP C[NH2+]CCC[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425340 173350702 /nfs/dbraw/zinc/35/07/02/173350702.db2.gz PHXKLXFUNZVSEC-LBPRGKRZSA-N 2 0 238.350 2.646 10 0 BFAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000071142322 173381286 /nfs/dbraw/zinc/38/12/86/173381286.db2.gz VHGSTFZMNMBZHA-LSDHHAIUSA-N 2 0 246.398 2.906 10 0 BFAERP COc1cccc([C@H](CCC[NH3+])[NH+]2CCCC2)c1 ZINC000019674099 175293896 /nfs/dbraw/zinc/29/38/96/175293896.db2.gz CGDALCVCQVYBNJ-HNNXBMFYSA-N 2 0 248.370 2.571 10 0 BFAERP COc1ccccc1[C@H](CCC[NH3+])[NH+]1CCCC1 ZINC000019674096 175353237 /nfs/dbraw/zinc/35/32/37/175353237.db2.gz INEMAOZBBYMLJO-AWEZNQCLSA-N 2 0 248.370 2.571 10 0 BFAERP C[C@@H]1CC2(CCC2)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336596907 176057687 /nfs/dbraw/zinc/05/76/87/176057687.db2.gz AKJLFFSUNVWDAX-ZIAGYGMSSA-N 2 0 236.403 2.735 10 0 BFAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccoc1C[NH3+] ZINC000052546709 176079133 /nfs/dbraw/zinc/07/91/33/176079133.db2.gz WRFAKEFUDJJVAN-YPMHNXCESA-N 2 0 236.359 2.749 10 0 BFAERP C[C@@H]1CCCC[C@H]1[N@H+](C)C1CCC([NH3+])CC1 ZINC000055144608 176085924 /nfs/dbraw/zinc/08/59/24/176085924.db2.gz ZRBFQOFIMOWNNN-BLYZHGLHSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1ccco1 ZINC000035701632 176090433 /nfs/dbraw/zinc/09/04/33/176090433.db2.gz NPXLXQYRYPWVMY-TZMCWYRMSA-N 2 0 236.359 2.619 10 0 BFAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053861946 176099961 /nfs/dbraw/zinc/09/99/61/176099961.db2.gz JGQZZMHHCGQKGJ-RDBSUJKOSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563630 176100809 /nfs/dbraw/zinc/10/08/09/176100809.db2.gz JAKVCJYYUINFEH-CHWSQXEVSA-N 2 0 232.371 2.766 10 0 BFAERP C[C@@H]1CCC[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000026741662 176152970 /nfs/dbraw/zinc/15/29/70/176152970.db2.gz LHSNIQNSBQTYIU-CABCVRRESA-N 2 0 238.419 2.840 10 0 BFAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC1CCCCC1 ZINC000042427272 176202129 /nfs/dbraw/zinc/20/21/29/176202129.db2.gz VGYIESKFFVSTQD-OCCSQVGLSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC000104366318 176228507 /nfs/dbraw/zinc/22/85/07/176228507.db2.gz ZOKVYBMKGARNSD-SNPRPXQTSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[NH+]2CCCCCC2)C1 ZINC000053861971 176228874 /nfs/dbraw/zinc/22/88/74/176228874.db2.gz RHNUUHVJBZJUPA-RDBSUJKOSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@H](CCC[NH2+]C1CC1)[NH+]1Cc2ccccc2C1 ZINC000052374460 176620994 /nfs/dbraw/zinc/62/09/94/176620994.db2.gz JISDMQIIHOGMTE-CYBMUJFWSA-N 2 0 244.382 2.923 10 0 BFAERP C[C@H]1CCCC[C@@H]1[N@H+](C)C1CCC([NH3+])CC1 ZINC000055144606 177080458 /nfs/dbraw/zinc/08/04/58/177080458.db2.gz ZRBFQOFIMOWNNN-ABXWRUBCSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408413 177088802 /nfs/dbraw/zinc/08/88/02/177088802.db2.gz RPERLMYOWZZQEQ-KCQAQPDRSA-N 2 0 236.403 2.639 10 0 BFAERP C[C@H]1CCC[N@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000034050214 177100285 /nfs/dbraw/zinc/10/02/85/177100285.db2.gz QLTHMEKETMHHRP-ZFWWWQNUSA-N 2 0 232.371 2.808 10 0 BFAERP C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000037910472 177111977 /nfs/dbraw/zinc/11/19/77/177111977.db2.gz GDUIIIDYQNRFDQ-GWCFXTLKSA-N 2 0 238.762 2.824 10 0 BFAERP C[C@H]1CCC[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000026741667 177144556 /nfs/dbraw/zinc/14/45/56/177144556.db2.gz LHSNIQNSBQTYIU-GJZGRUSLSA-N 2 0 238.419 2.840 10 0 BFAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000051746712 177159091 /nfs/dbraw/zinc/15/90/91/177159091.db2.gz RGVFVXWGVNLHAJ-MRFVTOPCSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@@H]1CC[N@@H+](CC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666010 177159261 /nfs/dbraw/zinc/15/92/61/177159261.db2.gz MYEKSRQOIYZYQY-BETUJISGSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]1CC[N@@H+](CCc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664771 177160941 /nfs/dbraw/zinc/16/09/41/177160941.db2.gz UQNDWBQOBDKTOU-GASCZTMLSA-N 2 0 246.398 2.692 10 0 BFAERP C[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000052484610 177163308 /nfs/dbraw/zinc/16/33/08/177163308.db2.gz GVPKOLHECSZYTD-ZDUSSCGKSA-N 2 0 244.382 2.780 10 0 BFAERP C[C@@H](c1ccco1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666190 177170483 /nfs/dbraw/zinc/17/04/83/177170483.db2.gz QGDOXBIJBKOBKJ-XQQFMLRXSA-N 2 0 236.359 2.803 10 0 BFAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CC1CCCCC1 ZINC000042427271 177200582 /nfs/dbraw/zinc/20/05/82/177200582.db2.gz VGYIESKFFVSTQD-GXTWGEPZSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH3+] ZINC000049694206 177241140 /nfs/dbraw/zinc/24/11/40/177241140.db2.gz DESKPCIAGUFNCR-KORRQRHVSA-N 2 0 248.414 2.624 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@H+](C2(CN)CCCCC2)C1 ZINC000019807806 177311772 /nfs/dbraw/zinc/31/17/72/177311772.db2.gz KSXHODWRQXAHCR-BETUJISGSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1(C)CCCCC1 ZINC000045046052 177327069 /nfs/dbraw/zinc/32/70/69/177327069.db2.gz NFVQOJBLOINVDM-RYUDHWBXSA-N 2 0 210.365 2.521 10 0 BFAERP C[C@@H]1C[C@@H](C[C@@H]2CC[C@@H]([NH3+])[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000022000366 177363600 /nfs/dbraw/zinc/36/36/00/177363600.db2.gz IGSBHTZEJMPDSZ-FYYZZUKCSA-N 2 0 238.419 2.904 10 0 BFAERP C[C@@H]1[C@@H](C)C[C@H]([NH3+])[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592868 177364911 /nfs/dbraw/zinc/36/49/11/177364911.db2.gz UKWBVZXKIFQVBE-XFMPKHEZSA-N 2 0 232.371 2.633 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000400356522 225063609 /nfs/dbraw/zinc/06/36/09/225063609.db2.gz BJWUPPYFXNOKCI-AVGNSLFASA-N 2 0 224.392 2.543 10 0 BFAERP C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400346284 225033822 /nfs/dbraw/zinc/03/38/22/225033822.db2.gz HOAKIRHGVUVPBA-CHWSQXEVSA-N 2 0 236.403 2.711 10 0 BFAERP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400508160 226345227 /nfs/dbraw/zinc/34/52/27/226345227.db2.gz KRMZLOFBGYVVQL-RCBQFDQVSA-N 2 0 244.382 2.725 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400525882 226345715 /nfs/dbraw/zinc/34/57/15/226345715.db2.gz QAKZFCQBGLXXRQ-BJJXKVORSA-N 2 0 244.382 2.652 10 0 BFAERP CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000570077142 323049401 /nfs/dbraw/zinc/04/94/01/323049401.db2.gz FBMXLLKMNWPSAA-OLZOCXBDSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000567645927 326237911 /nfs/dbraw/zinc/23/79/11/326237911.db2.gz JCVLDVWWLHWNNY-STQMWFEESA-N 2 0 226.408 2.790 10 0 BFAERP c1ccc2c(NC[C@H]3CCCC[NH2+]3)cc[nH+]c2c1 ZINC000044493388 487820169 /nfs/dbraw/zinc/82/01/69/487820169.db2.gz AFCSQKCPFUZMPJ-GFCCVEGCSA-N 2 0 241.338 2.789 10 0 BFAERP CCCCC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757127733 582503090 /nfs/dbraw/zinc/50/30/90/582503090.db2.gz HVQYEKMDVJKYES-KBPBESRZSA-N 2 0 224.392 2.783 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757135071 582513592 /nfs/dbraw/zinc/51/35/92/582513592.db2.gz YEBXIPMPCHLBBV-KGLIPLIRSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400501090 533843265 /nfs/dbraw/zinc/84/32/65/533843265.db2.gz IPASNHFNVUJVTN-GXTWGEPZSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H](C[C@@H](C[NH3+])[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238856901 524616491 /nfs/dbraw/zinc/61/64/91/524616491.db2.gz XPOCUETWGWPYKX-VNQPRFMTSA-N 2 0 246.398 2.897 10 0 BFAERP C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000238860509 525082345 /nfs/dbraw/zinc/08/23/45/525082345.db2.gz ZOZDGKPSUAGAMX-WORYOXIGSA-N 2 0 246.398 2.879 10 0 BFAERP CC(C)C(C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400380951 527589005 /nfs/dbraw/zinc/58/90/05/527589005.db2.gz KHLMCZLNOFLWMS-CHWSQXEVSA-N 2 0 226.408 2.502 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400497358 529283067 /nfs/dbraw/zinc/28/30/67/529283067.db2.gz HQCSYVJQFIMGCS-DGAVXFQQSA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400497357 529282870 /nfs/dbraw/zinc/28/28/70/529282870.db2.gz HQCSYVJQFIMGCS-CRWXNKLISA-N 2 0 224.392 2.543 10 0 BFAERP CC(C)[NH2+][C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000070585015 535291210 /nfs/dbraw/zinc/29/12/10/535291210.db2.gz YGJFQVPMSZKXRM-ZDUSSCGKSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126920 582501230 /nfs/dbraw/zinc/50/12/30/582501230.db2.gz HRRSUWBCXJKVMU-HIFRSBDPSA-N 2 0 236.403 2.641 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757128314 582503264 /nfs/dbraw/zinc/50/32/64/582503264.db2.gz KLJCPSIQLQSELS-KGLIPLIRSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757128320 582503447 /nfs/dbraw/zinc/50/34/47/582503447.db2.gz KLJCPSIQLQSELS-UONOGXRCSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127969 582503477 /nfs/dbraw/zinc/50/34/77/582503477.db2.gz IHQYRYLFBZHNDC-YDHLFZDLSA-N 2 0 236.403 2.639 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757129072 586426641 /nfs/dbraw/zinc/42/66/41/586426641.db2.gz KRMQIKXXINFVDR-MELADBBJSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@@H]1N[C@H](c2ccc(C3(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000757206371 586437526 /nfs/dbraw/zinc/43/75/26/586437526.db2.gz AASDIAJHRSNSPP-GLQYFDAESA-N 2 0 244.382 2.878 10 0 BFAERP C[C@@H]1N[C@H](c2ccc(C3(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000757206367 586437573 /nfs/dbraw/zinc/43/75/73/586437573.db2.gz AASDIAJHRSNSPP-CQDKDKBSSA-N 2 0 244.382 2.878 10 0 BFAERP C[C@H]1C[C@H](c2cccc(C[NH3+])c2)[NH2+][C@@H](C)C1 ZINC000757220851 586442869 /nfs/dbraw/zinc/44/28/69/586442869.db2.gz ZQLNREFDEYJFBU-UHIISALHSA-N 2 0 218.344 2.594 10 0 BFAERP C[C@@H]1CC[C@@H](c2ccc(C3CC3)c(C[NH3+])c2)C[NH2+]1 ZINC000757234703 586443179 /nfs/dbraw/zinc/44/31/79/586443179.db2.gz LPXWJZSTUUEVOE-BXUZGUMPSA-N 2 0 244.382 2.878 10 0 BFAERP C[C@H]1CC[C@H](c2ccc(C3CC3)c(C[NH3+])c2)C[NH2+]1 ZINC000757234713 586443387 /nfs/dbraw/zinc/44/33/87/586443387.db2.gz LPXWJZSTUUEVOE-FZMZJTMJSA-N 2 0 244.382 2.878 10 0 BFAERP [NH3+]C[C@H]1CC[NH2+][C@H](c2cscc2C(F)F)C1 ZINC000757235804 586443613 /nfs/dbraw/zinc/44/36/13/586443613.db2.gz MTWKHYKKFNEAAE-XVKPBYJWSA-N 2 0 246.326 2.685 10 0 BFAERP C[C@@H]1CC[NH2+]C[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757243115 586445217 /nfs/dbraw/zinc/44/52/17/586445217.db2.gz ZKQAIWHQVSVHJT-BZNIZROVSA-N 2 0 244.382 2.736 10 0 BFAERP Cc1ccc(-c2cccc(C[NH3+])c2)cc1CC[NH3+] ZINC000757571789 586462452 /nfs/dbraw/zinc/46/24/52/586462452.db2.gz MSRROTVRCVKIQE-UHFFFAOYSA-N 2 0 240.350 2.622 10 0 BFAERP CCC[N@@H+]1CCC=C(c2cccc(C[NH3+])c2)C1 ZINC000757572073 644851120 /nfs/dbraw/zinc/85/11/20/644851120.db2.gz NYVANRFCAMCYMZ-UHFFFAOYSA-N 2 0 230.355 2.644 10 0 BFAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@]12C[C@@H]1CCCC2 ZINC000709161778 712210999 /nfs/dbraw/zinc/21/09/99/712210999.db2.gz HZRLWGGBCUSZOR-APSKQVOWSA-N 2 0 236.403 2.815 10 0 BFAERP CC[C@H](C)[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714749960 712496992 /nfs/dbraw/zinc/49/69/92/712496992.db2.gz JOENZMBPPJORIY-NWDGAFQWSA-N 2 0 212.381 2.624 10 0 BFAERP C[NH2+]CCN(c1cc[nH+]c2ccccc21)C(C)C ZINC000720796972 712866472 /nfs/dbraw/zinc/86/64/72/712866472.db2.gz CIYOBHRBURXAGG-UHFFFAOYSA-N 2 0 243.354 2.669 10 0 BFAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685955295 538900395 /nfs/dbraw/zinc/90/03/95/538900395.db2.gz XJQTYBFEUIBKIB-ZOBORPQBSA-N 2 0 224.392 2.623 10 0 BFAERP Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)oc1C[NH3+] ZINC000052420737 178005875 /nfs/dbraw/zinc/00/58/75/178005875.db2.gz OIKGBXFBECDBLG-QWRGUYRKSA-N 2 0 236.359 2.525 10 0 BFAERP CCC[N@H+](CC)Cc1cc(F)cc(C[NH3+])c1 ZINC000162823537 538924981 /nfs/dbraw/zinc/92/49/81/538924981.db2.gz ZFICFYJDNJIBGP-UHFFFAOYSA-N 2 0 224.323 2.516 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073656110 187329548 /nfs/dbraw/zinc/32/95/48/187329548.db2.gz DONJKILCTURYAC-UONOGXRCSA-N 2 0 226.408 2.885 10 0 BFAERP CCC(CC)[N@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000036789184 168368431 /nfs/dbraw/zinc/36/84/31/168368431.db2.gz JWQKVXGTUBDAKC-UHFFFAOYSA-N 2 0 233.359 2.591 10 0 BFAERP CCC(CC)[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000036788535 168369048 /nfs/dbraw/zinc/36/90/48/168369048.db2.gz GCBQHSFMSWHSEC-CQSZACIVSA-N 2 0 234.387 2.849 10 0 BFAERP CC(C)C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000082343998 187242864 /nfs/dbraw/zinc/24/28/64/187242864.db2.gz MIWRBTJFMVQQHC-LSDHHAIUSA-N 2 0 232.371 2.634 10 0 BFAERP CC[N@@H+]1CCCC12CC[NH+](CC(C)C)CC2 ZINC000096090096 187288595 /nfs/dbraw/zinc/28/85/95/187288595.db2.gz WSUFQQYKIMPMRM-UHFFFAOYSA-N 2 0 224.392 2.593 10 0 BFAERP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CC2CCC1CC2 ZINC000400021662 344228597 /nfs/dbraw/zinc/22/85/97/344228597.db2.gz NCZQFPUMVBXXCY-WUCCLRPBSA-N 2 0 236.403 2.544 10 0 BFAERP Cc1cc([C@H]2C[C@@H]([NH3+])CCN2C)ccc1Cl ZINC000675054013 537890619 /nfs/dbraw/zinc/89/06/19/537890619.db2.gz LJYLKSVFFRRPIM-WCQYABFASA-N 2 0 238.762 2.742 10 0 BFAERP C[C@H](CC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998186 345197618 /nfs/dbraw/zinc/19/76/18/345197618.db2.gz BZPYPQUNPPUBBJ-FMKPAKJESA-N 2 0 246.398 2.707 10 0 BFAERP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)[C@H]1C ZINC000675054272 537894105 /nfs/dbraw/zinc/89/41/05/537894105.db2.gz QZVJSTJUIFHBGM-XJFOESAGSA-N 2 0 224.392 2.624 10 0 BFAERP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000381378456 345754069 /nfs/dbraw/zinc/75/40/69/345754069.db2.gz KMDZLGGDXYVZCX-OLZOCXBDSA-N 2 0 226.408 2.743 10 0 BFAERP CCC[NH+](CCC)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054741 537974869 /nfs/dbraw/zinc/97/48/69/537974869.db2.gz YKKBXEHSVUQWQB-OLZOCXBDSA-N 2 0 212.381 2.626 10 0 BFAERP CCC[NH+](CCC)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675054749 537975336 /nfs/dbraw/zinc/97/53/36/537975336.db2.gz YKKBXEHSVUQWQB-STQMWFEESA-N 2 0 212.381 2.626 10 0 BFAERP C[C@@H]([NH2+]CC1(C)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000580181417 346616797 /nfs/dbraw/zinc/61/67/97/346616797.db2.gz RIIJJNXZRCIWNZ-OLZOCXBDSA-N 2 0 224.392 2.544 10 0 BFAERP Cc1cccc([C@@H]2[C@@H](C[NH3+])CCCC[N@H+]2C)c1 ZINC000070278059 179192153 /nfs/dbraw/zinc/19/21/53/179192153.db2.gz HQKRKZXJFPUZPV-HUUCEWRRSA-N 2 0 232.371 2.727 10 0 BFAERP Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000036127818 179269059 /nfs/dbraw/zinc/26/90/59/179269059.db2.gz UEAKVEKHHFPDMH-HIFRSBDPSA-N 2 0 232.371 2.554 10 0 BFAERP Cc1ccccc1C[N@@H+]1CCC[C@H]1CCC[NH3+] ZINC000104320974 179274165 /nfs/dbraw/zinc/27/41/65/179274165.db2.gz FJWCQFWCYASZDB-OAHLLOKOSA-N 2 0 232.371 2.698 10 0 BFAERP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCCCC1(F)F ZINC000382217425 490136444 /nfs/dbraw/zinc/13/64/44/490136444.db2.gz VCTWTAMXIQTGNU-VXGBXAGGSA-N 2 0 248.361 2.775 10 0 BFAERP CC1CCC(C[NH2+]CCC[NH2+]C2CC2)CC1 ZINC000163429263 350521876 /nfs/dbraw/zinc/52/18/76/350521876.db2.gz PNPGUYICZLPZCK-UHFFFAOYSA-N 2 0 224.392 2.544 10 0 BFAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000054601804 350752677 /nfs/dbraw/zinc/75/26/77/350752677.db2.gz QMLGPIQAELZGKW-MQVJKMGUSA-N 2 0 244.382 2.792 10 0 BFAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000307158310 351509573 /nfs/dbraw/zinc/50/95/73/351509573.db2.gz APCZMORMBBMDBL-ARFHVFGLSA-N 2 0 244.382 2.507 10 0 BFAERP C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)s1 ZINC000016942950 187933225 /nfs/dbraw/zinc/93/32/25/187933225.db2.gz ZRCBZTRICYRZAO-UHFFFAOYSA-N 2 0 238.400 2.844 10 0 BFAERP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000629531193 538107781 /nfs/dbraw/zinc/10/77/81/538107781.db2.gz CZJXSXUAHDILBA-WDEREUQCSA-N 2 0 248.361 2.646 10 0 BFAERP CC(C)([NH3+])CC[N@H+](Cc1ccccc1)C1CC1 ZINC000307726593 353097376 /nfs/dbraw/zinc/09/73/76/353097376.db2.gz DKFYNKLFCDGOGZ-UHFFFAOYSA-N 2 0 232.371 2.778 10 0 BFAERP CCCC1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CC[NH2+]CC1 ZINC000062850946 188013360 /nfs/dbraw/zinc/01/33/60/188013360.db2.gz TYFWHBMCEMXFOY-UONOGXRCSA-N 2 0 236.403 2.641 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000073656082 188288642 /nfs/dbraw/zinc/28/86/42/188288642.db2.gz IDGPGQKRXMCTNE-UONOGXRCSA-N 2 0 224.392 2.735 10 0 BFAERP CC(C)[N@@H+](Cc1ccccc1)C[C@@H](C)CC[NH3+] ZINC000130602546 363437138 /nfs/dbraw/zinc/43/71/38/363437138.db2.gz OMITXZJZBHXENN-AWEZNQCLSA-N 2 0 234.387 2.882 10 0 BFAERP CCN1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000040501958 358492993 /nfs/dbraw/zinc/49/29/93/358492993.db2.gz DMJPIDYKQZIUAW-MRXNPFEDSA-N 2 0 246.398 2.877 10 0 BFAERP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CC1(C)C ZINC000397665527 355333439 /nfs/dbraw/zinc/33/34/39/355333439.db2.gz OYFJSZNMWJQQAY-TUUUFIMRSA-N 2 0 224.392 2.671 10 0 BFAERP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414804848 191576026 /nfs/dbraw/zinc/57/60/26/191576026.db2.gz PDPCOSHNRAVDNW-KWCYVHTRSA-N 2 0 224.392 2.672 10 0 BFAERP CCN1CC[C@H]([NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000389267459 355943466 /nfs/dbraw/zinc/94/34/66/355943466.db2.gz QDCJBZJWKRRLTK-CFVMTHIKSA-N 2 0 236.403 2.663 10 0 BFAERP CCC[NH+](CCC)C1CC2(C1)CC[NH2+]CC2 ZINC000675069246 538498620 /nfs/dbraw/zinc/49/86/20/538498620.db2.gz DGWAKAVERPLMOX-UHFFFAOYSA-N 2 0 224.392 2.641 10 0 BFAERP CC1(C)CC[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000257767769 538754716 /nfs/dbraw/zinc/75/47/16/538754716.db2.gz FXSABHAGXXKWPC-CHWSQXEVSA-N 2 0 224.392 2.626 10 0 BFAERP CCN1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189078820 357602682 /nfs/dbraw/zinc/60/26/82/357602682.db2.gz QKAGHIWPHKCRPQ-ZIAGYGMSSA-N 2 0 236.403 2.783 10 0 BFAERP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000390586869 357922156 /nfs/dbraw/zinc/92/21/56/357922156.db2.gz YIEGXIINZMXEQP-STQMWFEESA-N 2 0 226.408 2.743 10 0 BFAERP CC[C@H]1CC[C@@H](CC[NH+]2CCCCC2)[N@H+](C)C1 ZINC000584652399 358307555 /nfs/dbraw/zinc/30/75/55/358307555.db2.gz JOLHHPBOZQCLKE-GJZGRUSLSA-N 2 0 238.419 2.983 10 0 BFAERP C[C@@H]([NH3+])C[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000228269972 358372316 /nfs/dbraw/zinc/37/23/16/358372316.db2.gz BMMKQPXRYQZOPO-MNOVXSKESA-N 2 0 229.327 2.773 10 0 BFAERP CC1CCC(C[NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000089575466 360027686 /nfs/dbraw/zinc/02/76/86/360027686.db2.gz QJQKYPJAEUUOIV-UHFFFAOYSA-N 2 0 240.435 2.990 10 0 BFAERP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576338 360027886 /nfs/dbraw/zinc/02/78/86/360027886.db2.gz FMVHKTRNCZBSAQ-NRXISQOPSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000629555336 361446153 /nfs/dbraw/zinc/44/61/53/361446153.db2.gz UZHWAXDTTAWGCE-MELADBBJSA-N 2 0 236.403 2.544 10 0 BFAERP [NH3+]C1CCC([N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000055144681 181341146 /nfs/dbraw/zinc/34/11/46/181341146.db2.gz NEGANWJWLIRYBE-FHERZECASA-N 2 0 244.382 2.746 10 0 BFAERP CCC[NH+](CCC)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725269744 541339045 /nfs/dbraw/zinc/33/90/45/541339045.db2.gz CPDQTKWZFGBZMY-MOKVOYLWSA-N 2 0 224.392 2.768 10 0 BFAERP C[NH+](C)CC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000006371979 369046232 /nfs/dbraw/zinc/04/62/32/369046232.db2.gz OKILUWJRJYUHTO-OAHLLOKOSA-N 2 0 228.339 2.791 10 0 BFAERP CCCC[NH+](CCCC)Cc1cccnc1C[NH3+] ZINC000061656497 168806561 /nfs/dbraw/zinc/80/65/61/168806561.db2.gz MOJJMXDSKKRWBC-UHFFFAOYSA-N 2 0 249.402 2.943 10 0 BFAERP CCC[N@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC1 ZINC000055022714 169089685 /nfs/dbraw/zinc/08/96/85/169089685.db2.gz FYBBZQSMGQIVMP-AWEZNQCLSA-N 2 0 245.370 2.928 10 0 BFAERP CCC[NH+](CCC)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000053862561 169149115 /nfs/dbraw/zinc/14/91/15/169149115.db2.gz LJJJZRVAEYFBQZ-RDBSUJKOSA-N 2 0 226.408 2.872 10 0 BFAERP CCC[NH+](CCC)CC(CC)(CC)C[NH3+] ZINC000051211233 169147301 /nfs/dbraw/zinc/14/73/01/169147301.db2.gz YTEIEEAIJODSSJ-UHFFFAOYSA-N 2 0 214.397 2.874 10 0 BFAERP CCC[NH+](CCC)CC[C@H]([NH3+])C(C)(C)C ZINC000054027122 169147821 /nfs/dbraw/zinc/14/78/21/169147821.db2.gz IULHEALVYRKWPM-LBPRGKRZSA-N 2 0 214.397 2.872 10 0 BFAERP CCC[NH+](CCC)C[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000053862565 169148618 /nfs/dbraw/zinc/14/86/18/169148618.db2.gz LJJJZRVAEYFBQZ-MJBXVCDLSA-N 2 0 226.408 2.872 10 0 BFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)C2CC2)CC1 ZINC000035732759 169191150 /nfs/dbraw/zinc/19/11/50/169191150.db2.gz VCROAMVATBMFRS-QWHCGFSZSA-N 2 0 238.419 2.885 10 0 BFAERP c1cc(C[NH+]2CCCC2)c(C[NH2+]C2CC2)s1 ZINC000045205674 183340483 /nfs/dbraw/zinc/34/04/83/183340483.db2.gz OCGUPXPQWWJLFR-UHFFFAOYSA-N 2 0 236.384 2.596 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073654099 169209215 /nfs/dbraw/zinc/20/92/15/169209215.db2.gz OIENUARUPLILPL-ZBFHGGJFSA-N 2 0 246.398 2.897 10 0 BFAERP c1ccc(CC[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128726 183393681 /nfs/dbraw/zinc/39/36/81/183393681.db2.gz LPBCGKLXVLPNJA-UHFFFAOYSA-N 2 0 246.398 2.695 10 0 BFAERP CCC[NH2+]Cc1ccc(C[N@H+](C)C2CC2)cc1 ZINC000052445506 169267091 /nfs/dbraw/zinc/26/70/91/169267091.db2.gz LZUNYHFHQCRFSX-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP c1ccc(C[N@@H+]2CCC[C@@H]3CC[NH2+]CC[C@H]32)cc1 ZINC000096984992 183398869 /nfs/dbraw/zinc/39/88/69/183398869.db2.gz IGDDBRCILDMGLA-HZPDHXFCSA-N 2 0 244.382 2.651 10 0 BFAERP c1ccc(C[N@@H+]2CCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000096985038 183399006 /nfs/dbraw/zinc/39/90/06/183399006.db2.gz OLCFMFDATJAITK-MRXNPFEDSA-N 2 0 244.382 2.651 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH+](CC)CC)[C@@H](C)C1 ZINC000226858920 134370472 /nfs/dbraw/zinc/37/04/72/134370472.db2.gz QMNXREIWCISFBQ-KBPBESRZSA-N 2 0 226.408 2.839 10 0 BFAERP C[C@@H](C[C@@H](C[NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC000068591372 384002749 /nfs/dbraw/zinc/00/27/49/384002749.db2.gz JLVMJCURVBWAAI-BBRMVZONSA-N 2 0 246.398 2.755 10 0 BFAERP C[C@H]1C[C@H]([NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592741 384003141 /nfs/dbraw/zinc/00/31/41/384003141.db2.gz ZJJABKUGECYXQM-XFMPKHEZSA-N 2 0 232.371 2.633 10 0 BFAERP C[C@H]([NH2+]CC1(C)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000569566617 384255812 /nfs/dbraw/zinc/25/58/12/384255812.db2.gz DVKSAJXOFNJQOJ-KBPBESRZSA-N 2 0 238.419 2.935 10 0 BFAERP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335662745 384470146 /nfs/dbraw/zinc/47/01/46/384470146.db2.gz LWXODADFTCPMCF-VXGBXAGGSA-N 2 0 246.345 2.544 10 0 BFAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC2(CCCC2)C1 ZINC000162078129 384549171 /nfs/dbraw/zinc/54/91/71/384549171.db2.gz WSRQWWGYACDHTC-UHFFFAOYSA-N 2 0 236.403 2.738 10 0 BFAERP CCC[C@H](C)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020087871 384574360 /nfs/dbraw/zinc/57/43/60/384574360.db2.gz RXFWMSAQFCYRFP-LBPRGKRZSA-N 2 0 214.397 2.600 10 0 BFAERP CC[C@H]([NH3+])CNc1cc(C)[nH+]c2ccccc12 ZINC000104210945 384675280 /nfs/dbraw/zinc/67/52/80/384675280.db2.gz KNABQOSQENQNPW-NSHDSACASA-N 2 0 229.327 2.692 10 0 BFAERP CC[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000310378519 384803640 /nfs/dbraw/zinc/80/36/40/384803640.db2.gz PBQRZUVSSOQVRO-APIJFGDWSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H](CCN1CC[C@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000310155275 384864869 /nfs/dbraw/zinc/86/48/69/384864869.db2.gz GWHVSGLTTHFXRJ-NFAWXSAZSA-N 2 0 232.371 2.602 10 0 BFAERP C[C@H](CCN1CC[C@@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000310155278 384865743 /nfs/dbraw/zinc/86/57/43/384865743.db2.gz GWHVSGLTTHFXRJ-VNHYZAJKSA-N 2 0 232.371 2.602 10 0 BFAERP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000258724797 384938624 /nfs/dbraw/zinc/93/86/24/384938624.db2.gz JEVBVXMWZIFRQK-QMMMGPOBSA-N 2 0 247.169 2.820 10 0 BFAERP CC[NH+](CC)CCC[C@@H]([NH3+])c1ccc(F)cc1 ZINC000058826699 385027600 /nfs/dbraw/zinc/02/76/00/385027600.db2.gz IWNIVIKVBAMIJY-CQSZACIVSA-N 2 0 238.350 2.948 10 0 BFAERP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]CC3)cc1 ZINC000096985139 385313781 /nfs/dbraw/zinc/31/37/81/385313781.db2.gz WJBVSOFJZOEPOL-MRXNPFEDSA-N 2 0 244.382 2.652 10 0 BFAERP CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)C[NH3+] ZINC000336677706 385610977 /nfs/dbraw/zinc/61/09/77/385610977.db2.gz QGRCNIRMWNJFIE-RFQIPJPRSA-N 2 0 226.408 2.632 10 0 BFAERP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000519596622 386497163 /nfs/dbraw/zinc/49/71/63/386497163.db2.gz UBEPZBHOXNXTIL-AAVRWANBSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000520394172 386661322 /nfs/dbraw/zinc/66/13/22/386661322.db2.gz PNJHIKNDYISGSL-TUVASFSCSA-N 2 0 238.419 2.933 10 0 BFAERP C1CC1[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414837114 386735555 /nfs/dbraw/zinc/73/55/55/386735555.db2.gz VOKWOYWEPHJZBL-GZNJTBKBSA-N 2 0 248.414 2.828 10 0 BFAERP CC(C)c1cccc([C@H]([NH3+])CCC[NH3+])c1 ZINC000575438161 387103909 /nfs/dbraw/zinc/10/39/09/387103909.db2.gz DLBFKADXUUEOBG-CYBMUJFWSA-N 2 0 206.333 2.549 10 0 BFAERP Cc1cc(C)c([C@H]([NH3+])CCCC[NH3+])c(C)c1 ZINC000575438809 387119712 /nfs/dbraw/zinc/11/97/12/387119712.db2.gz ATFHITKICYHENT-CYBMUJFWSA-N 2 0 220.360 2.741 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000575439104 387122401 /nfs/dbraw/zinc/12/24/01/387122401.db2.gz SNVHSIDVUYRFHK-SNVBAGLBSA-N 2 0 230.714 2.608 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000575439532 387124350 /nfs/dbraw/zinc/12/43/50/387124350.db2.gz FAPLMMZAXMPKIT-NSHDSACASA-N 2 0 230.714 2.608 10 0 BFAERP Cc1cccc(Cl)c1[C@H]([NH3+])CCCC[NH3+] ZINC000575439761 387125623 /nfs/dbraw/zinc/12/56/23/387125623.db2.gz VXQWNPVQNDPENF-LLVKDONJSA-N 2 0 226.751 2.777 10 0 BFAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000516450394 387509409 /nfs/dbraw/zinc/50/94/09/387509409.db2.gz KQFGGHFRCDDPCV-DZGCQCFKSA-N 2 0 236.403 2.855 10 0 BFAERP CCc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422748965 387652941 /nfs/dbraw/zinc/65/29/41/387652941.db2.gz WWVPVZGXLJBYAQ-VXGBXAGGSA-N 2 0 232.371 2.508 10 0 BFAERP C1CC(C([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCC2)C1 ZINC000423212572 387994663 /nfs/dbraw/zinc/99/46/63/387994663.db2.gz JWKRPRPIMPLXHM-YIONKMFJSA-N 2 0 248.414 2.828 10 0 BFAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000423221306 388002168 /nfs/dbraw/zinc/00/21/68/388002168.db2.gz ZFRZYZNCAKRBSY-KYTZWMPUSA-N 2 0 236.384 2.682 10 0 BFAERP C[C@@H](CC[NH+](C)C)[NH2+]CC1CCC(C)CC1 ZINC000084339381 388076250 /nfs/dbraw/zinc/07/62/50/388076250.db2.gz RRVHXTXKIJVQQJ-MOKVOYLWSA-N 2 0 226.408 2.743 10 0 BFAERP C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000643492776 388091621 /nfs/dbraw/zinc/09/16/21/388091621.db2.gz CYKDVBXPNMBJSU-CHWSQXEVSA-N 2 0 238.419 2.790 10 0 BFAERP CCC1CCC([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000310359064 388481403 /nfs/dbraw/zinc/48/14/03/388481403.db2.gz JGWJIVBLBGLCJB-XSCHDIRWSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])cc1Cl ZINC000575439431 388629920 /nfs/dbraw/zinc/62/99/20/388629920.db2.gz KTKFYQQTLFUPRD-GFCCVEGCSA-N 2 0 226.751 2.777 10 0 BFAERP [NH3+]C1CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000530224294 388633975 /nfs/dbraw/zinc/63/39/75/388633975.db2.gz WEAZRXOMAFBURY-IYXRBSQSSA-N 2 0 222.376 2.592 10 0 BFAERP [NH3+]C1CCC([NH2+]CCCC2CCCC2)CC1 ZINC000225113813 134351250 /nfs/dbraw/zinc/35/12/50/134351250.db2.gz RRUAXAIBEYFARL-UHFFFAOYSA-N 2 0 224.392 2.816 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000164423135 135252102 /nfs/dbraw/zinc/25/21/02/135252102.db2.gz RDDJMNYHPYIXGR-ZIAGYGMSSA-N 2 0 226.408 2.885 10 0 BFAERP [NH3+]CCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000262948728 135325175 /nfs/dbraw/zinc/32/51/75/135325175.db2.gz JIQMPMDHURTKHJ-HNNXBMFYSA-N 2 0 243.354 2.654 10 0 BFAERP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517504 398118804 /nfs/dbraw/zinc/11/88/04/398118804.db2.gz GNQXTUZAQKUBIC-KBMXLJTQSA-N 2 0 246.398 2.971 10 0 BFAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000052545644 167103180 /nfs/dbraw/zinc/10/31/80/167103180.db2.gz ZKMDVLSWHTXOKK-ZDUSSCGKSA-N 2 0 238.375 2.878 10 0 BFAERP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012604 167114396 /nfs/dbraw/zinc/11/43/96/167114396.db2.gz TZNNXASWEMWYDQ-CYBMUJFWSA-N 2 0 224.392 2.639 10 0 BFAERP Cc1ccc(C)c(C[NH2+]C(C)(C)CC[NH3+])c1 ZINC000258862040 322879327 /nfs/dbraw/zinc/87/93/27/322879327.db2.gz OMTCNWMOAVXYHE-UHFFFAOYSA-N 2 0 220.360 2.520 10 0 BFAERP CC(C)C[NH2+]CC(C)(C)C[N@H+](C)CC1CCC1 ZINC000061484404 167002474 /nfs/dbraw/zinc/00/24/74/167002474.db2.gz SWSPBNWEIGQQKA-UHFFFAOYSA-N 2 0 240.435 2.990 10 0 BFAERP CC(C)[NH2+]CC1(C[N@H+](C)CC2CC2)CCCC1 ZINC000051249718 167100579 /nfs/dbraw/zinc/10/05/79/167100579.db2.gz KCOPVUVIWJJKHO-UHFFFAOYSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH+](CC)C[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000041264667 169785373 /nfs/dbraw/zinc/78/53/73/169785373.db2.gz HQVFGIBJASENNG-OAHLLOKOSA-N 2 0 234.387 2.688 10 0 BFAERP Cc1cc(NCC[NH2+]C2CC2)c2ccccc2[nH+]1 ZINC000054267793 411263782 /nfs/dbraw/zinc/26/37/82/411263782.db2.gz ISAYYOLLOCENDW-UHFFFAOYSA-N 2 0 241.338 2.707 10 0 BFAERP CC1([NH2+]CC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000054309234 168062200 /nfs/dbraw/zinc/06/22/00/168062200.db2.gz RULNAALELBARBP-ZDUSSCGKSA-N 2 0 224.392 2.689 10 0 BFAERP CC1CCC([N@H+](C)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000042472700 168159783 /nfs/dbraw/zinc/15/97/83/168159783.db2.gz ISLXJSLKCACDDK-HHTDUIENSA-N 2 0 224.392 2.624 10 0 BFAERP CC1CCC([N@H+](C)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000042472698 168160028 /nfs/dbraw/zinc/16/00/28/168160028.db2.gz ISLXJSLKCACDDK-FKZOYECMSA-N 2 0 224.392 2.624 10 0 BFAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073655848 170021229 /nfs/dbraw/zinc/02/12/29/170021229.db2.gz GKEFCBIUTIWLNC-ZFWWWQNUSA-N 2 0 232.371 2.649 10 0 BFAERP CC[NH2+]CCN(CC)c1cc[nH+]c2ccccc21 ZINC000053707578 170113322 /nfs/dbraw/zinc/11/33/22/170113322.db2.gz LYNXAJBZYAHDLK-UHFFFAOYSA-N 2 0 243.354 2.671 10 0 BFAERP CC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346134 170118872 /nfs/dbraw/zinc/11/88/72/170118872.db2.gz SWTPGRNVPFIYAV-GFCCVEGCSA-N 2 0 238.350 2.503 10 0 BFAERP CC[NH2+]C[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000053030883 170122618 /nfs/dbraw/zinc/12/26/18/170122618.db2.gz VNZHRFLZNCJGKE-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)CC)c(C)o1 ZINC000052444287 170125185 /nfs/dbraw/zinc/12/51/85/170125185.db2.gz QRYKOTKCCXCCMX-NSHDSACASA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000020146486 170126639 /nfs/dbraw/zinc/12/66/39/170126639.db2.gz SGMXRGHLAXGIEH-UHFFFAOYSA-N 2 0 220.360 2.638 10 0 BFAERP CC[NH2+]Cc1ccoc1C[NH+]1CCC(C)CC1 ZINC000052376935 170129708 /nfs/dbraw/zinc/12/97/08/170129708.db2.gz GAYLNORECMZQPM-UHFFFAOYSA-N 2 0 236.359 2.621 10 0 BFAERP CC[NH2+][C@@H](C)CCC[NH+]1Cc2ccccc2C1 ZINC000050910825 170139455 /nfs/dbraw/zinc/13/94/55/170139455.db2.gz WAPSZLZZSXADAR-ZDUSSCGKSA-N 2 0 232.371 2.780 10 0 BFAERP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC000053870079 170150154 /nfs/dbraw/zinc/15/01/54/170150154.db2.gz AVFICXIWBNALKF-HUUCEWRRSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000061822432 170151695 /nfs/dbraw/zinc/15/16/95/170151695.db2.gz ORVNDACZASEICM-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2)C[C@@H]1C ZINC000049712997 170151839 /nfs/dbraw/zinc/15/18/39/170151839.db2.gz CIMRMVOJKNURFY-GOEBONIOSA-N 2 0 246.398 2.815 10 0 BFAERP CC[C@H](CC(F)F)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000662266520 412057861 /nfs/dbraw/zinc/05/78/61/412057861.db2.gz ICIXVXLQVCYBIC-NEPJUHHUSA-N 2 0 248.361 2.742 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](C[N@@H+]2CC[C@H](C)C2)C1 ZINC000053870368 171055819 /nfs/dbraw/zinc/05/58/19/171055819.db2.gz OSNBMIBPGXVMSR-XGUBFFRZSA-N 2 0 238.419 2.743 10 0 BFAERP CC[C@H](C)N(C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971354 171309055 /nfs/dbraw/zinc/30/90/55/171309055.db2.gz NRWAMHSOMLUSBJ-MISXGVKJSA-N 2 0 238.350 2.944 10 0 BFAERP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000665236369 412176546 /nfs/dbraw/zinc/17/65/46/412176546.db2.gz LKLBYPVRIXMUOL-AVGNSLFASA-N 2 0 226.408 2.789 10 0 BFAERP C[N@H+](CCC(N)=[NH2+])Cc1cccc2ccccc21 ZINC000039046728 172667200 /nfs/dbraw/zinc/66/72/00/172667200.db2.gz SAKOXGAPCDBJKB-UHFFFAOYSA-N 2 0 241.338 2.598 10 0 BFAERP C[N@H+](Cc1cccc(C(N)=[NH2+])c1)C1CCCCC1 ZINC000019503213 172860025 /nfs/dbraw/zinc/86/00/25/172860025.db2.gz FYRUJTVUAZOHKL-UHFFFAOYSA-N 2 0 245.370 2.735 10 0 BFAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1CCCCC1 ZINC000049633300 173004451 /nfs/dbraw/zinc/00/44/51/173004451.db2.gz TWDPDUJZADGUAX-CQSZACIVSA-N 2 0 224.392 2.783 10 0 BFAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCc1ccccc1 ZINC000049633302 173005843 /nfs/dbraw/zinc/00/58/43/173005843.db2.gz FWJZNYXNHXMROY-MRXNPFEDSA-N 2 0 246.398 2.693 10 0 BFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC1CCCC1)C2 ZINC000037739322 173206504 /nfs/dbraw/zinc/20/65/04/173206504.db2.gz KLKVVDMWBIDLAV-GOOCMWNKSA-N 2 0 236.403 2.782 10 0 BFAERP C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000049526075 173324578 /nfs/dbraw/zinc/32/45/78/173324578.db2.gz YEYXGPFRKCOVPL-ZDUSSCGKSA-N 2 0 232.371 2.740 10 0 BFAERP C[NH2+]CC1(C[N@H+](C)Cc2ccccc2)CCCC1 ZINC000051212039 173337977 /nfs/dbraw/zinc/33/79/77/173337977.db2.gz FSQUAWBVMQEILR-UHFFFAOYSA-N 2 0 246.398 2.898 10 0 BFAERP C[NH2+]CC1(C[NH+]2CCCCCC2)CCCC1 ZINC000051210338 173337993 /nfs/dbraw/zinc/33/79/93/173337993.db2.gz QCMSUUMATARAFD-UHFFFAOYSA-N 2 0 224.392 2.642 10 0 BFAERP C[NH2+]CCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095075983 173345247 /nfs/dbraw/zinc/34/52/47/173345247.db2.gz PMDNLNLSJNPXHC-UHFFFAOYSA-N 2 0 246.398 2.898 10 0 BFAERP C[NH2+]CCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000062019094 173345482 /nfs/dbraw/zinc/34/54/82/173345482.db2.gz VJOHSPAYGURODN-LBPRGKRZSA-N 2 0 238.350 2.818 10 0 BFAERP C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425342 173349418 /nfs/dbraw/zinc/34/94/18/173349418.db2.gz PHXKLXFUNZVSEC-GFCCVEGCSA-N 2 0 238.350 2.646 10 0 BFAERP C[NH2+]C[C@@H]1CCCN1CCCc1ccc(C)cc1 ZINC000039781813 173368998 /nfs/dbraw/zinc/36/89/98/173368998.db2.gz KMBHIUFYAROAJM-INIZCTEOSA-N 2 0 246.398 2.611 10 0 BFAERP C[NH2+]C[C@@](C)(C[N@H+](C)C(C)C)c1ccccc1 ZINC000051210950 173372287 /nfs/dbraw/zinc/37/22/87/173372287.db2.gz CLYAKPMPHUTPGK-HNNXBMFYSA-N 2 0 234.387 2.504 10 0 BFAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000053031909 173382035 /nfs/dbraw/zinc/38/20/35/173382035.db2.gz BQCRBSLHPAEUMC-NWDGAFQWSA-N 2 0 238.400 2.659 10 0 BFAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCCC2)oc1C ZINC000052444733 173386809 /nfs/dbraw/zinc/38/68/09/173386809.db2.gz LEPKXCLYPMGMNY-UHFFFAOYSA-N 2 0 236.359 2.682 10 0 BFAERP COc1cccc([C@@H](CN)[N@H+](C)C2CCCC2)c1 ZINC000037084100 175288126 /nfs/dbraw/zinc/28/81/26/175288126.db2.gz NRWPSIKPXDWZCS-OAHLLOKOSA-N 2 0 248.370 2.569 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000035731273 176073720 /nfs/dbraw/zinc/07/37/20/176073720.db2.gz SRTRUOKCHVSCLA-UKRRQHHQSA-N 2 0 232.371 2.603 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000021953168 176073837 /nfs/dbraw/zinc/07/38/37/176073837.db2.gz NLRHNZPDJJMPKY-GFCCVEGCSA-N 2 0 218.344 2.520 10 0 BFAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841868 176087049 /nfs/dbraw/zinc/08/70/49/176087049.db2.gz LMTCDEUWEIIYOI-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071249777 176102381 /nfs/dbraw/zinc/10/23/81/176102381.db2.gz IPMLGEPMODIPTO-LLVKDONJSA-N 2 0 236.334 2.516 10 0 BFAERP C[C@@H]1CCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055016246 176109742 /nfs/dbraw/zinc/10/97/42/176109742.db2.gz HOMLBWUTRBVTEF-OCCSQVGLSA-N 2 0 218.344 2.561 10 0 BFAERP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058081513 176116615 /nfs/dbraw/zinc/11/66/15/176116615.db2.gz YHOBHJWFYLLUOD-MQYQWHSLSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1CC[N@@H+](C2CCCCCC2)CCC[NH2+]1 ZINC000049665827 176167042 /nfs/dbraw/zinc/16/70/42/176167042.db2.gz YSGHAIMAJLCPOL-CYBMUJFWSA-N 2 0 224.392 2.783 10 0 BFAERP C[C@@H]1CC[N@H+](CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000051249952 176167850 /nfs/dbraw/zinc/16/78/50/176167850.db2.gz RKLNLZUCRAXDDA-CYBMUJFWSA-N 2 0 236.403 2.641 10 0 BFAERP C[C@@H]1C([NH3+])[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592753 177060591 /nfs/dbraw/zinc/06/05/91/177060591.db2.gz ZOZDGKPSUAGAMX-HZWJRBNISA-N 2 0 246.398 2.879 10 0 BFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000050563631 177101307 /nfs/dbraw/zinc/10/13/07/177101307.db2.gz JAKVCJYYUINFEH-QWHCGFSZSA-N 2 0 232.371 2.766 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000022221978 177116768 /nfs/dbraw/zinc/11/67/68/177116768.db2.gz BKKDFQGYKDYOQB-BETUJISGSA-N 2 0 232.371 2.908 10 0 BFAERP C[C@H]1CCC[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000026741657 177128460 /nfs/dbraw/zinc/12/84/60/177128460.db2.gz LHSNIQNSBQTYIU-LSDHHAIUSA-N 2 0 238.419 2.840 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1CC1CCC([NH3+])CC1 ZINC000037482405 177131064 /nfs/dbraw/zinc/13/10/64/177131064.db2.gz LSPVACRSSCXIHB-FEPKRQSRSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1CC[C@@H]1CCCC[NH2+]1 ZINC000034972519 177131493 /nfs/dbraw/zinc/13/14/93/177131493.db2.gz RRFNQQSPWKMWKZ-IHRRRGAJSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H]1CC[NH2+][C@H](CCCC[NH+]2CCCC2)C1 ZINC000039110692 177176534 /nfs/dbraw/zinc/17/65/34/177176534.db2.gz JHDUVXMQMAGQPX-UONOGXRCSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CCC2CCCC2)C1 ZINC000049666902 177285798 /nfs/dbraw/zinc/28/57/98/177285798.db2.gz DANFFYROHFOVGT-OKILXGFUSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@H]1C[C@H](C[C@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000022000374 177325418 /nfs/dbraw/zinc/32/54/18/177325418.db2.gz IGSBHTZEJMPDSZ-CTTWBBHYSA-N 2 0 238.419 2.904 10 0 BFAERP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400758932 226351610 /nfs/dbraw/zinc/35/16/10/226351610.db2.gz XSHXOVHESPVLDU-LZWOXQAQSA-N 2 0 246.398 2.514 10 0 BFAERP CC1CCC(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000251962803 487808969 /nfs/dbraw/zinc/80/89/69/487808969.db2.gz XSAGVPKPGGNXRG-HHTDUIENSA-N 2 0 224.392 2.624 10 0 BFAERP CC(C)CC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000565827695 325961063 /nfs/dbraw/zinc/96/10/63/325961063.db2.gz AWYJYXFBCYJUGD-KBPBESRZSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000568988897 326383758 /nfs/dbraw/zinc/38/37/58/326383758.db2.gz ZBBRYUMDAJSCOQ-TUAOUCFPSA-N 2 0 246.345 2.542 10 0 BFAERP CC(C)CC1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000391791780 488013298 /nfs/dbraw/zinc/01/32/98/488013298.db2.gz BKOSQPVHECXEOA-UHFFFAOYSA-N 2 0 224.392 2.672 10 0 BFAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012244 488071928 /nfs/dbraw/zinc/07/19/28/488071928.db2.gz VMWSQEZYGAZBKQ-UONOGXRCSA-N 2 0 232.371 2.679 10 0 BFAERP CCCCCC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757129093 582504686 /nfs/dbraw/zinc/50/46/86/582504686.db2.gz KRUQOKVZCCLUGV-UHFFFAOYSA-N 2 0 224.392 2.785 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400500212 533813890 /nfs/dbraw/zinc/81/38/90/533813890.db2.gz BVQADTUNIWQRMH-UPJWGTAASA-N 2 0 226.408 2.789 10 0 BFAERP C[C@H]([NH2+][C@@H](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400477653 533972222 /nfs/dbraw/zinc/97/22/22/533972222.db2.gz DSSRGWCCQFVCQS-SGMGOOAPSA-N 2 0 224.392 2.543 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH2+]C(C)C)C[C@H]1C ZINC000252475373 520595631 /nfs/dbraw/zinc/59/56/31/520595631.db2.gz ZDXRLQUXCNOFTA-OLZOCXBDSA-N 2 0 212.381 2.637 10 0 BFAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000242495579 521721624 /nfs/dbraw/zinc/72/16/24/521721624.db2.gz GKEFCBIUTIWLNC-HIFRSBDPSA-N 2 0 232.371 2.649 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000247859924 525247605 /nfs/dbraw/zinc/24/76/05/525247605.db2.gz ZJJABKUGECYXQM-UKTARXLSSA-N 2 0 232.371 2.633 10 0 BFAERP CCC1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400749754 527859974 /nfs/dbraw/zinc/85/99/74/527859974.db2.gz VHAHFEGIPKCAIT-ABXWRUBCSA-N 2 0 224.392 2.685 10 0 BFAERP CC(C)C[N@@H+]1C[C@@H]2CCC[C@@H](C[NH+](C)C)[C@H]2C1 ZINC000503720872 528027543 /nfs/dbraw/zinc/02/75/43/528027543.db2.gz WKDTVTPLLXPBOO-SOUVJXGZSA-N 2 0 238.419 2.552 10 0 BFAERP CCCC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400455030 528061868 /nfs/dbraw/zinc/06/18/68/528061868.db2.gz PRLYOXNFLJOQIU-QWHCGFSZSA-N 2 0 224.392 2.544 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858188 534949050 /nfs/dbraw/zinc/94/90/50/534949050.db2.gz XOMLVCHCRRGORR-UONOGXRCSA-N 2 0 224.392 2.593 10 0 BFAERP CC(C)[NH+](C(C)C)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675052978 537861559 /nfs/dbraw/zinc/86/15/59/537861559.db2.gz DAGLSBQCNKFLDS-CHWSQXEVSA-N 2 0 212.381 2.623 10 0 BFAERP C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127986 582503560 /nfs/dbraw/zinc/50/35/60/582503560.db2.gz ILBDTSFFOUFXBO-VNHYZAJKSA-N 2 0 236.403 2.782 10 0 BFAERP C[C@@H](C1CCC1)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127967 582503622 /nfs/dbraw/zinc/50/36/22/582503622.db2.gz IHQYRYLFBZHNDC-KCQAQPDRSA-N 2 0 236.403 2.639 10 0 BFAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129183 586425980 /nfs/dbraw/zinc/42/59/80/586425980.db2.gz KVPVSJYEQRWNOB-MGPQQGTHSA-N 2 0 224.392 2.637 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757131115 586426530 /nfs/dbraw/zinc/42/65/30/586426530.db2.gz PILGFWBOIHHMLK-GXTWGEPZSA-N 2 0 224.392 2.782 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135280 586426869 /nfs/dbraw/zinc/42/68/69/586426869.db2.gz ZGVKGVINJVNHKC-TZMCWYRMSA-N 2 0 224.392 2.639 10 0 BFAERP CC1(c2ccc([C@@H]3CC[C@@H](CN)[NH2+]C3)cc2)CC1 ZINC000757206759 586437273 /nfs/dbraw/zinc/43/72/73/586437273.db2.gz AMZXPDIZXMPEAZ-HIFRSBDPSA-N 2 0 244.382 2.532 10 0 BFAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757219265 586442102 /nfs/dbraw/zinc/44/21/02/586442102.db2.gz WHJBCEFAIRGYGD-IFUGULHKSA-N 2 0 243.354 2.556 10 0 BFAERP C[C@@H]1C[C@@H](c2ccc(C3CC3)c(C[NH3+])c2)CC[NH2+]1 ZINC000757243106 586445123 /nfs/dbraw/zinc/44/51/23/586445123.db2.gz ZKDJGZZUNJTRIA-RISCZKNCSA-N 2 0 244.382 2.878 10 0 BFAERP CC[C@@]1([NH3+])CC=C(c2cccc(C[NH3+])c2)CC1 ZINC000757571681 586462571 /nfs/dbraw/zinc/46/25/71/586462571.db2.gz MASHKYATHJGZOH-OAHLLOKOSA-N 2 0 230.355 2.820 10 0 BFAERP [NH3+][C@@H]1CC[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000227642461 635452734 /nfs/dbraw/zinc/45/27/34/635452734.db2.gz NYDGUOYKHOMAAF-NWDGAFQWSA-N 2 0 241.338 2.774 10 0 BFAERP Cc1[nH+]ccc(NC[C@@H]2CC[C@H]([NH3+])C2)c1Cl ZINC000309404274 633020823 /nfs/dbraw/zinc/02/08/23/633020823.db2.gz UTGCGCJREFQAKS-ZJUUUORDSA-N 2 0 239.750 2.583 10 0 BFAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)C(C)(C)C ZINC000162702630 634293818 /nfs/dbraw/zinc/29/38/18/634293818.db2.gz COTSWCUJBXCMTJ-VOMCLLRMSA-N 2 0 212.381 2.528 10 0 BFAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)C(C)(C)C ZINC000162702506 634294456 /nfs/dbraw/zinc/29/44/56/634294456.db2.gz COTSWCUJBXCMTJ-UNXYVOJBSA-N 2 0 212.381 2.528 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132629 643258790 /nfs/dbraw/zinc/25/87/90/643258790.db2.gz ROJXGNDTUUGSQA-RDBSUJKOSA-N 2 0 224.392 2.639 10 0 BFAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000084217550 644421035 /nfs/dbraw/zinc/42/10/35/644421035.db2.gz RVXBCNOONLEFSA-GXTWGEPZSA-N 2 0 224.392 2.816 10 0 BFAERP C[C@H]1C[C@@H](c2ccc(C3CC3)c(C[NH3+])c2)CC[NH2+]1 ZINC000757243103 644865321 /nfs/dbraw/zinc/86/53/21/644865321.db2.gz ZKDJGZZUNJTRIA-FZMZJTMJSA-N 2 0 244.382 2.878 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC000714752903 712497094 /nfs/dbraw/zinc/49/70/94/712497094.db2.gz DYESQBDKMLZRDA-LBPRGKRZSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@H](C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709178899 712203688 /nfs/dbraw/zinc/20/36/88/712203688.db2.gz RKJPNLLNGRJTLA-AVGNSLFASA-N 2 0 226.408 2.585 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCC2(C)C)CC1 ZINC000714753178 712497046 /nfs/dbraw/zinc/49/70/46/712497046.db2.gz HXXPGRIBUUNWBW-GFCCVEGCSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@@H]([NH2+]CCCCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000716376587 712557332 /nfs/dbraw/zinc/55/73/32/712557332.db2.gz ABIXZNNBEWAKLK-TZMCWYRMSA-N 2 0 224.392 2.544 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685952681 538896781 /nfs/dbraw/zinc/89/67/81/538896781.db2.gz BYJIOXRQMVALQH-UPJWGTAASA-N 2 0 224.392 2.624 10 0 BFAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000685952699 538896869 /nfs/dbraw/zinc/89/68/69/538896869.db2.gz CCNDXQBWRBZZJH-OBJOEFQTSA-N 2 0 224.392 2.624 10 0 BFAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685952692 538896880 /nfs/dbraw/zinc/89/68/80/538896880.db2.gz CBXMIICWJNIQHQ-JSGCOSHPSA-N 2 0 224.392 2.767 10 0 BFAERP CC(C)CC1([NH+]2CCCCC2)CC[NH2+]CC1 ZINC000536954001 398198126 /nfs/dbraw/zinc/19/81/26/398198126.db2.gz KSCZEWQDUWYGLF-UHFFFAOYSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000576528155 365619276 /nfs/dbraw/zinc/61/92/76/365619276.db2.gz DTRUQMREIWDPFO-ZFWWWQNUSA-N 2 0 238.419 2.935 10 0 BFAERP C[N@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)C[NH3+] ZINC000381584113 398254336 /nfs/dbraw/zinc/25/43/36/398254336.db2.gz CGKPNIOZJVKERC-LLVKDONJSA-N 2 0 248.361 2.729 10 0 BFAERP CCC(CC)[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000037208733 168392777 /nfs/dbraw/zinc/39/27/77/168392777.db2.gz HJWHAPLUSVVHEL-GFCCVEGCSA-N 2 0 226.408 2.885 10 0 BFAERP C[NH+](C)CC[C@H](C[NH3+])c1cccc2ccccc21 ZINC000212505821 398334195 /nfs/dbraw/zinc/33/41/95/398334195.db2.gz LOFWLOOCJMXLFZ-CQSZACIVSA-N 2 0 242.366 2.834 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH+](CC)CC)[C@H](C)C1 ZINC000073654210 187260738 /nfs/dbraw/zinc/26/07/38/187260738.db2.gz QMNXREIWCISFBQ-ZIAGYGMSSA-N 2 0 226.408 2.839 10 0 BFAERP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400726854 529721871 /nfs/dbraw/zinc/72/18/71/529721871.db2.gz PPHOIMLLAUIIRC-XEZPLFJOSA-N 2 0 246.398 2.898 10 0 BFAERP C[C@@H]([NH3+])c1ccccc1OCCC[NH+]1CCCC1 ZINC000049331740 187270447 /nfs/dbraw/zinc/27/04/47/187270447.db2.gz WQIOMJWBMSQGIR-CYBMUJFWSA-N 2 0 248.370 2.571 10 0 BFAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](C[NH+]2CCCCC2)C1 ZINC000054559595 187271923 /nfs/dbraw/zinc/27/19/23/187271923.db2.gz PHLZTWSNPRSJAF-ILXRZTDVSA-N 2 0 238.419 2.872 10 0 BFAERP CC(C)[NH+](C(C)C)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675052984 537861137 /nfs/dbraw/zinc/86/11/37/537861137.db2.gz DAGLSBQCNKFLDS-QWHCGFSZSA-N 2 0 212.381 2.623 10 0 BFAERP Cc1ccc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)s1 ZINC000044512192 178834610 /nfs/dbraw/zinc/83/46/10/178834610.db2.gz MQYUSIHVKGYWHL-LLVKDONJSA-N 2 0 238.400 2.788 10 0 BFAERP Cc1cc([C@H]2C[C@H]([NH3+])CCN2C)ccc1Cl ZINC000675054012 537891097 /nfs/dbraw/zinc/89/10/97/537891097.db2.gz LJYLKSVFFRRPIM-DGCLKSJQSA-N 2 0 238.762 2.742 10 0 BFAERP CCC[NH+](CCC)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675054746 537974898 /nfs/dbraw/zinc/97/48/98/537974898.db2.gz YKKBXEHSVUQWQB-QWHCGFSZSA-N 2 0 212.381 2.626 10 0 BFAERP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000394516013 346541825 /nfs/dbraw/zinc/54/18/25/346541825.db2.gz MFIKHFIXWPWQBD-YIYPIFLZSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CC[C@@H]([NH3+])[C@@H]21 ZINC000059243513 347228129 /nfs/dbraw/zinc/22/81/29/347228129.db2.gz GUUUROUIZZQBOM-FAAHXZRKSA-N 2 0 230.355 2.559 10 0 BFAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049666744 179273453 /nfs/dbraw/zinc/27/34/53/179273453.db2.gz SEQYFZJMHWAFCQ-CQSZACIVSA-N 2 0 232.371 2.569 10 0 BFAERP Cc1ccccc1C[N@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 ZINC000049666756 179275117 /nfs/dbraw/zinc/27/51/17/179275117.db2.gz HTQMNEZYOWEPOD-DZGCQCFKSA-N 2 0 246.398 2.815 10 0 BFAERP CCCC1CC[NH+]([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000050893152 168608033 /nfs/dbraw/zinc/60/80/33/168608033.db2.gz RGWFKRFRXBZOLG-KBPBESRZSA-N 2 0 224.392 2.626 10 0 BFAERP Cc1[nH+]ccc(N[C@H](C)CCCC[NH3+])c1Cl ZINC000309489612 180206098 /nfs/dbraw/zinc/20/60/98/180206098.db2.gz ZHALJPRGCXKSFY-SECBINFHSA-N 2 0 241.766 2.973 10 0 BFAERP CC[C@@H](C[NH2+]C)N(CC)Cc1ccccc1 ZINC000052443709 351001528 /nfs/dbraw/zinc/00/15/28/351001528.db2.gz HXMIRGXYMPXNTC-AWEZNQCLSA-N 2 0 220.360 2.507 10 0 BFAERP CC[N@H+](Cc1ccccc1)[C@@](C)(CC)C[NH3+] ZINC000034958051 351363952 /nfs/dbraw/zinc/36/39/52/351363952.db2.gz YKFQQVGEDSNIND-AWEZNQCLSA-N 2 0 220.360 2.636 10 0 BFAERP CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)C(C)(C)C ZINC000336740723 352371884 /nfs/dbraw/zinc/37/18/84/352371884.db2.gz QJAFOOBXCWMYGD-QWHCGFSZSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@H](CCC[NH3+])[N@H+](Cc1ccccc1)C1CC1 ZINC000307392213 352569161 /nfs/dbraw/zinc/56/91/61/352569161.db2.gz YCZIZUOKMAMYMF-CYBMUJFWSA-N 2 0 232.371 2.778 10 0 BFAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000304248761 188250441 /nfs/dbraw/zinc/25/04/41/188250441.db2.gz GMOBSCZTLMWLKL-STQMWFEESA-N 2 0 226.408 2.728 10 0 BFAERP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](CCC2CCCC2)C1 ZINC000049666895 188299055 /nfs/dbraw/zinc/29/90/55/188299055.db2.gz MIJJOZILIUEPIL-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP CCN1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000040502040 358492910 /nfs/dbraw/zinc/49/29/10/358492910.db2.gz ZSZZYZHPEQTMRU-OAHLLOKOSA-N 2 0 232.371 2.569 10 0 BFAERP NC(=[NH2+])CCCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000049579748 181186712 /nfs/dbraw/zinc/18/67/12/181186712.db2.gz ITUZNGOCMLAHDW-STQMWFEESA-N 2 0 237.391 2.605 10 0 BFAERP C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000415094291 191676092 /nfs/dbraw/zinc/67/60/92/191676092.db2.gz DPARIIAEMRZWGE-NFAWXSAZSA-N 2 0 238.419 2.933 10 0 BFAERP CCN1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000389267462 355943706 /nfs/dbraw/zinc/94/37/06/355943706.db2.gz QDCJBZJWKRRLTK-SNPRPXQTSA-N 2 0 236.403 2.663 10 0 BFAERP CC[C@H]1CC[C@H](CC[NH+]2CCCC2)[N@H+](C)C1 ZINC000584652211 358306793 /nfs/dbraw/zinc/30/67/93/358306793.db2.gz QQUFBQNUZZCFGO-UONOGXRCSA-N 2 0 224.392 2.593 10 0 BFAERP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089147811 359994336 /nfs/dbraw/zinc/99/43/36/359994336.db2.gz ZNLYQHCRJXKHBZ-BMFZPTHFSA-N 2 0 246.398 2.725 10 0 BFAERP CC(C)(C)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683868 360269496 /nfs/dbraw/zinc/26/94/96/360269496.db2.gz DHOMAVAMWADMAX-CQSZACIVSA-N 2 0 238.419 2.840 10 0 BFAERP [NH3+]C1CCC([NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000051754449 181341368 /nfs/dbraw/zinc/34/13/68/181341368.db2.gz PZNGJHOXLXUFKY-UHFFFAOYSA-N 2 0 243.354 2.527 10 0 BFAERP [NH3+]C1CC[NH+](C/C2=C\CCCCCC2)CC1 ZINC000100229881 181343421 /nfs/dbraw/zinc/34/34/21/181343421.db2.gz KXKGPHJLNRDBHZ-MLPAPPSSSA-N 2 0 222.376 2.690 10 0 BFAERP [NH3+]CCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000062621461 181371509 /nfs/dbraw/zinc/37/15/09/181371509.db2.gz VDFBDECHSSXEEK-MQVJKMGUSA-N 2 0 244.382 2.778 10 0 BFAERP CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581536064 367554022 /nfs/dbraw/zinc/55/40/22/367554022.db2.gz GAOTYIYSNAKBQN-UKRRQHHQSA-N 2 0 246.398 2.727 10 0 BFAERP C[C@@H]1CC(C)(C)C[C@@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383474727 367626397 /nfs/dbraw/zinc/62/63/97/367626397.db2.gz QNCQRHSCGYZMCB-GUIRCDHDSA-N 2 0 238.419 2.728 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000386199711 367927445 /nfs/dbraw/zinc/92/74/45/367927445.db2.gz FMHQZWZMWOQWJM-JHJVBQTASA-N 2 0 226.408 2.918 10 0 BFAERP C[C@H]([NH3+])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000044463429 368332090 /nfs/dbraw/zinc/33/20/90/368332090.db2.gz KIDGOYXIWWPEFL-ZDUSSCGKSA-N 2 0 232.371 2.636 10 0 BFAERP [NH3+]C[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625255 368374972 /nfs/dbraw/zinc/37/49/72/368374972.db2.gz AFHIMDPHXZNRAO-JKSUJKDBSA-N 2 0 244.382 2.638 10 0 BFAERP Cc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631839318 372636405 /nfs/dbraw/zinc/63/64/05/372636405.db2.gz DNPUNODYVKHHBJ-YDHLFZDLSA-N 2 0 232.371 2.583 10 0 BFAERP CCC[NH+](CCC)Cc1ccc(C(N)=[NH2+])cc1 ZINC000019514230 169148575 /nfs/dbraw/zinc/14/85/75/169148575.db2.gz ONZBPGWXFMYXPH-UHFFFAOYSA-N 2 0 233.359 2.593 10 0 BFAERP CCC[N@H+](C[C@H](C[NH3+])c1ccccc1)C1CC1 ZINC000035731425 169172309 /nfs/dbraw/zinc/17/23/09/169172309.db2.gz OBVLIUDPCISDAY-AWEZNQCLSA-N 2 0 232.371 2.603 10 0 BFAERP CCC[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000082343942 169198685 /nfs/dbraw/zinc/19/86/85/169198685.db2.gz VDAFWCDMGOBUOX-HUUCEWRRSA-N 2 0 232.371 2.808 10 0 BFAERP c1cc(C[NH+]2CCCC2)sc1C[NH2+]C1CC1 ZINC000045206498 183340466 /nfs/dbraw/zinc/34/04/66/183340466.db2.gz BSNVWFSZUGPOMH-UHFFFAOYSA-N 2 0 236.384 2.596 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@@H]1C ZINC000073655867 169208873 /nfs/dbraw/zinc/20/88/73/169208873.db2.gz APBZMGNEBUOJKJ-RYUDHWBXSA-N 2 0 212.381 2.637 10 0 BFAERP CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000053031421 169264655 /nfs/dbraw/zinc/26/46/55/169264655.db2.gz NRVOHILIAOJYQH-OAHLLOKOSA-N 2 0 246.398 2.817 10 0 BFAERP CCC[NH2+]Cc1coc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543871 169268997 /nfs/dbraw/zinc/26/89/97/169268997.db2.gz GNERBUWHHRNYJT-GXTWGEPZSA-N 2 0 248.370 2.764 10 0 BFAERP c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096985037 183399751 /nfs/dbraw/zinc/39/97/51/183399751.db2.gz CSSSWROORKPTQD-CVEARBPZSA-N 2 0 244.382 2.651 10 0 BFAERP CCC[C@H](C)C[C@H](C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000068591090 384001449 /nfs/dbraw/zinc/00/14/49/384001449.db2.gz PLFOILFTHVSCAK-XQQFMLRXSA-N 2 0 212.381 2.530 10 0 BFAERP Cc1csc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000518513973 383972782 /nfs/dbraw/zinc/97/27/82/383972782.db2.gz AENGBGBWDVJCTL-VXGBXAGGSA-N 2 0 238.400 2.534 10 0 BFAERP C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000580827668 384452790 /nfs/dbraw/zinc/45/27/90/384452790.db2.gz BYCGEUQXGZIRFF-GOEBONIOSA-N 2 0 246.398 2.597 10 0 BFAERP C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C[NH+](C)C ZINC000310122340 384852632 /nfs/dbraw/zinc/85/26/32/384852632.db2.gz IIGUKRRLRFGKSX-MCIONIFRSA-N 2 0 240.435 2.989 10 0 BFAERP C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@H]1CC[NH2+]C1 ZINC000335213542 384863123 /nfs/dbraw/zinc/86/31/23/384863123.db2.gz CYKZCZMSRXKEDC-NEPJUHHUSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCC([NH3+])CC2)o1 ZINC000051692969 385260159 /nfs/dbraw/zinc/26/01/59/385260159.db2.gz JHODYCOSGAHIPX-DLOFLVKXSA-N 2 0 248.370 2.763 10 0 BFAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000309319422 385532071 /nfs/dbraw/zinc/53/20/71/385532071.db2.gz GUMFHLACNOYZBK-FRRDWIJNSA-N 2 0 226.408 2.776 10 0 BFAERP C[C@@H]([NH2+]CC1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414865255 385769187 /nfs/dbraw/zinc/76/91/87/385769187.db2.gz ZFSBRRSUBTVNGI-HXSCFSKGSA-N 2 0 238.419 2.790 10 0 BFAERP CCC[C@H]1CCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336740325 385809872 /nfs/dbraw/zinc/80/98/72/385809872.db2.gz QBERIZVUOLNTPG-UONOGXRCSA-N 2 0 226.408 2.887 10 0 BFAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415012230 386492380 /nfs/dbraw/zinc/49/23/80/386492380.db2.gz JBKLCNIEGVKNEZ-RHYQMDGZSA-N 2 0 212.381 2.527 10 0 BFAERP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000519596636 386498500 /nfs/dbraw/zinc/49/85/00/386498500.db2.gz UBEPZBHOXNXTIL-YIYPIFLZSA-N 2 0 224.392 2.543 10 0 BFAERP CCCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC1 ZINC000391883759 386691800 /nfs/dbraw/zinc/69/18/00/386691800.db2.gz WENUHRUIXIKYME-ZDUSSCGKSA-N 2 0 224.392 2.689 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000575439933 387125582 /nfs/dbraw/zinc/12/55/82/387125582.db2.gz OQNYVASLKVUYNZ-LLVKDONJSA-N 2 0 230.714 2.608 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(F)c1Cl ZINC000575440175 387128081 /nfs/dbraw/zinc/12/80/81/387128081.db2.gz MHUWKHLFRJTSSQ-JTQLQIEISA-N 2 0 230.714 2.608 10 0 BFAERP CC(C)CC1([NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000536955317 387167626 /nfs/dbraw/zinc/16/76/26/387167626.db2.gz ROFWZRVQOFFPKT-UHFFFAOYSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1C[N@@H+](C2CCC3(CC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423511800 387347302 /nfs/dbraw/zinc/34/73/02/387347302.db2.gz PDVGNEVOSHEOSR-TZMCWYRMSA-N 2 0 236.403 2.626 10 0 BFAERP C[NH+](C)CCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000026744246 387527920 /nfs/dbraw/zinc/52/79/20/387527920.db2.gz BTBYSNYASSGQJU-UHFFFAOYSA-N 2 0 224.392 2.594 10 0 BFAERP CC[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1cccs1 ZINC000396685345 387483266 /nfs/dbraw/zinc/48/32/66/387483266.db2.gz XXERAUXLXDQRHM-SRVKXCTJSA-N 2 0 238.400 2.929 10 0 BFAERP CCC[C@H]1CCC[C@H]1[NH2+]CCN(CC)CC ZINC000393784256 387874448 /nfs/dbraw/zinc/87/44/48/387874448.db2.gz SGJSQAGFUQWXOM-UONOGXRCSA-N 2 0 226.408 2.887 10 0 BFAERP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422970197 387818767 /nfs/dbraw/zinc/81/87/67/387818767.db2.gz VTAFTXFBEFAEMI-YUCHNRCRSA-N 2 0 244.382 2.520 10 0 BFAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC(F)(F)C1 ZINC000423076026 387877098 /nfs/dbraw/zinc/87/70/98/387877098.db2.gz PWSGKOIDUYOHNT-WDEREUQCSA-N 2 0 246.345 2.685 10 0 BFAERP C1CC1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000423206713 387991510 /nfs/dbraw/zinc/99/15/10/387991510.db2.gz CRFMOPPVUCUBIH-VFSICIBPSA-N 2 0 248.414 2.828 10 0 BFAERP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000423214747 387997526 /nfs/dbraw/zinc/99/75/26/387997526.db2.gz NBHHAWQPQVPDGG-IZGVIRRGSA-N 2 0 236.403 2.828 10 0 BFAERP CCC1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400533078 388009466 /nfs/dbraw/zinc/00/94/66/388009466.db2.gz SFISQNSPMNPPLX-AHPWVWPOSA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)[C@@H]1C[C@@H]1C ZINC000322211008 388032618 /nfs/dbraw/zinc/03/26/18/388032618.db2.gz UJTPFBMQFJGJJM-XQLPTFJDSA-N 2 0 238.419 2.741 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000160208730 388053529 /nfs/dbraw/zinc/05/35/29/388053529.db2.gz YUBODFUCQAKYAY-NWANDNLSSA-N 2 0 232.371 2.773 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000516642930 388512899 /nfs/dbraw/zinc/51/28/99/388512899.db2.gz FFBNNZOOHFHRBZ-AVGNSLFASA-N 2 0 224.392 2.543 10 0 BFAERP C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000521858960 388634459 /nfs/dbraw/zinc/63/44/59/388634459.db2.gz HNRGZVBGJFKMSQ-GHMZBOCLSA-N 2 0 246.345 2.542 10 0 BFAERP C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000521858963 388634790 /nfs/dbraw/zinc/63/47/90/388634790.db2.gz HNRGZVBGJFKMSQ-WDEREUQCSA-N 2 0 246.345 2.542 10 0 BFAERP CC(C)(C)[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000053702686 132363068 /nfs/dbraw/zinc/36/30/68/132363068.db2.gz SBTRTDNBCYKAFH-ZDUSSCGKSA-N 2 0 247.386 2.686 10 0 BFAERP C(C[NH2+][C@H]1CCC[NH2+]CC1)CC1CCCC1 ZINC000225016196 134353023 /nfs/dbraw/zinc/35/30/23/134353023.db2.gz AFKSYDBJNSAOFO-AWEZNQCLSA-N 2 0 224.392 2.689 10 0 BFAERP C[NH+](C)CCC[NH2+]C(C)(C)CC(C)(C)C ZINC000227225055 134376304 /nfs/dbraw/zinc/37/63/04/134376304.db2.gz NXLUECXXDPQMRV-UHFFFAOYSA-N 2 0 214.397 2.743 10 0 BFAERP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000250749308 135058312 /nfs/dbraw/zinc/05/83/12/135058312.db2.gz NHYJZRVGCJQECM-CABCVRRESA-N 2 0 232.371 2.677 10 0 BFAERP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251159225 135065206 /nfs/dbraw/zinc/06/52/06/135065206.db2.gz ZNLYQHCRJXKHBZ-KBMXLJTQSA-N 2 0 246.398 2.725 10 0 BFAERP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252751358 135107454 /nfs/dbraw/zinc/10/74/54/135107454.db2.gz ADSZFYIKBJKCOW-AVGNSLFASA-N 2 0 212.381 2.543 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000080456941 135374999 /nfs/dbraw/zinc/37/49/99/135374999.db2.gz GCXUWECXSVUOCB-RDBSUJKOSA-N 2 0 236.403 2.639 10 0 BFAERP CC(C)C[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC000073656329 167012431 /nfs/dbraw/zinc/01/24/31/167012431.db2.gz NKTOUSHHUKBFNH-ZIAGYGMSSA-N 2 0 226.408 2.741 10 0 BFAERP CC(C)[NH2+]CCCC[NH2+][C@H](C)Cc1ccco1 ZINC000042593893 167102276 /nfs/dbraw/zinc/10/22/76/167102276.db2.gz YVTOFMJEWLNLEI-CYBMUJFWSA-N 2 0 238.375 2.578 10 0 BFAERP c1sc2ccccc2c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258856915 322878708 /nfs/dbraw/zinc/87/87/08/322878708.db2.gz IKEBVYALARGLJV-NSHDSACASA-N 2 0 246.379 2.600 10 0 BFAERP CC(C)C[NH2+]CCCC[N@H+](C)Cc1ccncc1 ZINC000052480863 167002982 /nfs/dbraw/zinc/00/29/82/167002982.db2.gz MHEBZWZFZCHGBK-UHFFFAOYSA-N 2 0 249.402 2.539 10 0 BFAERP CC(C)C[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000073656330 167012650 /nfs/dbraw/zinc/01/26/50/167012650.db2.gz NKTOUSHHUKBFNH-UONOGXRCSA-N 2 0 226.408 2.741 10 0 BFAERP CC(C)C[NH2+][C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000073656336 167014723 /nfs/dbraw/zinc/01/47/23/167014723.db2.gz NKTOUSHHUKBFNH-KBPBESRZSA-N 2 0 226.408 2.741 10 0 BFAERP CC(C)C[NH2+][C@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000073654331 167015373 /nfs/dbraw/zinc/01/53/73/167015373.db2.gz RPYGRNVBGBBXJN-KGLIPLIRSA-N 2 0 226.408 2.598 10 0 BFAERP CC(C)[NH2+]Cc1occc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484436 167124071 /nfs/dbraw/zinc/12/40/71/167124071.db2.gz FBWIUEOETHYBPM-GFCCVEGCSA-N 2 0 236.359 2.619 10 0 BFAERP C[C@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362911 411361109 /nfs/dbraw/zinc/36/11/09/411361109.db2.gz YWASRZWMGFHSGW-OLZOCXBDSA-N 2 0 226.408 2.743 10 0 BFAERP CC1CCC(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000063145757 411342958 /nfs/dbraw/zinc/34/29/58/411342958.db2.gz XSAGVPKPGGNXRG-GNRIBBGQSA-N 2 0 224.392 2.624 10 0 BFAERP CC1CCC(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000063144870 168155098 /nfs/dbraw/zinc/15/50/98/168155098.db2.gz CJOCWUGGRGZRMD-YMAMQOFZSA-N 2 0 238.419 2.744 10 0 BFAERP CC1CCC(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000063144869 168155479 /nfs/dbraw/zinc/15/54/79/168155479.db2.gz CJOCWUGGRGZRMD-NRXISQOPSA-N 2 0 238.419 2.744 10 0 BFAERP CC1CCC([N@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)CC1 ZINC000049665446 168159880 /nfs/dbraw/zinc/15/98/80/168159880.db2.gz CVTKLSOOZUKGMU-HFDVOGEKSA-N 2 0 238.419 2.743 10 0 BFAERP CC1CC[NH+](C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053860980 168182518 /nfs/dbraw/zinc/18/25/18/168182518.db2.gz ZLYFDOGJDHERQH-UONOGXRCSA-N 2 0 224.392 2.626 10 0 BFAERP CC1CC[NH+](CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000020071348 168183394 /nfs/dbraw/zinc/18/33/94/168183394.db2.gz YOMAHQAIRLHEKB-HNNXBMFYSA-N 2 0 232.371 2.808 10 0 BFAERP C[C@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362908 411503577 /nfs/dbraw/zinc/50/35/77/411503577.db2.gz YWASRZWMGFHSGW-CHWSQXEVSA-N 2 0 226.408 2.743 10 0 BFAERP CC[NH2+]C[C@@](C)(CC)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051207075 170121188 /nfs/dbraw/zinc/12/11/88/170121188.db2.gz FNEFGVNCAUYSTC-QLFBSQMISA-N 2 0 240.435 2.990 10 0 BFAERP CC[NH2+]Cc1ccc(C[NH+](CC)CC)s1 ZINC000045206487 170126779 /nfs/dbraw/zinc/12/67/79/170126779.db2.gz ZKXPOAHLFCTOAF-UHFFFAOYSA-N 2 0 226.389 2.699 10 0 BFAERP CC[NH2+]Cc1ccccc1C[N@H+](C)CC1CC1 ZINC000052483708 170128315 /nfs/dbraw/zinc/12/83/15/170128315.db2.gz FSLWGRQYZORCEL-UHFFFAOYSA-N 2 0 232.371 2.638 10 0 BFAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H]1CC ZINC000052374952 170128928 /nfs/dbraw/zinc/12/89/28/170128928.db2.gz WSQKVMZBDWHODV-CYBMUJFWSA-N 2 0 236.359 2.764 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](C(C2CC2)C2CC2)[C@H](C)C1 ZINC000049713721 170151895 /nfs/dbraw/zinc/15/18/95/170151895.db2.gz IEJMNSDGLUJYLY-BXUZGUMPSA-N 2 0 236.403 2.637 10 0 BFAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000049709492 170152524 /nfs/dbraw/zinc/15/25/24/170152524.db2.gz IVYQQCBKNZFUIC-BYNSBNAKSA-N 2 0 238.419 2.885 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710698 170166719 /nfs/dbraw/zinc/16/67/19/170166719.db2.gz UAUVMZBHXCDWCA-OCCSQVGLSA-N 2 0 224.392 2.639 10 0 BFAERP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000052340285 170167796 /nfs/dbraw/zinc/16/77/96/170167796.db2.gz JXIZOKLXUIKYRP-JSGCOSHPSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]1CC[N@H+](CC(C)(C)C)CC[C@H](C)[NH2+]1 ZINC000049667079 171008045 /nfs/dbraw/zinc/00/80/45/171008045.db2.gz ZCVYSBFKXOYMLR-QWHCGFSZSA-N 2 0 226.408 2.885 10 0 BFAERP CC[C@@H]1CC[N@@H+](C2CCCCC2)CCC[NH2+]1 ZINC000049665009 171008734 /nfs/dbraw/zinc/00/87/34/171008734.db2.gz ANKQONZQODDCOE-CYBMUJFWSA-N 2 0 224.392 2.783 10 0 BFAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)CC2CCC2)C1 ZINC000061484547 171056223 /nfs/dbraw/zinc/05/62/23/171056223.db2.gz PKYQSFBRIZGQBO-SNPRPXQTSA-N 2 0 238.419 2.872 10 0 BFAERP CC1([NH3+])CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000662271227 412063618 /nfs/dbraw/zinc/06/36/18/412063618.db2.gz TYYLMEQWCJFQMX-LLVKDONJSA-N 2 0 246.345 2.625 10 0 BFAERP CC[C@H](C)C[N@H+](C)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052453975 171274096 /nfs/dbraw/zinc/27/40/96/171274096.db2.gz QAVRZHGFYZHVBZ-NSHDSACASA-N 2 0 238.375 2.785 10 0 BFAERP CC[C@H](C)[N@H+](CCCCCCC[NH3+])CCOC ZINC000042593201 171313057 /nfs/dbraw/zinc/31/30/57/171313057.db2.gz CMVOMZXPAQBJBY-AWEZNQCLSA-N 2 0 244.423 2.643 10 0 BFAERP CC[C@H](C)[N@H+](CCC[NH2+]C(C)(C)C)CCOC ZINC000042590300 171314269 /nfs/dbraw/zinc/31/42/69/171314269.db2.gz OYFBCAJDGKOYPV-ZDUSSCGKSA-N 2 0 244.423 2.512 10 0 BFAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCC[NH2+]C1 ZINC000665267216 412210969 /nfs/dbraw/zinc/21/09/69/412210969.db2.gz RTVMFIOEDLKLOZ-JSGCOSHPSA-N 2 0 224.392 2.544 10 0 BFAERP CC[C@H]1CCCC[C@@H]1[NH+]1CCC(C[NH2+]C)CC1 ZINC000104381510 171609663 /nfs/dbraw/zinc/60/96/63/171609663.db2.gz AJDRCOFCGMKSAW-GJZGRUSLSA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@H]1CCC[N@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482502 171615888 /nfs/dbraw/zinc/61/58/88/171615888.db2.gz CFEBZUCBIOHJDX-HSBZDZAISA-N 2 0 224.392 2.626 10 0 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YOUNPUBBXRHTLW-GZBFAFLISA-N 2 0 232.371 2.786 10 0 BFAERP CC1CCC(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000251962799 487808930 /nfs/dbraw/zinc/80/89/30/487808930.db2.gz XSAGVPKPGGNXRG-FKZOYECMSA-N 2 0 224.392 2.624 10 0 BFAERP CC1CCC(C[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000089577988 487835165 /nfs/dbraw/zinc/83/51/65/487835165.db2.gz GWFODOHFSVOAGJ-UHFFFAOYSA-N 2 0 238.419 2.874 10 0 BFAERP CCC(F)(F)C(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000530217107 324533470 /nfs/dbraw/zinc/53/34/70/324533470.db2.gz FRIHRZQEYGRULB-UHFFFAOYSA-N 2 0 248.361 2.917 10 0 BFAERP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382217423 490136924 /nfs/dbraw/zinc/13/69/24/490136924.db2.gz VCTWTAMXIQTGNU-RYUDHWBXSA-N 2 0 248.361 2.775 10 0 BFAERP C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400489565 533866677 /nfs/dbraw/zinc/86/66/77/533866677.db2.gz YSQIBEOGBOPPHC-BARDWOONSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500092 533942481 /nfs/dbraw/zinc/94/24/81/533942481.db2.gz BSYUZXFYYZBQET-IJEWVQPXSA-N 2 0 246.398 2.768 10 0 BFAERP CC(C)C[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000252475081 519730836 /nfs/dbraw/zinc/73/08/36/519730836.db2.gz SHIIZRSXHKBODQ-HUUCEWRRSA-N 2 0 238.419 2.839 10 0 BFAERP CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400767285 527680776 /nfs/dbraw/zinc/68/07/76/527680776.db2.gz ZKVQZQSVJVIJBY-QWHCGFSZSA-N 2 0 226.408 2.646 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393010 527706359 /nfs/dbraw/zinc/70/63/59/527706359.db2.gz NTDHOAGFNRXFGE-MELADBBJSA-N 2 0 226.408 2.789 10 0 BFAERP CCC1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400749763 527858759 /nfs/dbraw/zinc/85/87/59/527858759.db2.gz VHAHFEGIPKCAIT-BLYZHGLHSA-N 2 0 224.392 2.685 10 0 BFAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400320222 528653020 /nfs/dbraw/zinc/65/30/20/528653020.db2.gz AWCSXRWOPXPNHZ-AJNGGQMLSA-N 2 0 238.419 2.789 10 0 BFAERP 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/nfs/dbraw/zinc/17/51/07/589175107.db2.gz NNALYOWGXZCODU-UHFFFAOYSA-N 2 0 234.387 2.551 10 0 BFAERP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000259078091 643381381 /nfs/dbraw/zinc/38/13/81/643381381.db2.gz RBFYBMHTPRMHEB-ZDUSSCGKSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000259078089 643381976 /nfs/dbraw/zinc/38/19/76/643381976.db2.gz RBFYBMHTPRMHEB-CYBMUJFWSA-N 2 0 224.392 2.544 10 0 BFAERP CCC(C)(C)[NH2+]C1CCC(C)(C[NH3+])CC1 ZINC000685946263 644517892 /nfs/dbraw/zinc/51/78/92/644517892.db2.gz MTDBEDWBYPMYHC-UHFFFAOYSA-N 2 0 212.381 2.672 10 0 BFAERP CC(C)[N@@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757572078 644850891 /nfs/dbraw/zinc/85/08/91/644850891.db2.gz NYWACMDLYGNPML-HNNXBMFYSA-N 2 0 232.371 2.733 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000714758752 712497539 /nfs/dbraw/zinc/49/75/39/712497539.db2.gz VTQPONVNOLHVSX-OLZOCXBDSA-N 2 0 224.392 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000714758753 712497734 /nfs/dbraw/zinc/49/77/34/712497734.db2.gz VTQPONVNOLHVSX-QWHCGFSZSA-N 2 0 224.392 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H](C)CC2CCC2)CC1 ZINC000714753650 712498011 /nfs/dbraw/zinc/49/80/11/712498011.db2.gz MKBRYMDXARXQIU-LBPRGKRZSA-N 2 0 224.392 2.768 10 0 BFAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685955143 538900518 /nfs/dbraw/zinc/90/05/18/538900518.db2.gz ULZDRCOAEHUBHH-UPJWGTAASA-N 2 0 224.392 2.623 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685955142 538900869 /nfs/dbraw/zinc/90/08/69/538900869.db2.gz ULZDRCOAEHUBHH-RQJABVFESA-N 2 0 224.392 2.623 10 0 BFAERP CCC1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C(C)C ZINC000685952998 538896412 /nfs/dbraw/zinc/89/64/12/538896412.db2.gz FFWSVSIBGRUQKF-MOKVOYLWSA-N 2 0 224.392 2.767 10 0 BFAERP CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2CC ZINC000685952521 538896546 /nfs/dbraw/zinc/89/65/46/538896546.db2.gz ABLBEXAELATDPH-MOKVOYLWSA-N 2 0 224.392 2.768 10 0 BFAERP CCC(CC)(C[NH3+])C[NH+]1CCCCCC1 ZINC000051210349 168323092 /nfs/dbraw/zinc/32/30/92/168323092.db2.gz LTLTVUOAOOHXBX-UHFFFAOYSA-N 2 0 212.381 2.628 10 0 BFAERP CC(C)C(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000576338139 365569357 /nfs/dbraw/zinc/56/93/57/365569357.db2.gz ROXIWVSUAWALEN-KBPBESRZSA-N 2 0 240.435 2.892 10 0 BFAERP Cc1cc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)o1 ZINC000040749197 178243918 /nfs/dbraw/zinc/24/39/18/178243918.db2.gz VCSIQZYTSLSHLM-HLVVYCRESA-N 2 0 248.370 2.912 10 0 BFAERP CCC(CC)[N@H+](CCCCCC[NH3+])CCOC ZINC000042681755 168371416 /nfs/dbraw/zinc/37/14/16/168371416.db2.gz FFOIBBRIHJEJMA-UHFFFAOYSA-N 2 0 244.423 2.643 10 0 BFAERP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000042585630 538978219 /nfs/dbraw/zinc/97/82/19/538978219.db2.gz CXACZWZWKVNPBP-OCCSQVGLSA-N 2 0 226.408 2.741 10 0 BFAERP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000381706654 539005724 /nfs/dbraw/zinc/00/57/24/539005724.db2.gz JKBMNBWFKUGYMY-MELADBBJSA-N 2 0 226.408 2.598 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](CCC2CCCC2)[C@@H](C)C1 ZINC000049713048 187270563 /nfs/dbraw/zinc/27/05/63/187270563.db2.gz BEKAWVSTFJICDW-GXTWGEPZSA-N 2 0 224.392 2.639 10 0 BFAERP C=Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000409423397 343815205 /nfs/dbraw/zinc/81/52/05/343815205.db2.gz NYQCPQNYSAOCIV-OAHLLOKOSA-N 2 0 230.355 2.500 10 0 BFAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CC2CCC1CC2 ZINC000400021660 344228673 /nfs/dbraw/zinc/22/86/73/344228673.db2.gz NCZQFPUMVBXXCY-NEXFUWMNSA-N 2 0 236.403 2.544 10 0 BFAERP Cc1cccc(C[N@H+](C)CCCCC(N)=[NH2+])c1 ZINC000049579772 179065891 /nfs/dbraw/zinc/06/58/91/179065891.db2.gz SELMNZZSDPWAHU-UHFFFAOYSA-N 2 0 233.359 2.533 10 0 BFAERP Cc1cccc(CN2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000235670955 179081219 /nfs/dbraw/zinc/08/12/19/179081219.db2.gz ITFQMMQGSNAAGA-DZGCQCFKSA-N 2 0 232.371 2.554 10 0 BFAERP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)C1 ZINC000394515848 346542191 /nfs/dbraw/zinc/54/21/91/346542191.db2.gz MFIKHFIXWPWQBD-MQYQWHSLSA-N 2 0 224.392 2.624 10 0 BFAERP Cc1cccc([C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193598500 179180668 /nfs/dbraw/zinc/18/06/68/179180668.db2.gz ITFATMKLVXPUOW-BMFZPTHFSA-N 2 0 244.382 2.549 10 0 BFAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037646080 179321492 /nfs/dbraw/zinc/32/14/92/179321492.db2.gz LPERBAKPRKQMBQ-KGLIPLIRSA-N 2 0 232.371 2.597 10 0 BFAERP CCN(CC[NH2+]CC(C)C)Cc1ccccc1 ZINC000052443737 351000837 /nfs/dbraw/zinc/00/08/37/351000837.db2.gz WYJJQUIDGNCWAV-UHFFFAOYSA-N 2 0 234.387 2.754 10 0 BFAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307158312 351509731 /nfs/dbraw/zinc/50/97/31/351509731.db2.gz APCZMORMBBMDBL-HRCADAONSA-N 2 0 244.382 2.507 10 0 BFAERP CC[NH2+]C[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725268828 538101599 /nfs/dbraw/zinc/10/15/99/538101599.db2.gz CEKQCVSMHRHKJP-ZDUSSCGKSA-N 2 0 242.366 2.567 10 0 BFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000036915195 188285767 /nfs/dbraw/zinc/28/57/67/188285767.db2.gz CFIBAIOMJHVWDI-VHDGCEQUSA-N 2 0 238.419 2.870 10 0 BFAERP CC(C)C[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915933 188289264 /nfs/dbraw/zinc/28/92/64/188289264.db2.gz SEQQFKCUPUFSNM-KKUMJFAQSA-N 2 0 238.419 2.885 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC000049712988 188298484 /nfs/dbraw/zinc/29/84/84/188298484.db2.gz HYBJURDGAQTGIR-DZGCQCFKSA-N 2 0 232.371 2.567 10 0 BFAERP C[NH2+][C@@H]1CC[N@@H+](C2CCC(C)CC2)[C@@H](C)C1 ZINC000049709760 188298782 /nfs/dbraw/zinc/29/87/82/188298782.db2.gz KRCOJYVIDSVDDA-YIFLHPOLSA-N 2 0 224.392 2.637 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000073654117 188368444 /nfs/dbraw/zinc/36/84/44/188368444.db2.gz GMBFJAQVPZEBLM-CHWSQXEVSA-N 2 0 226.408 2.885 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000040502081 358492883 /nfs/dbraw/zinc/49/28/83/358492883.db2.gz KPEWKZJUVODEMG-MELADBBJSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CC2(C1)CC[NH2+]CC2 ZINC000675069275 538498161 /nfs/dbraw/zinc/49/81/61/538498161.db2.gz DVIPKKBDSCCIGT-QWHCGFSZSA-N 2 0 236.403 2.639 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000583078289 357473744 /nfs/dbraw/zinc/47/37/44/357473744.db2.gz KGAMYDHMBPKMIY-XGUBFFRZSA-N 2 0 238.419 2.933 10 0 BFAERP Cc1c[nH+]ccc1N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000192680083 357847050 /nfs/dbraw/zinc/84/70/50/357847050.db2.gz AJWRORDXUWZQCE-GXTWGEPZSA-N 2 0 233.359 2.531 10 0 BFAERP CC[C@H]1CC[C@@H](CC[NH+]2CCCC2)[N@H+](C)C1 ZINC000584652208 358307079 /nfs/dbraw/zinc/30/70/79/358307079.db2.gz QQUFBQNUZZCFGO-KBPBESRZSA-N 2 0 224.392 2.593 10 0 BFAERP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258158 /nfs/dbraw/zinc/25/81/58/359258158.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 2 0 244.382 2.603 10 0 BFAERP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000248178696 359258216 /nfs/dbraw/zinc/25/82/16/359258216.db2.gz WBCFNLZEPUZFPB-HZPDHXFCSA-N 2 0 244.382 2.603 10 0 BFAERP C[C@H](CCC[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000094948047 360328504 /nfs/dbraw/zinc/32/85/04/360328504.db2.gz SMIBEUZBZBGALD-LLVKDONJSA-N 2 0 229.327 2.774 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000579461686 366812991 /nfs/dbraw/zinc/81/29/91/366812991.db2.gz QIZUZAXINAOLOP-SNPRPXQTSA-N 2 0 238.419 2.933 10 0 BFAERP [NH3+]C1CCC(C[NH2+]C2CCCCCC2)CC1 ZINC000040397530 181341054 /nfs/dbraw/zinc/34/10/54/181341054.db2.gz DIZZUEAOCGYEOH-UHFFFAOYSA-N 2 0 224.392 2.816 10 0 BFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccccc21 ZINC000040749085 181344326 /nfs/dbraw/zinc/34/43/26/181344326.db2.gz XGAPODSQPJDDHI-NQKGRLOXSA-N 2 0 242.366 2.628 10 0 BFAERP C[C@@H]1C[N@@H+]([C@@H]2C[C@H](C)CC[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000379767650 363895853 /nfs/dbraw/zinc/89/58/53/363895853.db2.gz LHVQTKVYIQZZAG-XLWJZTARSA-N 2 0 238.419 2.728 10 0 BFAERP CC(C)[NH2+]CC1(C[NH3+])CC(c2ccccc2)C1 ZINC000725273490 541340817 /nfs/dbraw/zinc/34/08/17/541340817.db2.gz GXCHCLZOTXBDAL-UHFFFAOYSA-N 2 0 232.371 2.507 10 0 BFAERP [NH3+]CC1(N(Cc2ccco2)C2CC2)CCCC1 ZINC000042692857 181360950 /nfs/dbraw/zinc/36/09/50/181360950.db2.gz ZXABFEIKFDUAIY-UHFFFAOYSA-N 2 0 234.343 2.516 10 0 BFAERP [NH3+]CCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000037715003 181377832 /nfs/dbraw/zinc/37/78/32/181377832.db2.gz SYZCBDICRSSUJG-HNNXBMFYSA-N 2 0 244.338 2.698 10 0 BFAERP [NH3+]CCC[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000104319667 181385621 /nfs/dbraw/zinc/38/56/21/181385621.db2.gz ILTVDYYBACBMMM-INIZCTEOSA-N 2 0 246.398 2.823 10 0 BFAERP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000381378465 367391939 /nfs/dbraw/zinc/39/19/39/367391939.db2.gz KMDZLGGDXYVZCX-STQMWFEESA-N 2 0 226.408 2.743 10 0 BFAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581661299 367662505 /nfs/dbraw/zinc/66/25/05/367662505.db2.gz KOVZJDLXWJDAPW-CRWXNKLISA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H]([NH2+]CC1C(C)(C)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC000567639654 326236871 /nfs/dbraw/zinc/23/68/71/326236871.db2.gz GIMJQMBYOPRKKV-RYUDHWBXSA-N 2 0 238.419 2.646 10 0 BFAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000400026897 369341391 /nfs/dbraw/zinc/34/13/91/369341391.db2.gz PYIATPYTGBVZJQ-NWVVDGJNSA-N 2 0 236.403 2.672 10 0 BFAERP [NH3+][C@H]1CCC[C@H](C[NH+]2CCCCCCC2)C1 ZINC000070503085 181647607 /nfs/dbraw/zinc/64/76/07/181647607.db2.gz ILWMHDXXDOFYLW-KBPBESRZSA-N 2 0 224.392 2.770 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841730 372638309 /nfs/dbraw/zinc/63/83/09/372638309.db2.gz OZCRFCQTTIBOSD-INWMFGNUSA-N 2 0 244.382 2.591 10 0 BFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841731 372638496 /nfs/dbraw/zinc/63/84/96/372638496.db2.gz OZCRFCQTTIBOSD-IVMMDQJWSA-N 2 0 244.382 2.591 10 0 BFAERP CCC[N@H+](C)C[C@H](C)[C@H]([NH2+]C)c1ccccc1 ZINC000053939299 169078631 /nfs/dbraw/zinc/07/86/31/169078631.db2.gz MPLCBLKKUGIEIY-ZFWWWQNUSA-N 2 0 234.387 2.925 10 0 BFAERP CCC[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052444602 169080826 /nfs/dbraw/zinc/08/08/26/169080826.db2.gz LJHFKWPTDCOAOM-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP CCC[NH+](CCC)C[C@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000053862562 169148796 /nfs/dbraw/zinc/14/87/96/169148796.db2.gz LJJJZRVAEYFBQZ-MCIONIFRSA-N 2 0 226.408 2.872 10 0 BFAERP CCCN(CC)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913694 169131902 /nfs/dbraw/zinc/13/19/02/169131902.db2.gz IVGAPCGDRYVEQG-BXUZGUMPSA-N 2 0 238.350 2.946 10 0 BFAERP CCC[NH+](CCC)CC1(C[NH3+])CCCC1 ZINC000051211254 169147226 /nfs/dbraw/zinc/14/72/26/169147226.db2.gz FYVYPNBRZHUTIO-UHFFFAOYSA-N 2 0 212.381 2.628 10 0 BFAERP CCC[NH+](CCC)Cc1cccc(C(N)=[NH2+])c1 ZINC000019430705 169148701 /nfs/dbraw/zinc/14/87/01/169148701.db2.gz LUGKTOZCOSKKFK-UHFFFAOYSA-N 2 0 233.359 2.593 10 0 BFAERP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417573 169261106 /nfs/dbraw/zinc/26/11/06/169261106.db2.gz WHFFCDMQVDSWRV-AWEZNQCLSA-N 2 0 234.387 2.897 10 0 BFAERP CCC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000053012506 169264429 /nfs/dbraw/zinc/26/44/29/169264429.db2.gz XZKHUBRRZKDNTC-MRXNPFEDSA-N 2 0 246.398 2.551 10 0 BFAERP CCC[NH2+]C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000053031007 169264560 /nfs/dbraw/zinc/26/45/60/169264560.db2.gz QAGPVXIDNXDQHT-OAHLLOKOSA-N 2 0 238.419 2.888 10 0 BFAERP CCC[NH2+]Cc1c2ccccc2oc1C[NH+](C)C ZINC000052422804 169265737 /nfs/dbraw/zinc/26/57/37/169265737.db2.gz CONZVIMGPBBDFT-UHFFFAOYSA-N 2 0 246.354 2.994 10 0 BFAERP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)CC2)cc1 ZINC000096895221 183398311 /nfs/dbraw/zinc/39/83/11/183398311.db2.gz UUTZVMXCEQSCSH-INIZCTEOSA-N 2 0 244.382 2.652 10 0 BFAERP CCC[NH2+][C@@H](CC[NH+](C)C)c1ccccc1C ZINC000054016627 169278556 /nfs/dbraw/zinc/27/85/56/169278556.db2.gz JZHYGYWWEVKNOH-HNNXBMFYSA-N 2 0 234.387 2.987 10 0 BFAERP C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000222736305 134334074 /nfs/dbraw/zinc/33/40/74/134334074.db2.gz CDSUHGFSBQAMBX-FPMFFAJLSA-N 2 0 224.392 2.637 10 0 BFAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361177 384206242 /nfs/dbraw/zinc/20/62/42/384206242.db2.gz NRANVGGGAFHGAX-BFHYXJOUSA-N 2 0 232.371 2.644 10 0 BFAERP CCC1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000083255273 384754671 /nfs/dbraw/zinc/75/46/71/384754671.db2.gz KOQROPHOWGHQBW-UHFFFAOYSA-N 2 0 232.371 2.638 10 0 BFAERP C(C[NH2+]C[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000398342426 385146762 /nfs/dbraw/zinc/14/67/62/385146762.db2.gz HIHMJPARMBFCNR-CQSZACIVSA-N 2 0 224.392 2.546 10 0 BFAERP CCCC(CCC)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309194553 385204701 /nfs/dbraw/zinc/20/47/01/385204701.db2.gz KUAOAOGWVMWNRI-TZMCWYRMSA-N 2 0 226.408 2.872 10 0 BFAERP CC[C@@H]([NH2+]CCN(C)C(C)C)C(C)(C)C ZINC000336725358 385843484 /nfs/dbraw/zinc/84/34/84/385843484.db2.gz GIBICNUDBYHXMW-GFCCVEGCSA-N 2 0 214.397 2.741 10 0 BFAERP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335020873 385980428 /nfs/dbraw/zinc/98/04/28/385980428.db2.gz CIJFTFMJVUZWKA-RYUDHWBXSA-N 2 0 246.345 2.544 10 0 BFAERP FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335020875 385981356 /nfs/dbraw/zinc/98/13/56/385981356.db2.gz CIJFTFMJVUZWKA-VXGBXAGGSA-N 2 0 246.345 2.544 10 0 BFAERP CC1(C[NH2+]C2CC[NH2+]CC2)CCCCCC1 ZINC000335275691 386334820 /nfs/dbraw/zinc/33/48/20/386334820.db2.gz CAZUAZZPDFZLGK-UHFFFAOYSA-N 2 0 224.392 2.689 10 0 BFAERP [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000575438817 387119592 /nfs/dbraw/zinc/11/95/92/387119592.db2.gz BCNBBDKDZXZRDX-SNVBAGLBSA-N 2 0 233.142 2.732 10 0 BFAERP CC(C)c1cccc([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575439068 387122443 /nfs/dbraw/zinc/12/24/43/387122443.db2.gz PGXCKTQBOXDCJL-CQSZACIVSA-N 2 0 220.360 2.939 10 0 BFAERP Cc1ccc(F)c([C@@H]([NH3+])CCCC[NH3+])c1Cl ZINC000575439764 387126269 /nfs/dbraw/zinc/12/62/69/387126269.db2.gz YDBSLNBPHMTUPY-JTQLQIEISA-N 2 0 244.741 2.916 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000575438500 387129094 /nfs/dbraw/zinc/12/90/94/387129094.db2.gz JNWHEJRNWVNHEO-VIFPVBQESA-N 2 0 248.704 2.747 10 0 BFAERP CC1(C)[C@H]([NH2+]Cc2ccccc2)[C@H]2CCC[NH2+][C@H]21 ZINC000575505330 387372180 /nfs/dbraw/zinc/37/21/80/387372180.db2.gz YBTKGPYTRITDJO-RRFJBIMHSA-N 2 0 244.382 2.553 10 0 BFAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000516450396 387509819 /nfs/dbraw/zinc/50/98/19/387509819.db2.gz KQFGGHFRCDDPCV-UKRRQHHQSA-N 2 0 236.403 2.855 10 0 BFAERP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400726847 256712507 /nfs/dbraw/zinc/71/25/07/256712507.db2.gz PPHOIMLLAUIIRC-HEHGZKQESA-N 2 0 246.398 2.898 10 0 BFAERP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000311162361 388493311 /nfs/dbraw/zinc/49/33/11/388493311.db2.gz PWBJYLMFUSEHPD-IJEWVQPXSA-N 2 0 246.398 2.973 10 0 BFAERP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@H]1CC1(C)C ZINC000397797546 388499651 /nfs/dbraw/zinc/49/96/51/388499651.db2.gz MAJNVRFHTABSIL-UPJWGTAASA-N 2 0 226.408 2.598 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000516642932 388512194 /nfs/dbraw/zinc/51/21/94/388512194.db2.gz FFBNNZOOHFHRBZ-XQQFMLRXSA-N 2 0 224.392 2.543 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)ccc(Cl)c1F ZINC000575438552 388623919 /nfs/dbraw/zinc/62/39/19/388623919.db2.gz KQOLOGIKRDZZAY-SECBINFHSA-N 2 0 248.704 2.747 10 0 BFAERP C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCC[NH2+]C1 ZINC000521858962 388634221 /nfs/dbraw/zinc/63/42/21/388634221.db2.gz HNRGZVBGJFKMSQ-QWRGUYRKSA-N 2 0 246.345 2.542 10 0 BFAERP CC(C)C[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1 ZINC000053700657 132363086 /nfs/dbraw/zinc/36/30/86/132363086.db2.gz ANEMETBMFAXJOZ-HNNXBMFYSA-N 2 0 247.386 2.686 10 0 BFAERP Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000258664633 135102346 /nfs/dbraw/zinc/10/23/46/135102346.db2.gz DZOPCOFKOSRINW-AWEZNQCLSA-N 2 0 232.371 2.554 10 0 BFAERP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261565822 135207753 /nfs/dbraw/zinc/20/77/53/135207753.db2.gz YNXAVCFUGSLAQL-MGPQQGTHSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261565824 135207830 /nfs/dbraw/zinc/20/78/30/135207830.db2.gz YNXAVCFUGSLAQL-RDBSUJKOSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261589298 135230439 /nfs/dbraw/zinc/23/04/39/135230439.db2.gz WGMRZXIJZAVVGZ-HNNXBMFYSA-N 2 0 246.398 2.863 10 0 BFAERP Cc1cccc(C)c1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261590067 135230999 /nfs/dbraw/zinc/23/09/99/135230999.db2.gz WSFVWVBPUDRQMZ-HNNXBMFYSA-N 2 0 246.398 2.863 10 0 BFAERP Cc1cc(C)cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261593230 135233493 /nfs/dbraw/zinc/23/34/93/135233493.db2.gz ZBBIWOJLTICHGV-HNNXBMFYSA-N 2 0 246.398 2.863 10 0 BFAERP [NH3+]CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000262948732 135324630 /nfs/dbraw/zinc/32/46/30/135324630.db2.gz JIQMPMDHURTKHJ-OAHLLOKOSA-N 2 0 243.354 2.654 10 0 BFAERP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084218033 135468391 /nfs/dbraw/zinc/46/83/91/135468391.db2.gz WDPMWJIGVIMLKT-YNEHKIRRSA-N 2 0 212.381 2.528 10 0 BFAERP Cc1ccc(C[NH2+]C(C)(C)CC[NH3+])cc1C ZINC000258803764 322876155 /nfs/dbraw/zinc/87/61/55/322876155.db2.gz KHSPMJSUYBHKFP-UHFFFAOYSA-N 2 0 220.360 2.520 10 0 BFAERP C[C@@H]([NH3+])CC[NH2+]Cc1csc2ccccc12 ZINC000258844307 322878920 /nfs/dbraw/zinc/87/89/20/322878920.db2.gz WOIPDYLVHKZDKF-SNVBAGLBSA-N 2 0 234.368 2.728 10 0 BFAERP CC1CCC(C[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000647531126 487610780 /nfs/dbraw/zinc/61/07/80/487610780.db2.gz CMBDLRJPYQBENZ-UHFFFAOYSA-N 2 0 224.392 2.626 10 0 BFAERP CC(C)C[NH2+]CC[C@H](C)N(C)Cc1ccccn1 ZINC000052478934 167004618 /nfs/dbraw/zinc/00/46/18/167004618.db2.gz VOVYLYQDFRXOOW-AWEZNQCLSA-N 2 0 249.402 2.538 10 0 BFAERP CC(C)[C@@H](C)[N@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000036786641 167369245 /nfs/dbraw/zinc/36/92/45/167369245.db2.gz BVJMXVLBLGWGKE-LLVKDONJSA-N 2 0 238.350 2.761 10 0 BFAERP CC1([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000070503347 168062755 /nfs/dbraw/zinc/06/27/55/168062755.db2.gz QTSBCTOUBCXFIA-STQMWFEESA-N 2 0 224.392 2.816 10 0 BFAERP CC1CCC([N@@H+]2CCC[NH2+][C@H](C)CC2)CC1 ZINC000049665428 168159551 /nfs/dbraw/zinc/15/95/51/168159551.db2.gz WAMPAMMDIIWPJJ-ROKHWSDSSA-N 2 0 224.392 2.639 10 0 BFAERP CC1CC[NH+](C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053860982 168182240 /nfs/dbraw/zinc/18/22/40/168182240.db2.gz ZLYFDOGJDHERQH-ZIAGYGMSSA-N 2 0 224.392 2.626 10 0 BFAERP CC1CC[NH+](C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053860978 168182721 /nfs/dbraw/zinc/18/27/21/168182721.db2.gz ZLYFDOGJDHERQH-KGLIPLIRSA-N 2 0 224.392 2.626 10 0 BFAERP CC1CC[NH+](Cc2ccc(C[NH3+])cc2F)CC1 ZINC000019265196 168185065 /nfs/dbraw/zinc/18/50/65/168185065.db2.gz UQLAJSYCZOMCLB-UHFFFAOYSA-N 2 0 236.334 2.516 10 0 BFAERP CC[NH2+]C1CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000042864254 170108687 /nfs/dbraw/zinc/10/86/87/170108687.db2.gz YSKAKQWYOXXQLK-KBPBESRZSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095091530 170117079 /nfs/dbraw/zinc/11/70/79/170117079.db2.gz BGEZLGMKZBPRSL-HNNXBMFYSA-N 2 0 232.371 2.508 10 0 BFAERP CC[NH2+]CC[C@H](C)[N@H+](CC)Cc1ccccc1 ZINC000052443831 170117126 /nfs/dbraw/zinc/11/71/26/170117126.db2.gz FYXBIKDXMRGDPO-AWEZNQCLSA-N 2 0 234.387 2.897 10 0 BFAERP CC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000052424772 170117627 /nfs/dbraw/zinc/11/76/27/170117627.db2.gz YPFPSLUQEUEKGV-AWEZNQCLSA-N 2 0 234.387 2.815 10 0 BFAERP CC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000053654083 170122934 /nfs/dbraw/zinc/12/29/34/170122934.db2.gz JUCRUSFSIGGCTD-OAHLLOKOSA-N 2 0 246.398 2.817 10 0 BFAERP CC[NH2+]Cc1ccccc1C[N@H+](CC)C1CC1 ZINC000052452273 170128388 /nfs/dbraw/zinc/12/83/88/170128388.db2.gz RJNRTJVJWCFLTD-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@H](C)CC)cc1C ZINC000052444344 170131988 /nfs/dbraw/zinc/13/19/88/170131988.db2.gz AXDLLOHVXUIJIZ-GFCCVEGCSA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+]Cc1occc1C[N@H+](CC)CC(C)C ZINC000052449651 170132930 /nfs/dbraw/zinc/13/29/30/170132930.db2.gz ZUUOFIOVEKCAAV-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1C ZINC000049713037 170151249 /nfs/dbraw/zinc/15/12/49/170151249.db2.gz BMYWZCWOHXONCX-DZGCQCFKSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2C)C[C@@H]1C ZINC000049712980 170168136 /nfs/dbraw/zinc/16/81/36/170168136.db2.gz GRDPACIOCJFHJL-HOCLYGCPSA-N 2 0 246.398 2.815 10 0 BFAERP CC[C@@H]1CCCC[C@H]1[NH+]1CCC(C[NH2+]C)CC1 ZINC000104381514 170969870 /nfs/dbraw/zinc/96/98/70/170969870.db2.gz AJDRCOFCGMKSAW-HUUCEWRRSA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@@H]1CC[N@@H+](C(C)(C)CC)CCC[NH2+]1 ZINC000049664976 171010047 /nfs/dbraw/zinc/01/00/47/171010047.db2.gz GNFQJSCRROUCCL-GFCCVEGCSA-N 2 0 212.381 2.639 10 0 BFAERP CC[C@@H]1CC[N@H+](CCCc2ccccc2)CC[NH2+]1 ZINC000049662209 171011899 /nfs/dbraw/zinc/01/18/99/171011899.db2.gz WFLOWVKTILMXBD-MRXNPFEDSA-N 2 0 246.398 2.693 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](C)CC2CCC2)C1 ZINC000061484556 171040384 /nfs/dbraw/zinc/04/03/84/171040384.db2.gz PKYQSFBRIZGQBO-VHDGCEQUSA-N 2 0 238.419 2.872 10 0 BFAERP CC[C@@]1(C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000062910822 171210447 /nfs/dbraw/zinc/21/04/47/171210447.db2.gz GCHBKVJYIOUYDT-OAHLLOKOSA-N 2 0 232.371 2.508 10 0 BFAERP CC[C@H](C(C)C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915878 171242719 /nfs/dbraw/zinc/24/27/19/171242719.db2.gz RLWCQNPAHBDAQK-SOUVJXGZSA-N 2 0 238.419 2.885 10 0 BFAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294707 412082635 /nfs/dbraw/zinc/08/26/35/412082635.db2.gz SDSXEFMNPDKVIE-DZGCQCFKSA-N 2 0 238.419 2.743 10 0 BFAERP CC[C@H](C)[NH2+]C[C@@H](C)N(CCOC)[C@@H](C)CC ZINC000053497288 171340821 /nfs/dbraw/zinc/34/08/21/171340821.db2.gz ZDUQUYUMZSDQFG-MELADBBJSA-N 2 0 244.423 2.510 10 0 BFAERP C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000665239071 412180806 /nfs/dbraw/zinc/18/08/06/412180806.db2.gz LJSVCHWUSJEDQF-XPABHHOTSA-N 2 0 238.419 2.646 10 0 BFAERP CCn1cc[nH+]c1Nc1ccccc1[C@@H](C)[NH3+] ZINC000104314096 172227679 /nfs/dbraw/zinc/22/76/79/172227679.db2.gz JRQBSKBBSDJHNS-SNVBAGLBSA-N 2 0 230.315 2.666 10 0 BFAERP C[NH+](C)CC[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000041302395 172476626 /nfs/dbraw/zinc/47/66/26/172476626.db2.gz JHQUQLPLRNCHTL-AWEZNQCLSA-N 2 0 248.414 2.978 10 0 BFAERP C[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000051208786 173337526 /nfs/dbraw/zinc/33/75/26/173337526.db2.gz HPJLEFFIOZNVSL-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205711 173337689 /nfs/dbraw/zinc/33/76/89/173337689.db2.gz FYYXVEBYUNMCQD-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000052379066 173390798 /nfs/dbraw/zinc/39/07/98/173390798.db2.gz GVIXPXSGVPIDGL-ZDUSSCGKSA-N 2 0 232.371 2.780 10 0 BFAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@H](C)CC(C)C ZINC000052571830 173391448 /nfs/dbraw/zinc/39/14/48/173391448.db2.gz OQNUOCZCKZEQKV-GFCCVEGCSA-N 2 0 238.375 2.865 10 0 BFAERP C[NH2+]Cc1coc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000052373394 173392834 /nfs/dbraw/zinc/39/28/34/173392834.db2.gz IJCASFJPIXDDGG-VXGBXAGGSA-N 2 0 236.359 2.619 10 0 BFAERP C[NH2+]Cc1coc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000052373395 173393289 /nfs/dbraw/zinc/39/32/89/173393289.db2.gz IJCASFJPIXDDGG-NWDGAFQWSA-N 2 0 236.359 2.619 10 0 BFAERP C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C[N@@H+]1CCCC1(C)C ZINC000063073222 173438557 /nfs/dbraw/zinc/43/85/57/173438557.db2.gz VLQWVANFVAZRNK-HZSPNIEDSA-N 2 0 238.419 2.885 10 0 BFAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000035738483 175919795 /nfs/dbraw/zinc/91/97/95/175919795.db2.gz RNBZEZCQOOTZKV-VXGBXAGGSA-N 2 0 236.359 2.661 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071249712 176074191 /nfs/dbraw/zinc/07/41/91/176074191.db2.gz BUGAYSCQMNAACJ-LLVKDONJSA-N 2 0 236.334 2.659 10 0 BFAERP C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=[NH2+])cc2)[C@@H]1C ZINC000050565056 176099803 /nfs/dbraw/zinc/09/98/03/176099803.db2.gz IMURLLRMJDYPHZ-VXGBXAGGSA-N 2 0 245.370 2.591 10 0 BFAERP C[C@@H]1CC[NH+](CCc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000049664774 176169553 /nfs/dbraw/zinc/16/95/53/176169553.db2.gz UQNDWBQOBDKTOU-HUUCEWRRSA-N 2 0 246.398 2.692 10 0 BFAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2ccccc2)C1 ZINC000037116210 176208667 /nfs/dbraw/zinc/20/86/67/176208667.db2.gz SZOWQRCSACAHRQ-BPLDGKMQSA-N 2 0 232.371 2.634 10 0 BFAERP C[C@@H]1C[N@@H+](C(C)(C)CC(C)(C)C)CC[C@@H]1[NH3+] ZINC000043435724 176265893 /nfs/dbraw/zinc/26/58/93/176265893.db2.gz ADGOZHBCRBUDEY-NEPJUHHUSA-N 2 0 226.408 2.870 10 0 BFAERP C[C@@H]1C[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096985060 176324159 /nfs/dbraw/zinc/32/41/59/176324159.db2.gz KXROMDOCFXOLRZ-CQSZACIVSA-N 2 0 244.382 2.508 10 0 BFAERP C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C[NH+](C)C ZINC000310122341 176375993 /nfs/dbraw/zinc/37/59/93/176375993.db2.gz IIGUKRRLRFGKSX-MGPQQGTHSA-N 2 0 240.435 2.989 10 0 BFAERP C[C@H](C[NH+]1CCC2(CCCCC2)CC1)C(N)=[NH2+] ZINC000061820315 176664900 /nfs/dbraw/zinc/66/49/00/176664900.db2.gz FQWAKRPFTRIEBB-GFCCVEGCSA-N 2 0 237.391 2.605 10 0 BFAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000053861446 177077555 /nfs/dbraw/zinc/07/75/55/177077555.db2.gz MMNJNWUUQLPXFZ-RFGFWPKPSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000021953171 177077935 /nfs/dbraw/zinc/07/79/35/177077935.db2.gz NLRHNZPDJJMPKY-LBPRGKRZSA-N 2 0 218.344 2.520 10 0 BFAERP C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071249785 177101272 /nfs/dbraw/zinc/10/12/72/177101272.db2.gz IPMLGEPMODIPTO-NSHDSACASA-N 2 0 236.334 2.516 10 0 BFAERP C[C@H](C[N@@H+]1CCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000053936879 177109554 /nfs/dbraw/zinc/10/95/54/177109554.db2.gz BCNNCZGLUGGQQZ-IPYPFGDCSA-N 2 0 232.371 2.807 10 0 BFAERP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000037408407 177136847 /nfs/dbraw/zinc/13/68/47/177136847.db2.gz MAEUICXLNWNDNE-IHRRRGAJSA-N 2 0 236.403 2.639 10 0 BFAERP C[C@H]1CCC[C@](C[NH3+])([NH+]2Cc3ccccc3C2)C1 ZINC000050910667 177143689 /nfs/dbraw/zinc/14/36/89/177143689.db2.gz GKJFGKSYIVOKJJ-BBRMVZONSA-N 2 0 244.382 2.910 10 0 BFAERP C[C@@H]1CC[N@H+](C(C2CC2)C2CC2)CC[C@H](C)[NH2+]1 ZINC000049668076 177157692 /nfs/dbraw/zinc/15/76/92/177157692.db2.gz VRCDSKMPWBGALP-TXEJJXNPSA-N 2 0 236.403 2.637 10 0 BFAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000051746744 177160351 /nfs/dbraw/zinc/16/03/51/177160351.db2.gz NPXWJLZERWMAEW-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCCCC1 ZINC000049710533 177326482 /nfs/dbraw/zinc/32/64/82/177326482.db2.gz FJLRFTXDJJRATC-RYUDHWBXSA-N 2 0 210.365 2.521 10 0 BFAERP C[C@H]1C[C@H](C)C[NH+](CC(C)(C)C[NH2+]C2CC2)C1 ZINC000051206926 177358151 /nfs/dbraw/zinc/35/81/51/177358151.db2.gz QPWCQXGAIUHYMJ-STQMWFEESA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]1C[C@H]([NH+]2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000026515073 177365091 /nfs/dbraw/zinc/36/50/91/177365091.db2.gz HOBDBQWSECHTPC-AAEUAGOBSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400346287 225034545 /nfs/dbraw/zinc/03/45/45/225034545.db2.gz HOAKIRHGVUVPBA-QWHCGFSZSA-N 2 0 236.403 2.711 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400362453 226341685 /nfs/dbraw/zinc/34/16/85/226341685.db2.gz OAMWURFYXLXZOW-GUTXKFCHSA-N 2 0 232.371 2.644 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400526404 226345817 /nfs/dbraw/zinc/34/58/17/226345817.db2.gz QDMRSKBNNCVYDL-AVGNSLFASA-N 2 0 224.392 2.543 10 0 BFAERP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400758934 226351608 /nfs/dbraw/zinc/35/16/08/226351608.db2.gz XSHXOVHESPVLDU-OFQRWUPVSA-N 2 0 246.398 2.514 10 0 BFAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000570077144 323049489 /nfs/dbraw/zinc/04/94/89/323049489.db2.gz FBMXLLKMNWPSAA-QWHCGFSZSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H]([NH2+]CC[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000530217501 324533595 /nfs/dbraw/zinc/53/35/95/324533595.db2.gz BSQCNNAUEJJUPB-ZNMIVQPWSA-N 2 0 236.403 2.711 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000568988894 326385005 /nfs/dbraw/zinc/38/50/05/326385005.db2.gz ZBBRYUMDAJSCOQ-QJPTWQEYSA-N 2 0 246.345 2.542 10 0 BFAERP CCCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127756 582503401 /nfs/dbraw/zinc/50/34/01/582503401.db2.gz HVQYEKMDVJKYES-KGLIPLIRSA-N 2 0 224.392 2.783 10 0 BFAERP C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400453878 533837536 /nfs/dbraw/zinc/83/75/36/533837536.db2.gz PKEZNVGGUCVZDZ-JSGCOSHPSA-N 2 0 238.419 2.790 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)C)C[C@H]1C ZINC000252475372 520596724 /nfs/dbraw/zinc/59/67/24/520596724.db2.gz ZDXRLQUXCNOFTA-CHWSQXEVSA-N 2 0 212.381 2.637 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH2+]CCC)C[C@H]1C ZINC000249884471 520597338 /nfs/dbraw/zinc/59/73/38/520597338.db2.gz PGZZLYMYRMVGRO-OLZOCXBDSA-N 2 0 212.381 2.639 10 0 BFAERP CC(C)C[N@@H+]1C[C@@H]2CCC[C@H](C[NH+](C)C)[C@H]2C1 ZINC000503720871 528026822 /nfs/dbraw/zinc/02/68/22/528026822.db2.gz WKDTVTPLLXPBOO-QLFBSQMISA-N 2 0 238.419 2.552 10 0 BFAERP CCCC[C@H](CC)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400398484 528914311 /nfs/dbraw/zinc/91/43/11/528914311.db2.gz PDHOQORGOGUVRL-IHRRRGAJSA-N 2 0 226.408 2.790 10 0 BFAERP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C(C)(C)C ZINC000309579892 529155218 /nfs/dbraw/zinc/15/52/18/529155218.db2.gz QASKFLGXQZATBD-GFCCVEGCSA-N 2 0 228.424 2.989 10 0 BFAERP CCC[N@@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757572985 586382430 /nfs/dbraw/zinc/38/24/30/586382430.db2.gz WBWKZESDPUCSON-HNNXBMFYSA-N 2 0 232.371 2.735 10 0 BFAERP CC1(c2ccc([C@H]3C[C@@H](C[NH3+])CC[NH2+]3)cc2)CC1 ZINC000757208437 586437905 /nfs/dbraw/zinc/43/79/05/586437905.db2.gz CRIVSLNVFUGBRX-SWLSCSKDSA-N 2 0 244.382 2.738 10 0 BFAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757219262 586442199 /nfs/dbraw/zinc/44/21/99/586442199.db2.gz WHJBCEFAIRGYGD-GMXABZIVSA-N 2 0 243.354 2.556 10 0 BFAERP [NH3+]C[C@H]1CCC[NH2+][C@H]1c1cscc1C(F)F ZINC000757231556 586443320 /nfs/dbraw/zinc/44/33/20/586443320.db2.gz IAFFSOGVFKVTAL-GMSGAONNSA-N 2 0 246.326 2.685 10 0 BFAERP C[C@H]1[NH2+]CCC[C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757236292 586443582 /nfs/dbraw/zinc/44/35/82/586443582.db2.gz NWDPZEBNCKQGLB-IAQYHMDHSA-N 2 0 244.382 2.878 10 0 BFAERP C[C@H]1C[NH2+]CC[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757237172 586443849 /nfs/dbraw/zinc/44/38/49/586443849.db2.gz PMFGZBLFJMHVPU-NHYWBVRUSA-N 2 0 244.382 2.736 10 0 BFAERP [NH3+]C[C@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757237903 586443920 /nfs/dbraw/zinc/44/39/20/586443920.db2.gz QUGYVTKMGHXBJA-XCBNKYQSSA-N 2 0 246.326 2.685 10 0 BFAERP CSCCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000235164252 635568109 /nfs/dbraw/zinc/56/81/09/635568109.db2.gz OWDDAJOWDPRGQS-ZDUSSCGKSA-N 2 0 244.448 2.642 10 0 BFAERP CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084219052 643549998 /nfs/dbraw/zinc/54/99/98/643549998.db2.gz RDSPOQIQFFAZKA-XQQFMLRXSA-N 2 0 212.381 2.672 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCC23CCC3)CC1 ZINC000714754041 712497951 /nfs/dbraw/zinc/49/79/51/712497951.db2.gz OWFRNMWWBPOZBD-CYBMUJFWSA-N 2 0 236.403 2.913 10 0 BFAERP Cc1cc(N2CCC(C(C)(C)C[NH3+])CC2)cc[nH+]1 ZINC000714484809 712491863 /nfs/dbraw/zinc/49/18/63/712491863.db2.gz FMCWRHDYSNPKCK-UHFFFAOYSA-N 2 0 247.386 2.591 10 0 BFAERP CC[C@@H](C1CCC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754458 712497843 /nfs/dbraw/zinc/49/78/43/712497843.db2.gz UPZAZFBDOLLYJL-ZDUSSCGKSA-N 2 0 224.392 2.768 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685953572 538897705 /nfs/dbraw/zinc/89/77/05/538897705.db2.gz IPDQFBPYUUAKGD-GFCCVEGCSA-N 2 0 224.392 2.767 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(CC)CC2 ZINC000685953990 538898877 /nfs/dbraw/zinc/89/88/77/538898877.db2.gz KEIKQAYBQUKYIC-MOKVOYLWSA-N 2 0 224.392 2.768 10 0 BFAERP CC(C)C(C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000576338140 365569537 /nfs/dbraw/zinc/56/95/37/365569537.db2.gz ROXIWVSUAWALEN-KGLIPLIRSA-N 2 0 240.435 2.892 10 0 BFAERP Cc1cc([C@H](C)[NH+]2CCC([NH3+])CC2)c(C)s1 ZINC000049508916 178244265 /nfs/dbraw/zinc/24/42/65/178244265.db2.gz WNDWZOQHVCSIDI-JTQLQIEISA-N 2 0 238.400 2.849 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000576528152 365619515 /nfs/dbraw/zinc/61/95/15/365619515.db2.gz DTRUQMREIWDPFO-HIFRSBDPSA-N 2 0 238.419 2.935 10 0 BFAERP CCC(CC)C[C@@H](C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000068591033 168367364 /nfs/dbraw/zinc/36/73/64/168367364.db2.gz ZTIWCHDIIPTXKU-STQMWFEESA-N 2 0 212.381 2.530 10 0 BFAERP C[NH2+]Cc1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000118390499 342790867 /nfs/dbraw/zinc/79/08/67/342790867.db2.gz SNRXWTRPGOZAIZ-LBPRGKRZSA-N 2 0 218.344 2.563 10 0 BFAERP C[NH2+]Cc1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000118390496 342790922 /nfs/dbraw/zinc/79/09/22/342790922.db2.gz SNRXWTRPGOZAIZ-GFCCVEGCSA-N 2 0 218.344 2.563 10 0 BFAERP CC(C)(C)c1ccc([C@@H]([NH3+])Cn2ccnc2)cc1 ZINC000019259331 187251555 /nfs/dbraw/zinc/25/15/55/187251555.db2.gz UEFOWPYODFOLCN-AWEZNQCLSA-N 2 0 243.354 2.881 10 0 BFAERP CCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000584047296 343306306 /nfs/dbraw/zinc/30/63/06/343306306.db2.gz GZVZSTUFPSXRHY-KBPBESRZSA-N 2 0 238.419 2.935 10 0 BFAERP C(C1CC[NH2+]CC1)C1CC[NH+](C2CCC2)CC1 ZINC000168889789 343621420 /nfs/dbraw/zinc/62/14/20/343621420.db2.gz WCXBRTFDFRZNLD-UHFFFAOYSA-N 2 0 236.403 2.641 10 0 BFAERP CC[C@H](CC[NH3+])[N@@H+]1CCCc2ccccc2C1 ZINC000062944372 187274081 /nfs/dbraw/zinc/27/40/81/187274081.db2.gz YIJNMBSWSMHNIL-OAHLLOKOSA-N 2 0 232.371 2.562 10 0 BFAERP CCCC1(C[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000062850537 187273496 /nfs/dbraw/zinc/27/34/96/187273496.db2.gz DQBUJOVAEJABSQ-CQSZACIVSA-N 2 0 238.419 2.888 10 0 BFAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC2CCC1CC2 ZINC000400021661 344228630 /nfs/dbraw/zinc/22/86/30/344228630.db2.gz NCZQFPUMVBXXCY-PFSRBDOWSA-N 2 0 236.403 2.544 10 0 BFAERP CC[N@H+](CCCCC[NH2+]C(C)C)[C@H](C)COC ZINC000052504974 169826507 /nfs/dbraw/zinc/82/65/07/169826507.db2.gz JYSSSLFJWQGXFW-CQSZACIVSA-N 2 0 244.423 2.512 10 0 BFAERP CC[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224401042 344915529 /nfs/dbraw/zinc/91/55/29/344915529.db2.gz DCKBAZAOUYNTDR-ZFWWWQNUSA-N 2 0 232.371 2.649 10 0 BFAERP CC[C@H]1CC[NH2+][C@@H](CNCc2ccccc2)C1 ZINC000132780097 345027082 /nfs/dbraw/zinc/02/70/82/345027082.db2.gz PQASKDLFKXLQHY-DZGCQCFKSA-N 2 0 232.371 2.554 10 0 BFAERP CCC1CC[NH+](C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503257 168528039 /nfs/dbraw/zinc/52/80/39/168528039.db2.gz LUSNSEYMTFUHSL-UONOGXRCSA-N 2 0 224.392 2.626 10 0 BFAERP CC1(C)CCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000335637302 345432239 /nfs/dbraw/zinc/43/22/39/345432239.db2.gz YUDMSJRNHUMAGC-HIFPTAJRSA-N 2 0 224.392 2.672 10 0 BFAERP [NH3+]Cc1ccc(C2CC(C[NH+]3CCCC3)C2)cc1 ZINC000137267545 345840321 /nfs/dbraw/zinc/84/03/21/345840321.db2.gz UZJKZWFRIKRJAQ-UHFFFAOYSA-N 2 0 244.382 2.735 10 0 BFAERP Cc1cccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000053859844 179065302 /nfs/dbraw/zinc/06/53/02/179065302.db2.gz KEZCQOLMLFWKRB-HOTGVXAUSA-N 2 0 246.398 2.944 10 0 BFAERP C[C@@H]([NH2+]CC1(C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000580181416 346616777 /nfs/dbraw/zinc/61/67/77/346616777.db2.gz RIIJJNXZRCIWNZ-CHWSQXEVSA-N 2 0 224.392 2.544 10 0 BFAERP Cc1ccccc1C[N@H+](C)Cc1occc1C[NH3+] ZINC000052547077 179269769 /nfs/dbraw/zinc/26/97/69/179269769.db2.gz IIUXBROEHSCSFU-UHFFFAOYSA-N 2 0 244.338 2.679 10 0 BFAERP Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053031413 179273203 /nfs/dbraw/zinc/27/32/03/179273203.db2.gz MYVSCNGSGFYMDF-AWEZNQCLSA-N 2 0 244.382 2.569 10 0 BFAERP Cc1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427388 179277206 /nfs/dbraw/zinc/27/72/06/179277206.db2.gz QUOVWIVIWQLLMZ-KBPBESRZSA-N 2 0 232.371 2.554 10 0 BFAERP Cc1ccccc1[C@@H](C)[NH+]1CCC[NH2+]CCC1 ZINC000049667727 179317119 /nfs/dbraw/zinc/31/71/19/179317119.db2.gz LPUMJZXDRIZKLV-CQSZACIVSA-N 2 0 232.371 2.741 10 0 BFAERP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C1CC1 ZINC000061992690 179336766 /nfs/dbraw/zinc/33/67/66/179336766.db2.gz VUZBRRBDJRSCQG-ZDUSSCGKSA-N 2 0 232.371 2.740 10 0 BFAERP CCCN(CCC)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000669381879 537997667 /nfs/dbraw/zinc/99/76/67/537997667.db2.gz YSYDRHLBXRQJJF-RDBSUJKOSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@]12CC[C@H](C[N@@H+]1Cc1ccccc1)C[C@@H]([NH3+])C2 ZINC000616581746 349285044 /nfs/dbraw/zinc/28/50/44/349285044.db2.gz AXOOPVLMVCEXFF-ARFHVFGLSA-N 2 0 244.382 2.778 10 0 BFAERP CC(C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000069797023 350402312 /nfs/dbraw/zinc/40/23/12/350402312.db2.gz NCMIJNPZDFPKGO-YPMHNXCESA-N 2 0 238.400 2.739 10 0 BFAERP CC[C@H](C[NH2+]C)N(CC)Cc1ccccc1 ZINC000052443710 351001309 /nfs/dbraw/zinc/00/13/09/351001309.db2.gz HXMIRGXYMPXNTC-CQSZACIVSA-N 2 0 220.360 2.507 10 0 BFAERP CCN1CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394865097 351859056 /nfs/dbraw/zinc/85/90/56/351859056.db2.gz ONQSKTUWJVAGJQ-ZIAGYGMSSA-N 2 0 236.403 2.783 10 0 BFAERP CC(C)([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000083332007 188270286 /nfs/dbraw/zinc/27/02/86/188270286.db2.gz VSUNLWHIVHLOIO-AWEZNQCLSA-N 2 0 232.371 2.778 10 0 BFAERP Cc1ccc(C)c(C[N@H+](CCC(N)=[NH2+])C2CC2)c1 ZINC000042548158 188293992 /nfs/dbraw/zinc/29/39/92/188293992.db2.gz PIVTZICKFNMVKA-UHFFFAOYSA-N 2 0 245.370 2.594 10 0 BFAERP CC(C)(C)C(=[NH2+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062994353 188304297 /nfs/dbraw/zinc/30/42/97/188304297.db2.gz SZTBNQVOHSUMQM-LBPRGKRZSA-N 2 0 237.391 2.570 10 0 BFAERP CC(C)[N@@H+](Cc1ccccc1)C[C@H](C)CC[NH3+] ZINC000130602780 363437422 /nfs/dbraw/zinc/43/74/22/363437422.db2.gz OMITXZJZBHXENN-CQSZACIVSA-N 2 0 234.387 2.882 10 0 BFAERP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CC1(C)C ZINC000397665521 355333397 /nfs/dbraw/zinc/33/33/97/355333397.db2.gz OYFJSZNMWJQQAY-FIYWTHMPSA-N 2 0 224.392 2.671 10 0 BFAERP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422970191 192529816 /nfs/dbraw/zinc/52/98/16/192529816.db2.gz VTAFTXFBEFAEMI-IQAUEXFUSA-N 2 0 244.382 2.520 10 0 BFAERP CCC(C)(C)CC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261608937 535350494 /nfs/dbraw/zinc/35/04/94/535350494.db2.gz BPOYKZWLESOYHI-LBPRGKRZSA-N 2 0 226.408 2.872 10 0 BFAERP Cc1c[nH+]ccc1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000192714868 357848892 /nfs/dbraw/zinc/84/88/92/357848892.db2.gz FGGQXICCEYIIRY-CQSZACIVSA-N 2 0 247.386 2.922 10 0 BFAERP CCC[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000134765236 358805337 /nfs/dbraw/zinc/80/53/37/358805337.db2.gz XUFYTJTXECUFCS-OCCSQVGLSA-N 2 0 224.392 2.637 10 0 BFAERP CCC[NH+]1CCC(C[NH2+]CC(C)(C)C)CC1 ZINC000105445911 358943564 /nfs/dbraw/zinc/94/35/64/358943564.db2.gz PUMSKXIVHQGUSN-UHFFFAOYSA-N 2 0 226.408 2.744 10 0 BFAERP Cc1cc(NC[C@@H]([NH3+])C(C)C)c2ccccc2[nH+]1 ZINC000070463579 359056443 /nfs/dbraw/zinc/05/64/43/359056443.db2.gz YZWBSKHEFMAIOR-CYBMUJFWSA-N 2 0 243.354 2.938 10 0 BFAERP CCCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000578497630 366580461 /nfs/dbraw/zinc/58/04/61/366580461.db2.gz PRFMLRCJXMKYIP-OLZOCXBDSA-N 2 0 224.392 2.544 10 0 BFAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CC=CCC1 ZINC000054602653 181344894 /nfs/dbraw/zinc/34/48/94/181344894.db2.gz QIGZUWPZIFOQBT-AVOUXACISA-N 2 0 234.387 2.687 10 0 BFAERP [NH3+]C1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000400026895 369341222 /nfs/dbraw/zinc/34/12/22/369341222.db2.gz PYIATPYTGBVZJQ-IOCOHYSWSA-N 2 0 236.403 2.672 10 0 BFAERP CC(C)[C@@H](C)[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230004291 371632800 /nfs/dbraw/zinc/63/28/00/371632800.db2.gz NROWYBPWIHSGFJ-CQSZACIVSA-N 2 0 234.387 2.882 10 0 BFAERP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)CC1 ZINC000037319096 168828605 /nfs/dbraw/zinc/82/86/05/168828605.db2.gz JNPSZPFHYHAVNU-VNQPRFMTSA-N 2 0 248.414 2.805 10 0 BFAERP CCC[NH+](CCC)C[C@H](C[NH3+])c1ccccc1 ZINC000035731303 169148822 /nfs/dbraw/zinc/14/88/22/169148822.db2.gz ZSYVYIAITJPORO-HNNXBMFYSA-N 2 0 234.387 2.851 10 0 BFAERP CCC[N@H+](CC1CC1)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000035452117 169137382 /nfs/dbraw/zinc/13/73/82/169137382.db2.gz WAKYUZDGGNXHKM-BPLDGKMQSA-N 2 0 238.419 2.872 10 0 BFAERP CCC[NH+](CCC)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731302 169147806 /nfs/dbraw/zinc/14/78/06/169147806.db2.gz ZSYVYIAITJPORO-OAHLLOKOSA-N 2 0 234.387 2.851 10 0 BFAERP CCC[N@H+](Cc1ccc(C[NH3+])cc1F)C(C)C ZINC000037095666 169174367 /nfs/dbraw/zinc/17/43/67/169174367.db2.gz JQKFXFFPRDDEMF-UHFFFAOYSA-N 2 0 238.350 2.905 10 0 BFAERP CCC[N@H+](CCC[NH3+])Cc1ccc(C)c(C)c1 ZINC000049668657 169155799 /nfs/dbraw/zinc/15/57/99/169155799.db2.gz CSVGQEGPTATMJE-UHFFFAOYSA-N 2 0 234.387 2.864 10 0 BFAERP c1cc(C[NH2+]C2CC2)cc(C[NH+]2CCCC2)c1 ZINC000052377357 183348838 /nfs/dbraw/zinc/34/88/38/183348838.db2.gz VYENTWDHDSTVKR-UHFFFAOYSA-N 2 0 230.355 2.534 10 0 BFAERP CCC[NH2+]C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000053031006 169262069 /nfs/dbraw/zinc/26/20/69/169262069.db2.gz QAGPVXIDNXDQHT-HNNXBMFYSA-N 2 0 238.419 2.888 10 0 BFAERP CCC[NH2+]Cc1coc(C[N@H+](C)CC(C)C)c1 ZINC000052452722 169268967 /nfs/dbraw/zinc/26/89/67/169268967.db2.gz LRTRWUHOCFGLDV-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000082646686 169275627 /nfs/dbraw/zinc/27/56/27/169275627.db2.gz RDANJHDVDQPYMF-KBPBESRZSA-N 2 0 226.408 2.743 10 0 BFAERP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361188 384206161 /nfs/dbraw/zinc/20/61/61/384206161.db2.gz NRANVGGGAFHGAX-MGPQQGTHSA-N 2 0 232.371 2.644 10 0 BFAERP C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000580827670 384452314 /nfs/dbraw/zinc/45/23/14/384452314.db2.gz BYCGEUQXGZIRFF-ZBFHGGJFSA-N 2 0 246.398 2.597 10 0 BFAERP CC(C)C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000019905764 384556076 /nfs/dbraw/zinc/55/60/76/384556076.db2.gz AVMGREGYUPCVHP-GFCCVEGCSA-N 2 0 214.397 2.598 10 0 BFAERP c1ccc2cc(C[NH2+]C[C@H]3CC[NH2+]C3)ccc2c1 ZINC000259033131 384958349 /nfs/dbraw/zinc/95/83/49/384958349.db2.gz ZXYYJERSRKXTQF-AWEZNQCLSA-N 2 0 240.350 2.539 10 0 BFAERP CC(C)(C[NH2+]C1CC[NH2+]CC1)C1CCCC1 ZINC000259262574 384960054 /nfs/dbraw/zinc/96/00/54/384960054.db2.gz ZHJBENPMOHXRPL-UHFFFAOYSA-N 2 0 224.392 2.544 10 0 BFAERP C(CC1CCCCCC1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398341884 385134647 /nfs/dbraw/zinc/13/46/47/385134647.db2.gz HAFSLNDOJXXGOG-AWEZNQCLSA-N 2 0 224.392 2.546 10 0 BFAERP CCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000309459152 385589934 /nfs/dbraw/zinc/58/99/34/385589934.db2.gz NKBUEVKAGLFINY-OCCSQVGLSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C(C)(C)C ZINC000336770242 386010613 /nfs/dbraw/zinc/01/06/13/386010613.db2.gz VLHPIZVLMXEMFG-NWDGAFQWSA-N 2 0 214.397 2.598 10 0 BFAERP CC1CCC(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415035070 386521041 /nfs/dbraw/zinc/52/10/41/386521041.db2.gz KLICOLFMEPTTKQ-CLRIEMFWSA-N 2 0 224.392 2.530 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000414790943 386544880 /nfs/dbraw/zinc/54/48/80/386544880.db2.gz AUYAQJDTMNOARF-MQYQWHSLSA-N 2 0 238.419 2.918 10 0 BFAERP CC(C)CC1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000391798272 386658550 /nfs/dbraw/zinc/65/85/50/386658550.db2.gz DZRIEGSKIRSQKZ-ZDUSSCGKSA-N 2 0 224.392 2.544 10 0 BFAERP [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000575439403 387123041 /nfs/dbraw/zinc/12/30/41/387123041.db2.gz JAKRQUPWZDVRBJ-SNVBAGLBSA-N 2 0 233.142 2.732 10 0 BFAERP CC(C)c1ccc([C@H]([NH3+])CCCC[NH3+])cc1 ZINC000575439422 387124232 /nfs/dbraw/zinc/12/42/32/387124232.db2.gz KGPWTHYKXMAATJ-CQSZACIVSA-N 2 0 220.360 2.939 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(Cl)c1F ZINC000575439777 387125248 /nfs/dbraw/zinc/12/52/48/387125248.db2.gz WLJGDARBFRNWGZ-SNVBAGLBSA-N 2 0 230.714 2.608 10 0 BFAERP CSc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000575438455 387128721 /nfs/dbraw/zinc/12/87/21/387128721.db2.gz KZEWPNDKUUPBSH-LBPRGKRZSA-N 2 0 224.373 2.537 10 0 BFAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000422725781 387636575 /nfs/dbraw/zinc/63/65/75/387636575.db2.gz CIIRXFQBAVPTTR-ZEIJEMSESA-N 2 0 248.345 2.759 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000422846872 387734304 /nfs/dbraw/zinc/73/43/04/387734304.db2.gz QNSDRKBWWPCICL-HIFRSBDPSA-N 2 0 238.419 2.935 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000422846873 387735062 /nfs/dbraw/zinc/73/50/62/387735062.db2.gz QNSDRKBWWPCICL-UKRRQHHQSA-N 2 0 238.419 2.935 10 0 BFAERP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422970196 387819371 /nfs/dbraw/zinc/81/93/71/387819371.db2.gz VTAFTXFBEFAEMI-WHPGWMBPSA-N 2 0 244.382 2.520 10 0 BFAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CC[NH2+]C1 ZINC000400528032 388002154 /nfs/dbraw/zinc/00/21/54/388002154.db2.gz QRQZIPDCGXIRLE-RFGFWPKPSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400528036 388002643 /nfs/dbraw/zinc/00/26/43/388002643.db2.gz QRQZIPDCGXIRLE-SYQHCUMBSA-N 2 0 224.392 2.543 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000160208852 388052818 /nfs/dbraw/zinc/05/28/18/388052818.db2.gz YUBODFUCQAKYAY-CFVMTHIKSA-N 2 0 232.371 2.773 10 0 BFAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646092999 388140848 /nfs/dbraw/zinc/14/08/48/388140848.db2.gz QHZXHSKUDANTJF-GBJTYRQASA-N 2 0 236.403 2.639 10 0 BFAERP Cc1ccc2[nH+]ccc(N[C@H]3CCC[NH2+]C3)c2c1 ZINC000073738647 388461934 /nfs/dbraw/zinc/46/19/34/388461934.db2.gz MSYZKRYEDMCIHZ-LBPRGKRZSA-N 2 0 241.338 2.707 10 0 BFAERP CC(C)C1([NH2+]CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000339509560 388484045 /nfs/dbraw/zinc/48/40/45/388484045.db2.gz SEFRGAYUTFJSQH-CYBMUJFWSA-N 2 0 224.392 2.639 10 0 BFAERP C([NH2+]C1CC[NH2+]CC1)C(C1CCC1)C1CCC1 ZINC000530210985 388627963 /nfs/dbraw/zinc/62/79/63/388627963.db2.gz KVMHAWIHMQIBCP-UHFFFAOYSA-N 2 0 236.403 2.544 10 0 BFAERP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400453881 533365653 /nfs/dbraw/zinc/36/56/53/533365653.db2.gz PKEZNVGGUCVZDZ-TZMCWYRMSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000400343470 533368438 /nfs/dbraw/zinc/36/84/38/533368438.db2.gz IEPDQTSRIXYIKK-OCCSQVGLSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)(C)[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000053702688 132363247 /nfs/dbraw/zinc/36/32/47/132363247.db2.gz SBTRTDNBCYKAFH-CYBMUJFWSA-N 2 0 247.386 2.686 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858781 134370298 /nfs/dbraw/zinc/37/02/98/134370298.db2.gz SPNCBOUPTILNOT-GJZGRUSLSA-N 2 0 238.419 2.983 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252512905 135091838 /nfs/dbraw/zinc/09/18/38/135091838.db2.gz DLHNMUKHODWIRF-BARDWOONSA-N 2 0 236.403 2.782 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000258646613 135133105 /nfs/dbraw/zinc/13/31/05/135133105.db2.gz DEDPAJCHMPQSAP-AWEZNQCLSA-N 2 0 232.371 2.554 10 0 BFAERP CC1CCC(C[NH2+]CCCC[NH+](C)C)CC1 ZINC000084339407 135210749 /nfs/dbraw/zinc/21/07/49/135210749.db2.gz IVSJXESAVWNBRN-UHFFFAOYSA-N 2 0 226.408 2.744 10 0 BFAERP CC(C)[NH2+]Cc1occc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484437 167123568 /nfs/dbraw/zinc/12/35/68/167123568.db2.gz FBWIUEOETHYBPM-LBPRGKRZSA-N 2 0 236.359 2.619 10 0 BFAERP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H]1CCCN1C ZINC000308699491 409903048 /nfs/dbraw/zinc/90/30/48/409903048.db2.gz IJVXQQMKGGCFKJ-RDBSUJKOSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)[NH2+]CCCC[N@H+](C)Cc1ccccc1 ZINC000037634887 167102645 /nfs/dbraw/zinc/10/26/45/167102645.db2.gz VYCRFSQUEHOZLZ-UHFFFAOYSA-N 2 0 234.387 2.897 10 0 BFAERP CC[NH+](CC)Cc1ccc([C@H](C)[NH3+])cc1 ZINC000058019898 169791492 /nfs/dbraw/zinc/79/14/92/169791492.db2.gz NEAXZSOGPFNLAN-NSHDSACASA-N 2 0 206.333 2.548 10 0 BFAERP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000300087631 411081591 /nfs/dbraw/zinc/08/15/91/411081591.db2.gz NBVZGBWNORTUPF-SOUVJXGZSA-N 2 0 246.398 2.952 10 0 BFAERP CC1(C)CCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000335637304 167907406 /nfs/dbraw/zinc/90/74/06/167907406.db2.gz YUDMSJRNHUMAGC-PNESKVBLSA-N 2 0 224.392 2.672 10 0 BFAERP CCC(C)(C)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049664992 168288455 /nfs/dbraw/zinc/28/84/55/168288455.db2.gz JSKUMFPFCSZXFU-VXGBXAGGSA-N 2 0 212.381 2.637 10 0 BFAERP CC[NH+]1CCC([C@H](C)[NH2+]C2CCCC2)CC1 ZINC000037208719 169957742 /nfs/dbraw/zinc/95/77/42/169957742.db2.gz BRANBAQSRXVPPA-LBPRGKRZSA-N 2 0 224.392 2.639 10 0 BFAERP CC[NH2+]CC1(C[N@H+](C)C[C@@H]2C[C@@H]2C)CCCC1 ZINC000104410728 170110185 /nfs/dbraw/zinc/11/01/85/170110185.db2.gz LORUVOLBWFUQOC-KBPBESRZSA-N 2 0 238.419 2.744 10 0 BFAERP CC[NH2+]CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095091527 170117215 /nfs/dbraw/zinc/11/72/15/170117215.db2.gz BGEZLGMKZBPRSL-OAHLLOKOSA-N 2 0 232.371 2.508 10 0 BFAERP CC[NH2+]CC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091552 170117663 /nfs/dbraw/zinc/11/76/63/170117663.db2.gz SVLRXLRAGLWNMO-INIZCTEOSA-N 2 0 246.398 2.898 10 0 BFAERP CC[NH2+]C[C@@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034217 170120048 /nfs/dbraw/zinc/12/00/48/170120048.db2.gz DIKRLGBJPANRPI-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+]Cc1ccoc1C[NH+]1CCCCCC1 ZINC000052381843 170129571 /nfs/dbraw/zinc/12/95/71/170129571.db2.gz FOJIFRHXXKBQGL-UHFFFAOYSA-N 2 0 236.359 2.765 10 0 BFAERP CC[NH2+]Cc1coc(C[N@H+](CC)CC(C)C)c1 ZINC000052449780 170130089 /nfs/dbraw/zinc/13/00/89/170130089.db2.gz BRGPQROGJBJQES-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000060743291 170150199 /nfs/dbraw/zinc/15/01/99/170150199.db2.gz ARWVMIXJKNEVSG-ZIAGYGMSSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2C)[C@H](C)C1 ZINC000049712989 170151680 /nfs/dbraw/zinc/15/16/80/170151680.db2.gz JXPROWQHAZTSRY-GDBMZVCRSA-N 2 0 246.398 2.957 10 0 BFAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1C ZINC000049709171 170151950 /nfs/dbraw/zinc/15/19/50/170151950.db2.gz CQFBLJSZURUHLC-GXTWGEPZSA-N 2 0 224.392 2.639 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2C)C[C@@H]1C ZINC000049712979 170152114 /nfs/dbraw/zinc/15/21/14/170152114.db2.gz GRDPACIOCJFHJL-GOEBONIOSA-N 2 0 246.398 2.815 10 0 BFAERP CC[NH2+][C@H](C)CCC[NH+]1Cc2ccccc2C1 ZINC000050910826 170157118 /nfs/dbraw/zinc/15/71/18/170157118.db2.gz WAPSZLZZSXADAR-CYBMUJFWSA-N 2 0 232.371 2.780 10 0 BFAERP CC[NH2+][C@H]1CC[N@@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709740 170166460 /nfs/dbraw/zinc/16/64/60/170166460.db2.gz CWWWIQYQLUGTSW-SHWKFHJASA-N 2 0 238.419 2.885 10 0 BFAERP CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1C ZINC000049709173 170166539 /nfs/dbraw/zinc/16/65/39/170166539.db2.gz CQFBLJSZURUHLC-JSGCOSHPSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]1CC[N@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000049664758 171012561 /nfs/dbraw/zinc/01/25/61/171012561.db2.gz ZDPWTLYBLVUTHV-MRXNPFEDSA-N 2 0 246.398 2.693 10 0 BFAERP CC[C@@H]1C[N@@H+](C2C[C@H](C)C[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000134101549 171077327 /nfs/dbraw/zinc/07/73/27/171077327.db2.gz PUWCTUFLCVJQFI-LJIAPDMLSA-N 2 0 238.419 2.870 10 0 BFAERP CC[C@@H]1C[NH2+]C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096985068 171101049 /nfs/dbraw/zinc/10/10/49/171101049.db2.gz ZPNZSWOGOBFLSW-CVEARBPZSA-N 2 0 244.382 2.508 10 0 BFAERP CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665236370 412175638 /nfs/dbraw/zinc/17/56/38/412175638.db2.gz LKLBYPVRIXMUOL-FRRDWIJNSA-N 2 0 226.408 2.789 10 0 BFAERP C[C@H]1CC(C[NH2+][C@@H]2CCC[NH2+]CC2)C[C@H](C)C1 ZINC000665239700 412179208 /nfs/dbraw/zinc/17/92/08/412179208.db2.gz XSGGDZGFSXEQNY-UMVBOHGHSA-N 2 0 238.419 2.790 10 0 BFAERP C[NH2+]C(C)(C)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000061319618 173318945 /nfs/dbraw/zinc/31/89/45/173318945.db2.gz SEIZPBYAWQZKKZ-STQMWFEESA-N 2 0 224.392 2.639 10 0 BFAERP C[NH2+]CC1(C[N@H+](C)CC2CCCC2)CCCC1 ZINC000104350997 173337498 /nfs/dbraw/zinc/33/74/98/173337498.db2.gz MCFHKNRVHNRKFO-UHFFFAOYSA-N 2 0 238.419 2.888 10 0 BFAERP C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000052541439 173349750 /nfs/dbraw/zinc/34/97/50/173349750.db2.gz UYJKJHWIOXYNBB-GFCCVEGCSA-N 2 0 238.350 2.646 10 0 BFAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCCC1(C)C ZINC000063073971 173390781 /nfs/dbraw/zinc/39/07/81/173390781.db2.gz RKJZRXUIFWNJQI-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP C[NH2+]Cc1oc(C[NH+]2CCC(C)CC2)cc1C ZINC000052377242 173399557 /nfs/dbraw/zinc/39/95/57/173399557.db2.gz LXLAHSDIFSWSPF-UHFFFAOYSA-N 2 0 236.359 2.539 10 0 BFAERP COc1ccc(C[NH3+])cc1C[N@@H+]1CCCC1(C)C ZINC000063066918 175097837 /nfs/dbraw/zinc/09/78/37/175097837.db2.gz YWOHUXLDCWLBSM-UHFFFAOYSA-N 2 0 248.370 2.528 10 0 BFAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cccs1 ZINC000100256567 175918392 /nfs/dbraw/zinc/91/83/92/175918392.db2.gz HBBCVNYYJWJBFD-MXWKQRLJSA-N 2 0 224.373 2.669 10 0 BFAERP C[C@@H](c1cccs1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000049717060 176032601 /nfs/dbraw/zinc/03/26/01/176032601.db2.gz JBDXOVDMCLTSJR-RYUDHWBXSA-N 2 0 238.400 2.883 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000049819832 176070985 /nfs/dbraw/zinc/07/09/85/176070985.db2.gz MHPKJCNBNGDHCD-CYBMUJFWSA-N 2 0 224.392 2.770 10 0 BFAERP C[C@@H]1CCC[N@H+](CC2(C[NH3+])CCCC2)[C@@H]1C ZINC000051249256 176097106 /nfs/dbraw/zinc/09/71/06/176097106.db2.gz JBFSEPMSHRUVNM-CHWSQXEVSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1CC[NH+](CC2CCCC2)CC[C@@H](C)[NH2+]1 ZINC000049666014 176168325 /nfs/dbraw/zinc/16/83/25/176168325.db2.gz MYEKSRQOIYZYQY-CHWSQXEVSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]1CC[N@H+](CC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000051746710 176168655 /nfs/dbraw/zinc/16/86/55/176168655.db2.gz RGVFVXWGVNLHAJ-IWMBGFJWSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000052484694 176176272 /nfs/dbraw/zinc/17/62/72/176176272.db2.gz PSLXHXQYFZAGTL-CYBMUJFWSA-N 2 0 244.382 2.780 10 0 BFAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCc3ccccc3C2)C1 ZINC000034781422 176208978 /nfs/dbraw/zinc/20/89/78/176208978.db2.gz LTPYDUURZCTDIC-DAXOMENPSA-N 2 0 244.382 2.561 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694217 176370615 /nfs/dbraw/zinc/37/06/15/176370615.db2.gz WNZWNQXTGGXDPC-OMBAJQCTSA-N 2 0 248.414 2.767 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1(C)CCCCC1 ZINC000045046050 176371861 /nfs/dbraw/zinc/37/18/61/176371861.db2.gz NFVQOJBLOINVDM-NEPJUHHUSA-N 2 0 210.365 2.521 10 0 BFAERP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000104417811 176392196 /nfs/dbraw/zinc/39/21/96/176392196.db2.gz UEVKXXZCYBCXEP-BNOWGMLFSA-N 2 0 245.370 2.642 10 0 BFAERP C[C@@H]1C([NH3+])[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592758 177060448 /nfs/dbraw/zinc/06/04/48/177060448.db2.gz ZOZDGKPSUAGAMX-RQPOKHFESA-N 2 0 246.398 2.879 10 0 BFAERP C[C@H]1CCCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055015011 177078529 /nfs/dbraw/zinc/07/85/29/177078529.db2.gz MLPTVOIZOMULKB-ZFWWWQNUSA-N 2 0 232.371 2.951 10 0 BFAERP C[C@H]1CCCC[C@H]1[N@H+](C)C1CCC([NH3+])CC1 ZINC000055144609 177087558 /nfs/dbraw/zinc/08/75/58/177087558.db2.gz ZRBFQOFIMOWNNN-GFJIZPEISA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(C)(C)C[NH2+]C1CC1 ZINC000051249267 177096079 /nfs/dbraw/zinc/09/60/79/177096079.db2.gz WEXXZBMUUIEPBA-QWHCGFSZSA-N 2 0 238.419 2.885 10 0 BFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000051249257 177096760 /nfs/dbraw/zinc/09/67/60/177096760.db2.gz JBFSEPMSHRUVNM-QWHCGFSZSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000050565057 177099452 /nfs/dbraw/zinc/09/94/52/177099452.db2.gz IMURLLRMJDYPHZ-NWDGAFQWSA-N 2 0 245.370 2.591 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000019512929 177117838 /nfs/dbraw/zinc/11/78/38/177117838.db2.gz QMSDCZPYNCALQV-TXEJJXNPSA-N 2 0 245.370 2.734 10 0 BFAERP C[C@H]1CCC[C@@H]([N@H+](C)C2(CN)CCCC2)C1 ZINC000042492446 177120835 /nfs/dbraw/zinc/12/08/35/177120835.db2.gz DTXROVOXKHXSII-QWHCGFSZSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000049332354 177136836 /nfs/dbraw/zinc/13/68/36/177136836.db2.gz UYXJWOLVFHYYHK-ZNMIVQPWSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CCC2CCCC2)C1 ZINC000049666897 177158120 /nfs/dbraw/zinc/15/81/20/177158120.db2.gz MIJJOZILIUEPIL-KGLIPLIRSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]1CC[NH+](CC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666012 177158663 /nfs/dbraw/zinc/15/86/63/177158663.db2.gz MYEKSRQOIYZYQY-STQMWFEESA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666701 177169461 /nfs/dbraw/zinc/16/94/61/177169461.db2.gz NOCQRURULMFUTP-MJBXVCDLSA-N 2 0 247.386 2.605 10 0 BFAERP C[C@@H](Cc1ccccc1)[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000062191237 177169827 /nfs/dbraw/zinc/16/98/27/177169827.db2.gz KKMRPBAAJBMJES-GJZGRUSLSA-N 2 0 246.398 2.692 10 0 BFAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000053860444 177312605 /nfs/dbraw/zinc/31/26/05/177312605.db2.gz MZLBPGBUVJYJDG-MRLBHPIUSA-N 2 0 238.419 2.728 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@@H+](CC(C)(C)C[NH2+]C2CC2)C1 ZINC000051206923 177313405 /nfs/dbraw/zinc/31/34/05/177313405.db2.gz QPWCQXGAIUHYMJ-BETUJISGSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053860475 177313858 /nfs/dbraw/zinc/31/38/58/177313858.db2.gz LOSRMQWHKDCOES-XGUBFFRZSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000021951951 177314210 /nfs/dbraw/zinc/31/42/10/177314210.db2.gz QDIVFRZYKVUFLA-BETUJISGSA-N 2 0 232.371 2.623 10 0 BFAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1CCCCCCC1 ZINC000049707700 177363999 /nfs/dbraw/zinc/36/39/99/177363999.db2.gz BAOHBKTZUAJWCP-QWHCGFSZSA-N 2 0 224.392 2.911 10 0 BFAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1(C)CCCCC1 ZINC000045046048 177364691 /nfs/dbraw/zinc/36/46/91/177364691.db2.gz NFVQOJBLOINVDM-NWDGAFQWSA-N 2 0 210.365 2.521 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400362462 225099218 /nfs/dbraw/zinc/09/92/18/225099218.db2.gz OAMWURFYXLXZOW-YDHLFZDLSA-N 2 0 232.371 2.644 10 0 BFAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400415425 225222365 /nfs/dbraw/zinc/22/23/65/225222365.db2.gz UYMPGVHCSRBVAQ-VXGBXAGGSA-N 2 0 226.408 2.646 10 0 BFAERP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400508159 226345286 /nfs/dbraw/zinc/34/52/86/226345286.db2.gz KRMZLOFBGYVVQL-MAZHCROVSA-N 2 0 244.382 2.725 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400517274 226345511 /nfs/dbraw/zinc/34/55/11/226345511.db2.gz GLZSQALILQXJRR-UONOGXRCSA-N 2 0 246.398 2.552 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000400737866 226350687 /nfs/dbraw/zinc/35/06/87/226350687.db2.gz SBDXLEAJGRTQNP-QLFBSQMISA-N 2 0 246.398 2.952 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000400737867 226350720 /nfs/dbraw/zinc/35/07/20/226350720.db2.gz SBDXLEAJGRTQNP-SOUVJXGZSA-N 2 0 246.398 2.952 10 0 BFAERP C[C@H]([NH2+]CC1(C)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000569566619 322970447 /nfs/dbraw/zinc/97/04/47/322970447.db2.gz DVKSAJXOFNJQOJ-UONOGXRCSA-N 2 0 238.419 2.935 10 0 BFAERP C[C@@H]([NH2+]CC1(C)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000569566618 322970503 /nfs/dbraw/zinc/97/05/03/322970503.db2.gz DVKSAJXOFNJQOJ-KGLIPLIRSA-N 2 0 238.419 2.935 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2CCCC23CCC3)C[C@@]1(C)C[NH3+] ZINC000394758422 323107835 /nfs/dbraw/zinc/10/78/35/323107835.db2.gz ZSMVOYMQFSPUDF-HZSPNIEDSA-N 2 0 236.403 2.626 10 0 BFAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567645925 326238023 /nfs/dbraw/zinc/23/80/23/326238023.db2.gz JCVLDVWWLHWNNY-QWHCGFSZSA-N 2 0 226.408 2.790 10 0 BFAERP Cc1cscc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572749547 326408525 /nfs/dbraw/zinc/40/85/25/326408525.db2.gz OJAPBWZDZXPJCJ-RYUDHWBXSA-N 2 0 238.400 2.534 10 0 BFAERP CC(C)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000319545637 488058502 /nfs/dbraw/zinc/05/85/02/488058502.db2.gz NZHJOEAQYWRAGX-BMFZPTHFSA-N 2 0 246.398 2.705 10 0 BFAERP C[N@H+](CCC(C)(C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000406069676 487498884 /nfs/dbraw/zinc/49/88/84/487498884.db2.gz QQIKGOBKZSMEOK-CQSZACIVSA-N 2 0 238.419 2.887 10 0 BFAERP C1CC(C2CCC([NH2+]C3CC[NH2+]CC3)CC2)C1 ZINC000665282802 491107881 /nfs/dbraw/zinc/10/78/81/491107881.db2.gz CCOMOLKNTGYNHL-UHFFFAOYSA-N 2 0 236.403 2.687 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757131126 582506005 /nfs/dbraw/zinc/50/60/05/582506005.db2.gz PILGFWBOIHHMLK-OCCSQVGLSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400453877 533838186 /nfs/dbraw/zinc/83/81/86/533838186.db2.gz PKEZNVGGUCVZDZ-GXTWGEPZSA-N 2 0 238.419 2.790 10 0 BFAERP CC(C)C[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000242620170 519731260 /nfs/dbraw/zinc/73/12/60/519731260.db2.gz PWEIUIPUEISWCC-CHWSQXEVSA-N 2 0 226.408 2.741 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000252474307 519863745 /nfs/dbraw/zinc/86/37/45/519863745.db2.gz APBZMGNEBUOJKJ-NEPJUHHUSA-N 2 0 212.381 2.637 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH+](CC)CC)C[C@H]1C ZINC000242648565 519864100 /nfs/dbraw/zinc/86/41/00/519864100.db2.gz RAKQYTWEXQVFNT-OLZOCXBDSA-N 2 0 212.381 2.591 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH+](CC)CC)C[C@H]1C ZINC000252475258 520595819 /nfs/dbraw/zinc/59/58/19/520595819.db2.gz XBBXLGXLFDDTMV-ZIAGYGMSSA-N 2 0 226.408 2.981 10 0 BFAERP C[C@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000247954484 525101510 /nfs/dbraw/zinc/10/15/10/525101510.db2.gz ZOZDGKPSUAGAMX-LRDNVRMFSA-N 2 0 246.398 2.879 10 0 BFAERP CC(C)(C[NH2+][C@@H]1CCC[NH2+]CC1)C1=CCCC1 ZINC000308758934 527176401 /nfs/dbraw/zinc/17/64/01/527176401.db2.gz SPBYXBPROYUFLE-CQSZACIVSA-N 2 0 236.403 2.855 10 0 BFAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000400533707 527752394 /nfs/dbraw/zinc/75/23/94/527752394.db2.gz SKCYZGCHCCCRQT-QWHCGFSZSA-N 2 0 224.392 2.544 10 0 BFAERP CCC1CCC(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400335536 527832177 /nfs/dbraw/zinc/83/21/77/527832177.db2.gz HFMRQPXSKQHOOR-URGYJCLVSA-N 2 0 238.419 2.790 10 0 BFAERP CCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400420642 528928162 /nfs/dbraw/zinc/92/81/62/528928162.db2.gz WSSQMGWTEKGDIU-RDBSUJKOSA-N 2 0 226.408 2.933 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252512909 535824722 /nfs/dbraw/zinc/82/47/22/535824722.db2.gz DLHNMUKHODWIRF-QPSCCSFWSA-N 2 0 236.403 2.782 10 0 BFAERP CC(C)[NH+](C(C)C)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675052983 537861546 /nfs/dbraw/zinc/86/15/46/537861546.db2.gz DAGLSBQCNKFLDS-OLZOCXBDSA-N 2 0 212.381 2.623 10 0 BFAERP C[NH+]1CCC(C)(C[NH2+]CCc2ccccc2)CC1 ZINC000221264129 583177393 /nfs/dbraw/zinc/17/73/93/583177393.db2.gz UHLZQYPWEKODPG-UHFFFAOYSA-N 2 0 246.398 2.551 10 0 BFAERP CC1(c2ccc([C@H]3CC[C@H](CN)[NH2+]C3)cc2)CC1 ZINC000757206753 586437281 /nfs/dbraw/zinc/43/72/81/586437281.db2.gz AMZXPDIZXMPEAZ-DZGCQCFKSA-N 2 0 244.382 2.532 10 0 BFAERP C[C@@H]1C[C@@H](C)[NH2+][C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757211837 586439082 /nfs/dbraw/zinc/43/90/82/586439082.db2.gz IWSUHPRSQFBFFN-GYSYKLTISA-N 2 0 218.344 2.594 10 0 BFAERP CC1(c2ccc([C@H]3CC[C@H](C[NH3+])C[NH2+]3)cc2)CC1 ZINC000757217686 586441502 /nfs/dbraw/zinc/44/15/02/586441502.db2.gz RYBQVXCYEXUUBU-IUODEOHRSA-N 2 0 244.382 2.738 10 0 BFAERP C[C@H]1C[NH2+]C[C@H](c2ccc(C3CC3)c(C[NH3+])c2)C1 ZINC000757227059 586442851 /nfs/dbraw/zinc/44/28/51/586442851.db2.gz ASHGMUVAUOOZGN-IAQYHMDHSA-N 2 0 244.382 2.736 10 0 BFAERP C[C@@H](C[NH2+]CCc1ccccc1)C[NH+]1CCCC1 ZINC000057994203 640659334 /nfs/dbraw/zinc/65/93/34/640659334.db2.gz HLEYVOJOAUTKDI-HNNXBMFYSA-N 2 0 246.398 2.551 10 0 BFAERP CCCCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231668814 641192993 /nfs/dbraw/zinc/19/29/93/641192993.db2.gz ZDCXODYZYLCEHR-ZDUSSCGKSA-N 2 0 212.381 2.641 10 0 BFAERP [NH3+]Cc1cc([C@@H]2CCCC[NH2+]2)ccc1C1CC1 ZINC000757232567 643374226 /nfs/dbraw/zinc/37/42/26/643374226.db2.gz IZENDBMWGKVHMF-HNNXBMFYSA-N 2 0 230.355 2.837 10 0 BFAERP C[C@H](C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709178902 712203501 /nfs/dbraw/zinc/20/35/01/712203501.db2.gz RKJPNLLNGRJTLA-RWMBFGLXSA-N 2 0 226.408 2.585 10 0 BFAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378831184 712363582 /nfs/dbraw/zinc/36/35/82/712363582.db2.gz RZWAGXUKJKGSDL-GJZGRUSLSA-N 2 0 236.403 2.641 10 0 BFAERP CC[C@@H](C)[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714749962 712496724 /nfs/dbraw/zinc/49/67/24/712496724.db2.gz JOENZMBPPJORIY-VXGBXAGGSA-N 2 0 212.381 2.624 10 0 BFAERP CC[C@H](C)[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714749961 712496909 /nfs/dbraw/zinc/49/69/09/712496909.db2.gz JOENZMBPPJORIY-RYUDHWBXSA-N 2 0 212.381 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H](C)C2CCCC2)CC1 ZINC000714752924 712497037 /nfs/dbraw/zinc/49/70/37/712497037.db2.gz FMVRAUOPJPGOCN-LBPRGKRZSA-N 2 0 224.392 2.768 10 0 BFAERP CCC[C@H](CC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754264 712497669 /nfs/dbraw/zinc/49/76/69/712497669.db2.gz QTQJAGPNKYDFHF-LBPRGKRZSA-N 2 0 212.381 2.768 10 0 BFAERP CC[C@H](C1CCC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754457 712497794 /nfs/dbraw/zinc/49/77/94/712497794.db2.gz UPZAZFBDOLLYJL-CYBMUJFWSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@H]([NH2+]CCCCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000716376570 712557301 /nfs/dbraw/zinc/55/73/01/712557301.db2.gz ABIXZNNBEWAKLK-GXTWGEPZSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC[C@@H]2C ZINC000685955292 538900312 /nfs/dbraw/zinc/90/03/12/538900312.db2.gz XJQTYBFEUIBKIB-RFGFWPKPSA-N 2 0 224.392 2.623 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000576528154 365619209 /nfs/dbraw/zinc/61/92/09/365619209.db2.gz DTRUQMREIWDPFO-UKRRQHHQSA-N 2 0 238.419 2.935 10 0 BFAERP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@@H]1CC1(C)C ZINC000397767848 262932795 /nfs/dbraw/zinc/93/27/95/262932795.db2.gz GOAODXZLCKLDIW-AGIUHOORSA-N 2 0 226.408 2.741 10 0 BFAERP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400726852 529722102 /nfs/dbraw/zinc/72/21/02/529722102.db2.gz PPHOIMLLAUIIRC-WOSRLPQWSA-N 2 0 246.398 2.898 10 0 BFAERP CC(C)[C@H](c1cccs1)[NH+]1CCC([NH3+])CC1 ZINC000042323122 187266069 /nfs/dbraw/zinc/26/60/69/187266069.db2.gz PYCAGBQFHCDUIC-CYBMUJFWSA-N 2 0 238.400 2.868 10 0 BFAERP CC(C)[N@@H+](Cc1cccc(C(N)=[NH2+])c1)CC1CC1 ZINC000042584223 187266556 /nfs/dbraw/zinc/26/65/56/187266556.db2.gz AJIOARCTGAKQCA-UHFFFAOYSA-N 2 0 245.370 2.591 10 0 BFAERP C[N@@H+]1CCC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC000044534345 187268306 /nfs/dbraw/zinc/26/83/06/187268306.db2.gz DQXFCADKABGVMQ-INIZCTEOSA-N 2 0 246.398 2.551 10 0 BFAERP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@H]1[NH3+] ZINC000249705319 362276945 /nfs/dbraw/zinc/27/69/45/362276945.db2.gz HTTARJQCGFRWMQ-LSDHHAIUSA-N 2 0 232.371 2.636 10 0 BFAERP C[C@H](CC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998189 345197211 /nfs/dbraw/zinc/19/72/11/345197211.db2.gz BZPYPQUNPPUBBJ-YCPHGPKFSA-N 2 0 246.398 2.707 10 0 BFAERP C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000142153135 345856740 /nfs/dbraw/zinc/85/67/40/345856740.db2.gz CTHAKBRIQNCWOJ-AWEZNQCLSA-N 2 0 232.371 2.507 10 0 BFAERP Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C)cc1Cl ZINC000082328948 537969083 /nfs/dbraw/zinc/96/90/83/537969083.db2.gz NOMFBKJFUXAJSA-AAEUAGOBSA-N 2 0 238.762 2.742 10 0 BFAERP Cc1cccc(C[N@@H+]2CCC[NH2+][C@H](C)CC2)c1 ZINC000044390358 179073039 /nfs/dbraw/zinc/07/30/39/179073039.db2.gz ZYAISSVLKVARFY-CQSZACIVSA-N 2 0 232.371 2.569 10 0 BFAERP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000394515851 346542659 /nfs/dbraw/zinc/54/26/59/346542659.db2.gz MFIKHFIXWPWQBD-RFQIPJPRSA-N 2 0 224.392 2.624 10 0 BFAERP Cc1ccccc1C[N@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578496 179270204 /nfs/dbraw/zinc/27/02/04/179270204.db2.gz GLIYHFPVTOOOFC-ZBFHGGJFSA-N 2 0 246.398 2.944 10 0 BFAERP Cc1ccccc1C[N@H+](C)CCCC[NH2+]C1CC1 ZINC000052547012 179269474 /nfs/dbraw/zinc/26/94/74/179269474.db2.gz RLRHVFGVRXBULJ-UHFFFAOYSA-N 2 0 246.398 2.959 10 0 BFAERP Cc1ccccc1C[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062615840 179273164 /nfs/dbraw/zinc/27/31/64/179273164.db2.gz RWAYRNMCHVWRBH-UHFFFAOYSA-N 2 0 232.371 2.569 10 0 BFAERP Cc1ccccc1C[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666760 179275821 /nfs/dbraw/zinc/27/58/21/179275821.db2.gz OZFIJOXGQMYZEN-OKILXGFUSA-N 2 0 246.398 2.672 10 0 BFAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000049713916 179336023 /nfs/dbraw/zinc/33/60/23/179336023.db2.gz LAYJFHCECWNEIF-IHRRRGAJSA-N 2 0 232.371 2.868 10 0 BFAERP CCCN(CCC)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000669381877 537997937 /nfs/dbraw/zinc/99/79/37/537997937.db2.gz YSYDRHLBXRQJJF-MCIONIFRSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CCC1CCCCCC1 ZINC000394652156 349034036 /nfs/dbraw/zinc/03/40/36/349034036.db2.gz ZMVVTQULGRIXQA-OCCSQVGLSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@@H](C[NH2+]C1CC1)C[N@H+](C)Cc1ccccc1 ZINC000052417421 350991748 /nfs/dbraw/zinc/99/17/48/350991748.db2.gz MYMISAURLNHQPL-ZDUSSCGKSA-N 2 0 232.371 2.507 10 0 BFAERP C[C@@H]1C[C@@H](C)C[NH+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725269577 538101718 /nfs/dbraw/zinc/10/17/18/538101718.db2.gz AIIDWPGQQLBZLW-MHVQSMCWSA-N 2 0 236.403 2.624 10 0 BFAERP CC(C)C[NH+](CCC[NH2+]C1CC1)CC(C)C ZINC000042375177 538106634 /nfs/dbraw/zinc/10/66/34/538106634.db2.gz ODGBCOZIHFIIPS-UHFFFAOYSA-N 2 0 226.408 2.743 10 0 BFAERP Cc1ccc(C)c(C[N@@H+](CCC(N)=[NH2+])C(C)C)c1 ZINC000042529788 188294073 /nfs/dbraw/zinc/29/40/73/188294073.db2.gz LTZXBBXACWVWAZ-UHFFFAOYSA-N 2 0 247.386 2.840 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000040502151 358492861 /nfs/dbraw/zinc/49/28/61/358492861.db2.gz YIHBXWWYVCPVAO-ZFWWWQNUSA-N 2 0 232.371 2.822 10 0 BFAERP NC(=[NH2+])CCCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000049579749 181187068 /nfs/dbraw/zinc/18/70/68/181187068.db2.gz FHNIZKYLXJMZIR-QWHCGFSZSA-N 2 0 237.391 2.747 10 0 BFAERP NC(=[NH2+])CCN(c1ccccc1)c1cc[nH+]cc1 ZINC000019505474 181186737 /nfs/dbraw/zinc/18/67/37/181186737.db2.gz XMVCEMIVTYLMBD-UHFFFAOYSA-N 2 0 240.310 2.546 10 0 BFAERP CC1CCC(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415035073 191659178 /nfs/dbraw/zinc/65/91/78/191659178.db2.gz KLICOLFMEPTTKQ-NWINJMCUSA-N 2 0 224.392 2.530 10 0 BFAERP C[C@@H]1CCC[N@H+](C2CC3(C2)CC[NH2+]CC3)[C@@H]1C ZINC000675069272 538498356 /nfs/dbraw/zinc/49/83/56/538498356.db2.gz DVIPKKBDSCCIGT-CHWSQXEVSA-N 2 0 236.403 2.639 10 0 BFAERP CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CCCC1 ZINC000582779544 357390690 /nfs/dbraw/zinc/39/06/90/357390690.db2.gz SPIAHDYBAORNQG-KBPBESRZSA-N 2 0 238.419 2.935 10 0 BFAERP Cc1cc(NCC[C@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000063171617 357552522 /nfs/dbraw/zinc/55/25/22/357552522.db2.gz BKMQHBPYCIVIBG-JTQLQIEISA-N 2 0 229.327 2.692 10 0 BFAERP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000192319646 357830052 /nfs/dbraw/zinc/83/00/52/357830052.db2.gz NHOSBJCOSZRPJF-AGUYFDCRSA-N 2 0 222.376 2.558 10 0 BFAERP CCC[N@H+](CCCC[NH3+])C1Cc2ccccc2C1 ZINC000584615165 358279826 /nfs/dbraw/zinc/27/98/26/358279826.db2.gz LBCNLIPQWQMKLD-UHFFFAOYSA-N 2 0 246.398 2.605 10 0 BFAERP CC[C@H]1CC[C@H](CC[NH+]2CCCCC2)[NH2+]C1 ZINC000584651783 358307257 /nfs/dbraw/zinc/30/72/57/358307257.db2.gz HKFNEEYBHYYRTG-UONOGXRCSA-N 2 0 224.392 2.641 10 0 BFAERP CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@@H]1[NH3+] ZINC000053864841 358430902 /nfs/dbraw/zinc/43/09/02/358430902.db2.gz HTTARJQCGFRWMQ-CABCVRRESA-N 2 0 232.371 2.636 10 0 BFAERP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000070281811 359048486 /nfs/dbraw/zinc/04/84/86/359048486.db2.gz NHYJZRVGCJQECM-LSDHHAIUSA-N 2 0 232.371 2.677 10 0 BFAERP CCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000578497632 366580437 /nfs/dbraw/zinc/58/04/37/366580437.db2.gz PRFMLRCJXMKYIP-STQMWFEESA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089147809 359993908 /nfs/dbraw/zinc/99/39/08/359993908.db2.gz ZNLYQHCRJXKHBZ-FVQBIDKESA-N 2 0 246.398 2.725 10 0 BFAERP [NH3+]CC1(C[NH2+]Cc2ccccc2)CCCCC1 ZINC000138113687 360047974 /nfs/dbraw/zinc/04/79/74/360047974.db2.gz CCUNSBGHKZAEHE-UHFFFAOYSA-N 2 0 232.371 2.685 10 0 BFAERP CC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000306603861 360531856 /nfs/dbraw/zinc/53/18/56/360531856.db2.gz XXDDAPSXPJJOQQ-SWLSCSKDSA-N 2 0 245.370 2.626 10 0 BFAERP C1CC1[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414837108 200767130 /nfs/dbraw/zinc/76/71/30/200767130.db2.gz VOKWOYWEPHJZBL-BLNMRFBMSA-N 2 0 248.414 2.828 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000579461687 366813622 /nfs/dbraw/zinc/81/36/22/366813622.db2.gz QIZUZAXINAOLOP-YUELXQCFSA-N 2 0 238.419 2.933 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2[C@H](C)CCC[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000379749442 361479773 /nfs/dbraw/zinc/47/97/73/361479773.db2.gz IIDRXKCYKWSXEH-QKGCVVFFSA-N 2 0 238.419 2.728 10 0 BFAERP C[C@H]([NH2+]C[C@H]1CCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000573711430 364899085 /nfs/dbraw/zinc/89/90/85/364899085.db2.gz SKSXINQMEGSOKH-BFHYXJOUSA-N 2 0 238.419 2.790 10 0 BFAERP [NH3+]CCCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598406 181375559 /nfs/dbraw/zinc/37/55/59/181375559.db2.gz ZCTBHWIMYNDGLI-HNNXBMFYSA-N 2 0 232.371 2.605 10 0 BFAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000574069926 364980036 /nfs/dbraw/zinc/98/00/36/364980036.db2.gz DDLDDJNPZZIDDJ-MBNYWOFBSA-N 2 0 224.392 2.543 10 0 BFAERP CC(C)(C[NH2+][C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000384987621 367769820 /nfs/dbraw/zinc/76/98/20/367769820.db2.gz SGVRQUNZKUWFBR-ZDUSSCGKSA-N 2 0 224.392 2.544 10 0 BFAERP [NH3+][C@@H](CC[NH+]1CCCCCC1)c1ccccc1 ZINC000020071989 181543062 /nfs/dbraw/zinc/54/30/62/181543062.db2.gz PZYXMDKZMDBTOJ-HNNXBMFYSA-N 2 0 232.371 2.953 10 0 BFAERP CC[C@@H](C)[C@H](CN(C)Cc1ccccc1)[NH2+]C ZINC000132306436 371791895 /nfs/dbraw/zinc/79/18/95/371791895.db2.gz ILIVLFKRENXGTA-HIFRSBDPSA-N 2 0 234.387 2.753 10 0 BFAERP CCCC[C@H]([NH3+])C[N@H+](CCOC)C(CC)CC ZINC000042696957 169008890 /nfs/dbraw/zinc/00/88/90/169008890.db2.gz UTUQRCSHPLVSQR-ZDUSSCGKSA-N 2 0 244.423 2.641 10 0 BFAERP CCC[N@H+](C)C[C@@H](C)[C@H]([NH2+]C)c1ccccc1 ZINC000053939297 169079723 /nfs/dbraw/zinc/07/97/23/169079723.db2.gz MPLCBLKKUGIEIY-HIFRSBDPSA-N 2 0 234.387 2.925 10 0 BFAERP CCC[NH+](CCC)Cc1ccc(C[NH3+])cc1F ZINC000019278508 169149100 /nfs/dbraw/zinc/14/91/00/169149100.db2.gz BYPLZWCLMJGSCX-UHFFFAOYSA-N 2 0 238.350 2.906 10 0 BFAERP CCC[NH+](CCC)C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000053862564 169149188 /nfs/dbraw/zinc/14/91/88/169149188.db2.gz LJJJZRVAEYFBQZ-IHRRRGAJSA-N 2 0 226.408 2.872 10 0 BFAERP CCCN(CC)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913695 169132668 /nfs/dbraw/zinc/13/26/68/169132668.db2.gz IVGAPCGDRYVEQG-RISCZKNCSA-N 2 0 238.350 2.946 10 0 BFAERP CCC[N@H+](CCC[NH3+])Cc1cc(C)ccc1C ZINC000049256645 169155668 /nfs/dbraw/zinc/15/56/68/169155668.db2.gz BCOKRQFFBLUQIN-UHFFFAOYSA-N 2 0 234.387 2.864 10 0 BFAERP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000076453346 169207482 /nfs/dbraw/zinc/20/74/82/169207482.db2.gz ZWYXTXUOOXQSAM-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H]1C ZINC000052375692 169267976 /nfs/dbraw/zinc/26/79/76/169267976.db2.gz CXJYEYNZGFLFNR-GFCCVEGCSA-N 2 0 236.359 2.764 10 0 BFAERP CCC[C@@H](C)C[NH+]1CCC(C[NH2+]C2CC2)CC1 ZINC000053660337 169358153 /nfs/dbraw/zinc/35/81/53/169358153.db2.gz QKOIBHYTCCNPSQ-CYBMUJFWSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592744 384002666 /nfs/dbraw/zinc/00/26/66/384002666.db2.gz ZJJABKUGECYXQM-GUIRCDHDSA-N 2 0 232.371 2.633 10 0 BFAERP CC(C)CC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309468142 384091132 /nfs/dbraw/zinc/09/11/32/384091132.db2.gz WFEZZWRPGTXCMA-HZSPNIEDSA-N 2 0 226.408 2.728 10 0 BFAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361190 384205586 /nfs/dbraw/zinc/20/55/86/384205586.db2.gz NRANVGGGAFHGAX-MJBXVCDLSA-N 2 0 232.371 2.644 10 0 BFAERP CC(C)c1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000258829023 384940121 /nfs/dbraw/zinc/94/01/21/384940121.db2.gz UZMDOAUCFUPFNY-LBPRGKRZSA-N 2 0 220.360 2.637 10 0 BFAERP CC[C@@H]([NH2+]CCCC[NH+](C)C)C(C)(C)C ZINC000336763441 385297605 /nfs/dbraw/zinc/29/76/05/385297605.db2.gz OXIAKLFIPJSYMS-GFCCVEGCSA-N 2 0 214.397 2.743 10 0 BFAERP C[C@@H]1C[C@H]([NH3+])[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000169616731 385415942 /nfs/dbraw/zinc/41/59/42/385415942.db2.gz UKWBVZXKIFQVBE-BHPKHCPMSA-N 2 0 232.371 2.633 10 0 BFAERP CC1([NH3+])CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000643029209 385524035 /nfs/dbraw/zinc/52/40/35/385524035.db2.gz LWQYENDKRHHALO-UHFFFAOYSA-N 2 0 241.338 2.552 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC000415048761 386534199 /nfs/dbraw/zinc/53/41/99/386534199.db2.gz XHYMVIVJOGASDR-SYQHCUMBSA-N 2 0 238.419 2.918 10 0 BFAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000520394169 386662401 /nfs/dbraw/zinc/66/24/01/386662401.db2.gz PNJHIKNDYISGSL-BARDWOONSA-N 2 0 238.419 2.933 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000575438777 387119682 /nfs/dbraw/zinc/11/96/82/387119682.db2.gz AIVPFHBOVJOUFH-LLVKDONJSA-N 2 0 230.714 2.608 10 0 BFAERP CSc1ccc([C@H]([NH3+])CCCC[NH3+])cc1 ZINC000575438454 387128921 /nfs/dbraw/zinc/12/89/21/387128921.db2.gz KZEWPNDKUUPBSH-GFCCVEGCSA-N 2 0 224.373 2.537 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)cc(Cl)cc1F ZINC000575438430 387128983 /nfs/dbraw/zinc/12/89/83/387128983.db2.gz IWHHFKYSSHNNOI-SNVBAGLBSA-N 2 0 248.704 2.747 10 0 BFAERP [NH3+]CCC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000575440484 387134712 /nfs/dbraw/zinc/13/47/12/387134712.db2.gz YEDSVNQXOBLVNB-VIFPVBQESA-N 2 0 233.142 2.732 10 0 BFAERP C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000120408567 387242530 /nfs/dbraw/zinc/24/25/30/387242530.db2.gz NFXFRXRNQRIEBD-IUODEOHRSA-N 2 0 236.403 2.782 10 0 BFAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000516450395 387510085 /nfs/dbraw/zinc/51/00/85/387510085.db2.gz KQFGGHFRCDDPCV-HIFRSBDPSA-N 2 0 236.403 2.855 10 0 BFAERP CC[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1cccs1 ZINC000396685344 387482638 /nfs/dbraw/zinc/48/26/38/387482638.db2.gz XXERAUXLXDQRHM-SDDRHHMPSA-N 2 0 238.400 2.929 10 0 BFAERP C[C@H]([NH2+]CCCC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000422846874 387735812 /nfs/dbraw/zinc/73/58/12/387735812.db2.gz QNSDRKBWWPCICL-ZFWWWQNUSA-N 2 0 238.419 2.935 10 0 BFAERP CCN1CCC[C@@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000309494287 387808906 /nfs/dbraw/zinc/80/89/06/387808906.db2.gz XZGHLXLCABHRGD-ZIAGYGMSSA-N 2 0 222.376 2.559 10 0 BFAERP CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633204 387858634 /nfs/dbraw/zinc/85/86/34/387858634.db2.gz HRQUHTHZZDSPMN-XHSDSOJGSA-N 2 0 244.382 2.631 10 0 BFAERP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)[C@H]1C[C@H]1C ZINC000322211007 388032164 /nfs/dbraw/zinc/03/21/64/388032164.db2.gz UJTPFBMQFJGJJM-QPSCCSFWSA-N 2 0 238.419 2.741 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084218131 388075322 /nfs/dbraw/zinc/07/53/22/388075322.db2.gz VDGSGEPMAXDCKA-MJBXVCDLSA-N 2 0 226.408 2.918 10 0 BFAERP CC[C@H]([C@@H]1CC1(C)C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000397788136 388498844 /nfs/dbraw/zinc/49/88/44/388498844.db2.gz PSFBSJJCFGACGL-QVHKTLOISA-N 2 0 238.419 2.728 10 0 BFAERP CC(C)(C)[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1 ZINC000053700310 132363106 /nfs/dbraw/zinc/36/31/06/132363106.db2.gz JXRPQFVMHFVBSJ-CQSZACIVSA-N 2 0 247.386 2.829 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000227327593 134378177 /nfs/dbraw/zinc/37/81/77/134378177.db2.gz IUGKDUMMUNYCRN-KGLIPLIRSA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251518439 135070333 /nfs/dbraw/zinc/07/03/33/135070333.db2.gz GCXUWECXSVUOCB-MGPQQGTHSA-N 2 0 236.403 2.639 10 0 BFAERP CC1(C)C[N@H+](CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000258604588 135132900 /nfs/dbraw/zinc/13/29/00/135132900.db2.gz AJIBGRDICBEIIY-ZDUSSCGKSA-N 2 0 224.392 2.626 10 0 BFAERP CC1CCC(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261541254 135181349 /nfs/dbraw/zinc/18/13/49/135181349.db2.gz BALARCRLYAZVPC-RUXDESIVSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1C ZINC000261560315 135201479 /nfs/dbraw/zinc/20/14/79/135201479.db2.gz FGWWQTGMBMYWOQ-HNNXBMFYSA-N 2 0 246.398 2.863 10 0 BFAERP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000052373249 167007182 /nfs/dbraw/zinc/00/71/82/167007182.db2.gz CKTZOVZSTKSEAH-SOUVJXGZSA-N 2 0 240.435 2.989 10 0 BFAERP c1ccc2cc(C[NH2+]C[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000259033134 322881089 /nfs/dbraw/zinc/88/10/89/322881089.db2.gz ZXYYJERSRKXTQF-CQSZACIVSA-N 2 0 240.350 2.539 10 0 BFAERP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000259014816 322881188 /nfs/dbraw/zinc/88/11/88/322881188.db2.gz YCQCKSBARUXKKQ-CYBMUJFWSA-N 2 0 240.350 2.539 10 0 BFAERP CC(C)[NH2+]C1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 ZINC000309718021 167095933 /nfs/dbraw/zinc/09/59/33/167095933.db2.gz ZOSOOVRICXWRLH-GXTWGEPZSA-N 2 0 224.392 2.637 10 0 BFAERP CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071250449 167369048 /nfs/dbraw/zinc/36/90/48/167369048.db2.gz RZLGWTXLJAEZLD-LLVKDONJSA-N 2 0 238.350 2.761 10 0 BFAERP CC(C)c1ccc([C@@H](C[NH3+])CC[NH+](C)C)cc1 ZINC000041264635 167613572 /nfs/dbraw/zinc/61/35/72/167613572.db2.gz JYYQCBBMXCEIAF-OAHLLOKOSA-N 2 0 234.387 2.804 10 0 BFAERP C[C@@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362915 411360899 /nfs/dbraw/zinc/36/08/99/411360899.db2.gz YWASRZWMGFHSGW-STQMWFEESA-N 2 0 226.408 2.743 10 0 BFAERP CC1(C[NH2+]CCC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000104436498 168040683 /nfs/dbraw/zinc/04/06/83/168040683.db2.gz XRAAOASOUNURRS-CQSZACIVSA-N 2 0 238.419 2.936 10 0 BFAERP CC1([NH2+]CC2([NH3+])CCCCC2)CCCCC1 ZINC000045047257 168062935 /nfs/dbraw/zinc/06/29/35/168062935.db2.gz DYOMZPWRWQTMGW-UHFFFAOYSA-N 2 0 224.392 2.960 10 0 BFAERP CC1CCC(C)([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336409292 168150239 /nfs/dbraw/zinc/15/02/39/168150239.db2.gz GCCQYGPXAZYUAA-ROKHWSDSSA-N 2 0 224.392 2.544 10 0 BFAERP CC1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952246 168178719 /nfs/dbraw/zinc/17/87/19/168178719.db2.gz ODJCFRHOYXMJIF-AWEZNQCLSA-N 2 0 224.392 2.641 10 0 BFAERP CC1CC[NH+](C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053860975 168183059 /nfs/dbraw/zinc/18/30/59/168183059.db2.gz ZLYFDOGJDHERQH-KBPBESRZSA-N 2 0 224.392 2.626 10 0 BFAERP CC[NH2+]C(C)(C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061299707 170107417 /nfs/dbraw/zinc/10/74/17/170107417.db2.gz INONEGAKAOLZCQ-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000054628703 170109897 /nfs/dbraw/zinc/10/98/97/170109897.db2.gz WTKKEOJVSZABQZ-YHWZYXNKSA-N 2 0 224.392 2.637 10 0 BFAERP CC[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000053030882 170120058 /nfs/dbraw/zinc/12/00/58/170120058.db2.gz VNZHRFLZNCJGKE-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000053654049 170122985 /nfs/dbraw/zinc/12/29/85/170122985.db2.gz LHQZNSATCWPYDM-MRXNPFEDSA-N 2 0 246.398 2.817 10 0 BFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)CC)c(C)o1 ZINC000052444286 170125225 /nfs/dbraw/zinc/12/52/25/170125225.db2.gz QRYKOTKCCXCCMX-LLVKDONJSA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000045206493 170126128 /nfs/dbraw/zinc/12/61/28/170126128.db2.gz UUMQRSHELXIOMG-UHFFFAOYSA-N 2 0 238.400 2.844 10 0 BFAERP CC[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000045205616 170128196 /nfs/dbraw/zinc/12/81/96/170128196.db2.gz FCCJOXHOHLIPBI-UHFFFAOYSA-N 2 0 232.371 2.782 10 0 BFAERP CC[NH2+]Cc1cccc(C[N@H+](CC)C2CC2)c1 ZINC000052451873 170128584 /nfs/dbraw/zinc/12/85/84/170128584.db2.gz MNSCJGYDXJCSRV-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP CC[NH2+]Cc1cccc(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000052484354 170128627 /nfs/dbraw/zinc/12/86/27/170128627.db2.gz VRVKSHIGBSZPHE-ZDUSSCGKSA-N 2 0 232.371 2.638 10 0 BFAERP CC[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000045205613 170128660 /nfs/dbraw/zinc/12/86/60/170128660.db2.gz XWPXTEGTTDONHX-UHFFFAOYSA-N 2 0 232.371 2.782 10 0 BFAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@H]1C ZINC000052378644 170128918 /nfs/dbraw/zinc/12/89/18/170128918.db2.gz CPXVXQWBVJZITC-GFCCVEGCSA-N 2 0 236.359 2.764 10 0 BFAERP CC[NH2+]Cc1oc(C[N@@H+]2CCC[C@@H]2C)cc1C ZINC000052376208 170131816 /nfs/dbraw/zinc/13/18/16/170131816.db2.gz HITDQNQNFMCLAH-LBPRGKRZSA-N 2 0 236.359 2.682 10 0 BFAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000053861962 170152291 /nfs/dbraw/zinc/15/22/91/170152291.db2.gz FGPLVNFIIRPPHQ-UONOGXRCSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000060743293 170165623 /nfs/dbraw/zinc/16/56/23/170165623.db2.gz ARWVMIXJKNEVSG-KGLIPLIRSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860438 170167252 /nfs/dbraw/zinc/16/72/52/170167252.db2.gz XUIBGGRSSRYAHN-XGUBFFRZSA-N 2 0 238.419 2.743 10 0 BFAERP CC[C@@H]1CC[N@H+](CCC(C)C)C[C@H](C)C[NH2+]1 ZINC000049663258 171008478 /nfs/dbraw/zinc/00/84/78/171008478.db2.gz QHJZEQYIWXTZTP-ZIAGYGMSSA-N 2 0 226.408 2.743 10 0 BFAERP CC[C@@]1(C[N@H+](C)Cc2ccccc2C)CC[NH2+]C1 ZINC000062911524 171211320 /nfs/dbraw/zinc/21/13/20/171211320.db2.gz PEMKXSWMKURQRP-MRXNPFEDSA-N 2 0 246.398 2.817 10 0 BFAERP CC(C)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293073 412082112 /nfs/dbraw/zinc/08/21/12/412082112.db2.gz JNPZQGLGRUXSJT-HIFRSBDPSA-N 2 0 238.419 2.743 10 0 BFAERP CC(C)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293072 412082294 /nfs/dbraw/zinc/08/22/94/412082294.db2.gz JNPZQGLGRUXSJT-DZGCQCFKSA-N 2 0 238.419 2.743 10 0 BFAERP C[N@H+](CC1CCC([NH3+])CC1)C1CCCCC1 ZINC000037482392 172654034 /nfs/dbraw/zinc/65/40/34/172654034.db2.gz YPNPTRJAYTWFHX-UHFFFAOYSA-N 2 0 224.392 2.768 10 0 BFAERP C[NH2+]C1CC[NH+](C2CCCCCCC2)CC1 ZINC000037240718 173323238 /nfs/dbraw/zinc/32/32/38/173323238.db2.gz LXDIFWPGBBNZHT-UHFFFAOYSA-N 2 0 224.392 2.783 10 0 BFAERP C[NH2+]C1CC[NH+]([C@@H](C)C2CCCCC2)CC1 ZINC000052340262 173323768 /nfs/dbraw/zinc/32/37/68/173323768.db2.gz NBXZNNMNEDLYRT-LBPRGKRZSA-N 2 0 224.392 2.639 10 0 BFAERP C[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000052541438 173350794 /nfs/dbraw/zinc/35/07/94/173350794.db2.gz UYJKJHWIOXYNBB-LBPRGKRZSA-N 2 0 238.350 2.646 10 0 BFAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(C)c(C)c2)C1 ZINC000071142319 173382276 /nfs/dbraw/zinc/38/22/76/173382276.db2.gz VHGSTFZMNMBZHA-HUUCEWRRSA-N 2 0 246.398 2.906 10 0 BFAERP C[NH2+]Cc1cc(C[N@H+](C)CC(C)(C)C)c(C)o1 ZINC000052570198 173387045 /nfs/dbraw/zinc/38/70/45/173387045.db2.gz QIIGGDTUKRIGAK-UHFFFAOYSA-N 2 0 238.375 2.785 10 0 BFAERP C[NH2+]Cc1oc(C[N@H+](C)CCC(C)C)cc1C ZINC000052545993 173399437 /nfs/dbraw/zinc/39/94/37/173399437.db2.gz FQMHRNJFMRQNLA-UHFFFAOYSA-N 2 0 238.375 2.785 10 0 BFAERP COc1ccc([C@@H](C)[NH3+])cc1C[N@@H+]1CCC[C@@H]1C ZINC000037910702 175176391 /nfs/dbraw/zinc/17/63/91/175176391.db2.gz BGXYCGMTHLSBGY-NWDGAFQWSA-N 2 0 248.370 2.699 10 0 BFAERP COc1ccc([C@H]([NH3+])CC[NH+]2CCCCC2)cc1 ZINC000040542555 175191664 /nfs/dbraw/zinc/19/16/64/175191664.db2.gz ZQKQMDNUZMVIFL-OAHLLOKOSA-N 2 0 248.370 2.571 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1CCCN1CCCCC1=[NH2+] ZINC000049583941 176071790 /nfs/dbraw/zinc/07/17/90/176071790.db2.gz ASZSAPJNFJOKJC-CYBMUJFWSA-N 2 0 237.391 2.714 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055015008 176074914 /nfs/dbraw/zinc/07/49/14/176074914.db2.gz MLPTVOIZOMULKB-HIFRSBDPSA-N 2 0 232.371 2.951 10 0 BFAERP C[C@@H]1CCC[N@H+](CC(C)(C)C[NH2+]C2CC2)[C@@H]1C ZINC000051249266 176096816 /nfs/dbraw/zinc/09/68/16/176096816.db2.gz WEXXZBMUUIEPBA-CHWSQXEVSA-N 2 0 238.419 2.885 10 0 BFAERP C[C@@H]1CCC[C@@H](C)[NH+]1CC1CCC([NH3+])CC1 ZINC000037482406 176115866 /nfs/dbraw/zinc/11/58/66/176115866.db2.gz LSPVACRSSCXIHB-IWMBGFJWSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1CC[N@H+](Cc2ccc(C(N)=[NH2+])cc2)[C@H](C)C1 ZINC000051732459 176173623 /nfs/dbraw/zinc/17/36/23/176173623.db2.gz QFRSTFQNKUHOPP-VXGBXAGGSA-N 2 0 245.370 2.591 10 0 BFAERP C[C@@H]1C[NH2+]CCC[N@@H+](C2CCCCCC2)C1 ZINC000049665844 176324626 /nfs/dbraw/zinc/32/46/26/176324626.db2.gz SUGZZASWVNWRRE-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1C[C@@H](C)C[NH+](CC(C)(C)C[NH2+]C2CC2)C1 ZINC000051206929 176360780 /nfs/dbraw/zinc/36/07/80/176360780.db2.gz QPWCQXGAIUHYMJ-CHWSQXEVSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H](c1cccs1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000049717061 177049215 /nfs/dbraw/zinc/04/92/15/177049215.db2.gz JBDXOVDMCLTSJR-NEPJUHHUSA-N 2 0 238.400 2.883 10 0 BFAERP C[C@H]1CCCC[C@H]1[N@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841869 177087397 /nfs/dbraw/zinc/08/73/97/177087397.db2.gz LMTCDEUWEIIYOI-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccoc1C[NH3+] ZINC000052546712 177087570 /nfs/dbraw/zinc/08/75/70/177087570.db2.gz WRFAKEFUDJJVAN-WCQYABFASA-N 2 0 236.359 2.749 10 0 BFAERP C[C@H]1CCC[N@@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052375699 177110637 /nfs/dbraw/zinc/11/06/37/177110637.db2.gz XVHGMZVICMDNFC-NSHDSACASA-N 2 0 234.343 2.516 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1CC1CCC([NH3+])CC1 ZINC000037482404 177116432 /nfs/dbraw/zinc/11/64/32/177116432.db2.gz LSPVACRSSCXIHB-VTXSZYRJSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000019507192 177116661 /nfs/dbraw/zinc/11/66/61/177116661.db2.gz KJJKYOZUOFXPDS-TXEJJXNPSA-N 2 0 245.370 2.734 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1C[NH3+] ZINC000022168746 177117302 /nfs/dbraw/zinc/11/73/02/177117302.db2.gz YKLGOIXNKXXNKX-BETUJISGSA-N 2 0 232.371 2.908 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058081503 177131890 /nfs/dbraw/zinc/13/18/90/177131890.db2.gz YHOBHJWFYLLUOD-XUXIUFHCSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](C2CCCCC2)C1 ZINC000049665028 177157131 /nfs/dbraw/zinc/15/71/31/177157131.db2.gz NFRAWPKZJZEPQS-OLZOCXBDSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H](c1ccccc1)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049664310 177285792 /nfs/dbraw/zinc/28/57/92/177285792.db2.gz DSZMQSMVWBQXQJ-ZNMIVQPWSA-N 2 0 246.398 2.925 10 0 BFAERP C[C@@H]1CCCC[C@@H]1[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665308 177285803 /nfs/dbraw/zinc/28/58/03/177285803.db2.gz PDMQRKNUFNVTAE-BARDWOONSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400415095 226343138 /nfs/dbraw/zinc/34/31/38/226343138.db2.gz UYMPGVHCSRBVAQ-NEPJUHHUSA-N 2 0 226.408 2.646 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400516423 226345706 /nfs/dbraw/zinc/34/57/06/226345706.db2.gz NCQYHWXSSPHPPL-OCCSQVGLSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H]([NH2+]CC1(C)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400549045 226346039 /nfs/dbraw/zinc/34/60/39/226346039.db2.gz WWSWFWJGSTYERU-STQMWFEESA-N 2 0 224.392 2.544 10 0 BFAERP C(C[NH2+]C[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000398342423 262732349 /nfs/dbraw/zinc/73/23/49/262732349.db2.gz HIHMJPARMBFCNR-AWEZNQCLSA-N 2 0 224.392 2.546 10 0 BFAERP CC[C@@H]1C[N@H+](CC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000251658926 487782808 /nfs/dbraw/zinc/78/28/08/487782808.db2.gz GXYDKNPIFZMQMD-NEXFUWMNSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H]([NH2+][C@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC000567639943 323034393 /nfs/dbraw/zinc/03/43/93/323034393.db2.gz JUSLYCOYLNKHQN-RYKAKRHSSA-N 2 0 236.403 2.543 10 0 BFAERP CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000570077145 323049408 /nfs/dbraw/zinc/04/94/08/323049408.db2.gz FBMXLLKMNWPSAA-STQMWFEESA-N 2 0 224.392 2.544 10 0 BFAERP C[C@@H]([NH2+]CC1(C2CC2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000571038372 323104349 /nfs/dbraw/zinc/10/43/49/323104349.db2.gz QEZBYLSMOGIXMX-CHWSQXEVSA-N 2 0 236.403 2.544 10 0 BFAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757132809 582508462 /nfs/dbraw/zinc/50/84/62/582508462.db2.gz RWCBVGMURFHJIT-BFHYXJOUSA-N 2 0 224.392 2.637 10 0 BFAERP C[C@@H]1C[C@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000238855982 525418879 /nfs/dbraw/zinc/41/88/79/525418879.db2.gz UKWBVZXKIFQVBE-OSFYFWSMSA-N 2 0 232.371 2.633 10 0 BFAERP [NH3+]C[C@@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000301055131 527212626 /nfs/dbraw/zinc/21/26/26/527212626.db2.gz WDEPYOVOHZGLFB-SGNXQUTQSA-N 2 0 244.382 2.761 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393004 527706372 /nfs/dbraw/zinc/70/63/72/527706372.db2.gz NTDHOAGFNRXFGE-BFHYXJOUSA-N 2 0 226.408 2.789 10 0 BFAERP CCC1CCC(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400335534 527833307 /nfs/dbraw/zinc/83/33/07/527833307.db2.gz HFMRQPXSKQHOOR-PPWQZUPISA-N 2 0 238.419 2.790 10 0 BFAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400755174 528101480 /nfs/dbraw/zinc/10/14/80/528101480.db2.gz WUDKVSRQFSKISY-CZUORRHYSA-N 2 0 246.398 2.898 10 0 BFAERP CCC(CC)(CC)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400502529 528632227 /nfs/dbraw/zinc/63/22/27/528632227.db2.gz CLONUICNMHLIKA-OLZOCXBDSA-N 2 0 226.408 2.790 10 0 BFAERP CCCC[C@H](CC)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400398485 528912916 /nfs/dbraw/zinc/91/29/16/528912916.db2.gz PDHOQORGOGUVRL-MELADBBJSA-N 2 0 226.408 2.790 10 0 BFAERP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400548473 529315964 /nfs/dbraw/zinc/31/59/64/529315964.db2.gz WQRYLGCHRAOHQX-DGAVXFQQSA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000164423257 536094661 /nfs/dbraw/zinc/09/46/61/536094661.db2.gz RDDJMNYHPYIXGR-UONOGXRCSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127984 582503489 /nfs/dbraw/zinc/50/34/89/582503489.db2.gz ILBDTSFFOUFXBO-UMVBOHGHSA-N 2 0 236.403 2.782 10 0 BFAERP C[C@@H]1[NH2+]CCC[C@]12CCC[N@@H+]2CCC1CCC1 ZINC000757129416 582503695 /nfs/dbraw/zinc/50/36/95/582503695.db2.gz LGKZCQLUWQUAMC-ZFWWWQNUSA-N 2 0 236.403 2.783 10 0 BFAERP CCC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188408002 582673969 /nfs/dbraw/zinc/67/39/69/582673969.db2.gz FQUARMCFRXDLAE-UONOGXRCSA-N 2 0 235.375 2.784 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135274 586427225 /nfs/dbraw/zinc/42/72/25/586427225.db2.gz ZGVKGVINJVNHKC-JSGCOSHPSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]1N[C@@H](c2ccc(C3(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000757206372 586437229 /nfs/dbraw/zinc/43/72/29/586437229.db2.gz AASDIAJHRSNSPP-NILFDRSVSA-N 2 0 244.382 2.878 10 0 BFAERP CC[C@]1([NH3+])CC=C(c2cccc(C[NH3+])c2)CC1 ZINC000757571678 586462746 /nfs/dbraw/zinc/46/27/46/586462746.db2.gz MASHKYATHJGZOH-HNNXBMFYSA-N 2 0 230.355 2.820 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000400489069 631265872 /nfs/dbraw/zinc/26/58/72/631265872.db2.gz YQODAKSNEBIBIY-YUELXQCFSA-N 2 0 238.419 2.933 10 0 BFAERP CC/C=C(/C)C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000096767704 633010287 /nfs/dbraw/zinc/01/02/87/633010287.db2.gz LEECOMZQUIUTMD-CPSFFCFKSA-N 2 0 236.403 2.808 10 0 BFAERP C[C@H](C[NH2+]CCc1ccccc1)C[NH+]1CCCC1 ZINC000057994205 640658731 /nfs/dbraw/zinc/65/87/31/640658731.db2.gz HLEYVOJOAUTKDI-OAHLLOKOSA-N 2 0 246.398 2.551 10 0 BFAERP C[C@H](CN1CCC[C@@H]2C[NH2+]CC[C@H]21)C(C)(C)C ZINC000715025898 712504005 /nfs/dbraw/zinc/50/40/05/712504005.db2.gz YNEPKCHQUZMAOK-MGPQQGTHSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709178904 712203436 /nfs/dbraw/zinc/20/34/36/712203436.db2.gz RKJPNLLNGRJTLA-XQQFMLRXSA-N 2 0 226.408 2.585 10 0 BFAERP C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000712359531 712402939 /nfs/dbraw/zinc/40/29/39/712402939.db2.gz HJKNNVGYAYXKEM-SBJFKYEJSA-N 2 0 236.403 2.543 10 0 BFAERP Cc1c[nH+]ccc1N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487096 712492154 /nfs/dbraw/zinc/49/21/54/712492154.db2.gz RKTOIONKJQVZAL-UHFFFAOYSA-N 2 0 247.386 2.591 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000714750287 712497394 /nfs/dbraw/zinc/49/73/94/712497394.db2.gz POEOPTZXSDCWQP-LBPRGKRZSA-N 2 0 212.381 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccc(O)c2)CC1 ZINC000714758301 712497709 /nfs/dbraw/zinc/49/77/09/712497709.db2.gz MMLUOBSFJVMNRJ-LBPRGKRZSA-N 2 0 248.370 2.657 10 0 BFAERP CCC1([NH3+])CC[NH+](C2CCCCC2)CC1 ZINC000714754207 712497754 /nfs/dbraw/zinc/49/77/54/712497754.db2.gz PDCUXTXKTGSHFB-UHFFFAOYSA-N 2 0 210.365 2.522 10 0 BFAERP CCC[C@@H](CC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754262 712498020 /nfs/dbraw/zinc/49/80/20/712498020.db2.gz QTQJAGPNKYDFHF-GFCCVEGCSA-N 2 0 212.381 2.768 10 0 BFAERP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000715492579 712523400 /nfs/dbraw/zinc/52/34/00/712523400.db2.gz VPPGVEKUIMMIPA-CVEARBPZSA-N 2 0 246.398 2.692 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC[C@H]2C ZINC000685954534 538899483 /nfs/dbraw/zinc/89/94/83/538899483.db2.gz NTFYYIIXNDEPSB-RFQIPJPRSA-N 2 0 224.392 2.624 10 0 BFAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCCCCC2 ZINC000685955182 538900382 /nfs/dbraw/zinc/90/03/82/538900382.db2.gz VRGIURFVHJTQHP-LBPRGKRZSA-N 2 0 210.365 2.521 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCCCCC2 ZINC000685955387 538901386 /nfs/dbraw/zinc/90/13/86/538901386.db2.gz YVXXEPGZHDLYKE-GFCCVEGCSA-N 2 0 210.365 2.522 10 0 BFAERP Cc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000302586133 178182997 /nfs/dbraw/zinc/18/29/97/178182997.db2.gz UVHYAOPFVHHGQS-BXUZGUMPSA-N 2 0 233.359 2.531 10 0 BFAERP Cc1cc([C@@H](C)[NH+]2CCC([NH3+])CC2)c(C)s1 ZINC000049508914 178221360 /nfs/dbraw/zinc/22/13/60/178221360.db2.gz WNDWZOQHVCSIDI-SNVBAGLBSA-N 2 0 238.400 2.849 10 0 BFAERP CCC(CC)C[C@@H](C[NH3+])[C@H]1CCCC[NH2+]1 ZINC000068591039 168367269 /nfs/dbraw/zinc/36/72/69/168367269.db2.gz ZTIWCHDIIPTXKU-QWHCGFSZSA-N 2 0 212.381 2.530 10 0 BFAERP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCC[NH+]1CCCCC1 ZINC000035015355 342699292 /nfs/dbraw/zinc/69/92/92/342699292.db2.gz HDVMVIPSKDPXFA-OWCLPIDISA-N 2 0 248.414 2.664 10 0 BFAERP CCN1C[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000381706649 539006015 /nfs/dbraw/zinc/00/60/15/539006015.db2.gz JKBMNBWFKUGYMY-IHRRRGAJSA-N 2 0 226.408 2.598 10 0 BFAERP CCN1C[C@H]([NH2+]C[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000381703577 539006136 /nfs/dbraw/zinc/00/61/36/539006136.db2.gz IUHCLTKEOLKVHS-AVGNSLFASA-N 2 0 226.408 2.598 10 0 BFAERP CCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000584047298 343306364 /nfs/dbraw/zinc/30/63/64/343306364.db2.gz GZVZSTUFPSXRHY-UONOGXRCSA-N 2 0 238.419 2.935 10 0 BFAERP CC[C@H](C1CCCC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000387616672 346948643 /nfs/dbraw/zinc/94/86/43/346948643.db2.gz PGNIYZDVTFFIGX-BPLDGKMQSA-N 2 0 238.419 2.872 10 0 BFAERP CCC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000062850580 168467677 /nfs/dbraw/zinc/46/76/77/168467677.db2.gz IBXCNGDNHSDGBJ-OKILXGFUSA-N 2 0 238.419 2.744 10 0 BFAERP Cc1ccc([C@@H](C)[NH+]2CCC[NH2+]CCC2)cc1 ZINC000049667694 178834568 /nfs/dbraw/zinc/83/45/68/178834568.db2.gz QWSHOZALEPYSTJ-CQSZACIVSA-N 2 0 232.371 2.741 10 0 BFAERP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C(C)(C)C ZINC000336770241 187316504 /nfs/dbraw/zinc/31/65/04/187316504.db2.gz VLHPIZVLMXEMFG-NEPJUHHUSA-N 2 0 214.397 2.598 10 0 BFAERP Cc1cccc(C[N@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049666841 179080961 /nfs/dbraw/zinc/08/09/61/179080961.db2.gz SDLGIUUZUKNGPW-GASCZTMLSA-N 2 0 246.398 2.672 10 0 BFAERP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427379 179081288 /nfs/dbraw/zinc/08/12/88/179081288.db2.gz FIOZEQNAYRCAIX-DZGCQCFKSA-N 2 0 232.371 2.554 10 0 BFAERP Cc1ccccc1C[N@@H+](CCC(N)=[NH2+])C(C)C ZINC000042529720 179271222 /nfs/dbraw/zinc/27/12/22/179271222.db2.gz PTSUBMYZZQDONZ-UHFFFAOYSA-N 2 0 233.359 2.531 10 0 BFAERP Cc1ccccc1C[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666751 179275450 /nfs/dbraw/zinc/27/54/50/179275450.db2.gz AAVJGIVBNYAAKF-GASCZTMLSA-N 2 0 246.398 2.957 10 0 BFAERP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CCC1CCCCCC1 ZINC000394652150 349037568 /nfs/dbraw/zinc/03/75/68/349037568.db2.gz ZMVVTQULGRIXQA-GXTWGEPZSA-N 2 0 224.392 2.768 10 0 BFAERP CC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219630975 350134515 /nfs/dbraw/zinc/13/45/15/350134515.db2.gz HEJXHUKSKYTQRB-GOEBONIOSA-N 2 0 246.398 2.897 10 0 BFAERP [NH3+]CCc1ccc(C2CCC3(C[C@H]3[NH3+])CC2)cc1 ZINC000725265138 538093254 /nfs/dbraw/zinc/09/32/54/538093254.db2.gz JCYZUAMTLMUYSY-HWOWSKLDSA-N 2 0 244.382 2.563 10 0 BFAERP C[C@H](C[NH2+]C1CC1)C[N@H+](C)Cc1ccccc1 ZINC000052417422 350992057 /nfs/dbraw/zinc/99/20/57/350992057.db2.gz MYMISAURLNHQPL-CYBMUJFWSA-N 2 0 232.371 2.507 10 0 BFAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000307158313 351509392 /nfs/dbraw/zinc/50/93/92/351509392.db2.gz APCZMORMBBMDBL-OWCLPIDISA-N 2 0 244.382 2.507 10 0 BFAERP C[C@@H](CCC[NH3+])[N@H+](Cc1ccccc1)C1CC1 ZINC000307392214 352568964 /nfs/dbraw/zinc/56/89/64/352568964.db2.gz YCZIZUOKMAMYMF-ZDUSSCGKSA-N 2 0 232.371 2.778 10 0 BFAERP C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000052377115 187954318 /nfs/dbraw/zinc/95/43/18/187954318.db2.gz UONVANFDNPQRGW-UHFFFAOYSA-N 2 0 232.371 2.638 10 0 BFAERP CC(C)C[C@H](C)[N@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000042584041 188294101 /nfs/dbraw/zinc/29/41/01/188294101.db2.gz CDJNIHSXHNJPQG-LBPRGKRZSA-N 2 0 247.386 2.837 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000049710742 188298973 /nfs/dbraw/zinc/29/89/73/188298973.db2.gz URPUGKVVLVXPLK-GXTWGEPZSA-N 2 0 224.392 2.639 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073654169 188368257 /nfs/dbraw/zinc/36/82/57/188368257.db2.gz SPNCBOUPTILNOT-HUUCEWRRSA-N 2 0 238.419 2.983 10 0 BFAERP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415016180 191651110 /nfs/dbraw/zinc/65/11/10/191651110.db2.gz BSUNHPDBZAVRKQ-UPJWGTAASA-N 2 0 226.408 2.918 10 0 BFAERP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415016179 191651900 /nfs/dbraw/zinc/65/19/00/191651900.db2.gz BSUNHPDBZAVRKQ-JHJVBQTASA-N 2 0 226.408 2.918 10 0 BFAERP CCCCC[n+]1ccc(-c2cc[n+](C)cc2)cc1 ZINC000005513511 168747754 /nfs/dbraw/zinc/74/77/54/168747754.db2.gz JQRWJELGSSKLOY-UHFFFAOYSA-N 2 0 242.366 2.656 10 0 BFAERP CC(C)C[NH2+]CCC1CC[NH+](CC(C)C)CC1 ZINC000584636914 358321700 /nfs/dbraw/zinc/32/17/00/358321700.db2.gz ILDIJKPEMSOMTC-UHFFFAOYSA-N 2 0 240.435 2.990 10 0 BFAERP Cc1cc(N[C@@H](C)CC[NH3+])c2ccccc2[nH+]1 ZINC000134274655 358785620 /nfs/dbraw/zinc/78/56/20/358785620.db2.gz QFZKGPCKZBRQAS-JTQLQIEISA-N 2 0 229.327 2.692 10 0 BFAERP C1CC1[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414837111 200767518 /nfs/dbraw/zinc/76/75/18/200767518.db2.gz VOKWOYWEPHJZBL-FVPDABNVSA-N 2 0 248.414 2.828 10 0 BFAERP [NH3+]C1CCC(C[N@H+](Cc2ccco2)C2CC2)CC1 ZINC000042693336 181341770 /nfs/dbraw/zinc/34/17/70/181341770.db2.gz KYPZSPXZCZAORP-UHFFFAOYSA-N 2 0 248.370 2.762 10 0 BFAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000335664521 181341794 /nfs/dbraw/zinc/34/17/94/181341794.db2.gz UAFJZJBPQFYKCT-UNXYVOJBSA-N 2 0 246.345 2.671 10 0 BFAERP Cc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)o1 ZINC000379764542 363890981 /nfs/dbraw/zinc/89/09/81/363890981.db2.gz GXLNAUVFCCNRSU-SCDSUCTJSA-N 2 0 236.359 2.566 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000252602086 363986450 /nfs/dbraw/zinc/98/64/50/363986450.db2.gz MVNXWIAOOBRPPZ-GZBFAFLISA-N 2 0 232.371 2.505 10 0 BFAERP NCC1([NH+]2CCCCC2)CCCCCCC1 ZINC000019807841 181360114 /nfs/dbraw/zinc/36/01/14/181360114.db2.gz DMXZDCFCQGYJCM-UHFFFAOYSA-N 2 0 224.392 2.914 10 0 BFAERP Cl/C=C/CN1CCC([NH2+]C2CCCC2)CC1 ZINC000135217414 364431647 /nfs/dbraw/zinc/43/16/47/364431647.db2.gz BQEZZFPEKMINMB-FPYGCLRLSA-N 2 0 242.794 2.736 10 0 BFAERP [NH3+]CCCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000049580714 181375526 /nfs/dbraw/zinc/37/55/26/181375526.db2.gz QODGFLXFKZRKBT-HNNXBMFYSA-N 2 0 232.371 2.953 10 0 BFAERP CC[C@@H]([NH2+][C@H]1CCN(CC)C1)C1CCCC1 ZINC000382808284 367558886 /nfs/dbraw/zinc/55/88/86/367558886.db2.gz HHKMVFJGXVNBFD-UONOGXRCSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@H]([NH2+][C@H]1CCN(CC)C1)C1CCCC1 ZINC000382808281 367559209 /nfs/dbraw/zinc/55/92/09/367559209.db2.gz HHKMVFJGXVNBFD-KBPBESRZSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]([NH3+])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000044463430 368331649 /nfs/dbraw/zinc/33/16/49/368331649.db2.gz KIDGOYXIWWPEFL-CYBMUJFWSA-N 2 0 232.371 2.636 10 0 BFAERP C[C@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000631837200 369090204 /nfs/dbraw/zinc/09/02/04/369090204.db2.gz OMWZVWARNDIPFI-WFASDCNBSA-N 2 0 244.382 2.591 10 0 BFAERP CC(C)(C)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000313299086 370578014 /nfs/dbraw/zinc/57/80/14/370578014.db2.gz NDTGVWNEBWMKAB-LBPRGKRZSA-N 2 0 212.381 2.544 10 0 BFAERP C[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]CC1(C)C ZINC000306566375 372037031 /nfs/dbraw/zinc/03/70/31/372037031.db2.gz ZLRSLXGSAZTYMF-AWEZNQCLSA-N 2 0 232.371 2.507 10 0 BFAERP CCC[NH+](CCC)Cc1ccc(F)cc1C[NH3+] ZINC000071249823 169148986 /nfs/dbraw/zinc/14/89/86/169148986.db2.gz XRCYPRIRHYTWJD-UHFFFAOYSA-N 2 0 238.350 2.906 10 0 BFAERP CCC[NH+](CCC)CCC[C@H]1CCC[NH2+]1 ZINC000052764288 169147637 /nfs/dbraw/zinc/14/76/37/169147637.db2.gz OTRMFESLPJJXFM-CYBMUJFWSA-N 2 0 212.381 2.641 10 0 BFAERP CCC[NH+](CCC)CC[C@@H]([NH3+])C(C)(C)C ZINC000054027123 169147761 /nfs/dbraw/zinc/14/77/61/169147761.db2.gz IULHEALVYRKWPM-GFCCVEGCSA-N 2 0 214.397 2.872 10 0 BFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)C2CC2)CC1 ZINC000035732762 169191107 /nfs/dbraw/zinc/19/11/07/169191107.db2.gz VCROAMVATBMFRS-OLZOCXBDSA-N 2 0 238.419 2.885 10 0 BFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C2CC2)C1 ZINC000035732771 169198118 /nfs/dbraw/zinc/19/81/18/169198118.db2.gz XLUWSAUPXIBCAU-GUTXKFCHSA-N 2 0 238.419 2.885 10 0 BFAERP CCC[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC000053659469 169257576 /nfs/dbraw/zinc/25/75/76/169257576.db2.gz SNUJURKEFGDNED-UHFFFAOYSA-N 2 0 238.419 2.888 10 0 BFAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H]1C ZINC000052375690 169267475 /nfs/dbraw/zinc/26/74/75/169267475.db2.gz CXJYEYNZGFLFNR-LBPRGKRZSA-N 2 0 236.359 2.764 10 0 BFAERP CCC[NH2+][C@@H]1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC000049709073 169282396 /nfs/dbraw/zinc/28/23/96/169282396.db2.gz RBFDYLAROWNTTC-CHWSQXEVSA-N 2 0 224.392 2.782 10 0 BFAERP CCC[C@@H](C)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020087869 169358766 /nfs/dbraw/zinc/35/87/66/169358766.db2.gz RXFWMSAQFCYRFP-GFCCVEGCSA-N 2 0 214.397 2.600 10 0 BFAERP C[C@@H](C[C@H](C[NH3+])[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591126 384002814 /nfs/dbraw/zinc/00/28/14/384002814.db2.gz XPOCUETWGWPYKX-IMJJTQAJSA-N 2 0 246.398 2.897 10 0 BFAERP c1ccc(C[N@H+]2CC[C@@H](CC[NH2+]C3CC3)C2)cc1 ZINC000095079212 384355609 /nfs/dbraw/zinc/35/56/09/384355609.db2.gz HRSJXDFKZMONQZ-OAHLLOKOSA-N 2 0 244.382 2.651 10 0 BFAERP CC[C@@H](C)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086730712 384679656 /nfs/dbraw/zinc/67/96/56/384679656.db2.gz QSDZJKYGUBLPHG-IALDZJHCSA-N 2 0 212.381 2.671 10 0 BFAERP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCC([NH3+])CC2)o1 ZINC000051692963 385259826 /nfs/dbraw/zinc/25/98/26/385259826.db2.gz JHODYCOSGAHIPX-NPZBDFSRSA-N 2 0 248.370 2.763 10 0 BFAERP CC(C)=CCNC1CC([NH+]2CCCCC2)C1 ZINC000309612411 385746040 /nfs/dbraw/zinc/74/60/40/385746040.db2.gz MYRZTTCDWIOVJI-UHFFFAOYSA-N 2 0 222.376 2.559 10 0 BFAERP FC1(F)CCC(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000335023541 385984886 /nfs/dbraw/zinc/98/48/86/385984886.db2.gz QYMBRDHQGUPDHO-GFCCVEGCSA-N 2 0 246.345 2.544 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC(C)(C)C1 ZINC000415048758 386534744 /nfs/dbraw/zinc/53/47/44/386534744.db2.gz XHYMVIVJOGASDR-RQJABVFESA-N 2 0 238.419 2.918 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CC(C)(C)C1 ZINC000414790944 386547024 /nfs/dbraw/zinc/54/70/24/386547024.db2.gz AUYAQJDTMNOARF-RFGFWPKPSA-N 2 0 238.419 2.918 10 0 BFAERP C[NH+](C)CCC[NH+]1CCC2(CCCC2)CC1 ZINC000337211449 386655644 /nfs/dbraw/zinc/65/56/44/386655644.db2.gz DLMZAFALTXTBKL-UHFFFAOYSA-N 2 0 224.392 2.594 10 0 BFAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000520394170 386662548 /nfs/dbraw/zinc/66/25/48/386662548.db2.gz PNJHIKNDYISGSL-KBXIAJHMSA-N 2 0 238.419 2.933 10 0 BFAERP c1ccc(C2CC([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000334855551 386907003 /nfs/dbraw/zinc/90/70/03/386907003.db2.gz ILINPVLOAYYJMP-PCKAHOCUSA-N 2 0 244.382 2.664 10 0 BFAERP CC(C)(C)C1CC([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000335003695 387096879 /nfs/dbraw/zinc/09/68/79/387096879.db2.gz CYBZMDNLKMEADE-OTTFEQOBSA-N 2 0 224.392 2.543 10 0 BFAERP Cc1ccc(F)c([C@H]([NH3+])CCC[NH3+])c1Cl ZINC000575438206 387108788 /nfs/dbraw/zinc/10/87/88/387108788.db2.gz DWNKNMGKUDVBMG-SECBINFHSA-N 2 0 230.714 2.526 10 0 BFAERP Cc1cc(C)c([C@@H]([NH3+])CCCC[NH3+])c(C)c1 ZINC000575437866 387111275 /nfs/dbraw/zinc/11/12/75/387111275.db2.gz ATFHITKICYHENT-ZDUSSCGKSA-N 2 0 220.360 2.741 10 0 BFAERP CC(C)CC1([N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000536954953 387168176 /nfs/dbraw/zinc/16/81/76/387168176.db2.gz PEEDJHHBLFHQGU-AWEZNQCLSA-N 2 0 238.419 2.887 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)cccc1Cl ZINC000575440402 387132975 /nfs/dbraw/zinc/13/29/75/387132975.db2.gz SNVHSIDVUYRFHK-JTQLQIEISA-N 2 0 230.714 2.608 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000575440488 387135375 /nfs/dbraw/zinc/13/53/75/387135375.db2.gz YNAQBDPUQPHZQV-NSHDSACASA-N 2 0 230.714 2.608 10 0 BFAERP C[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000120408251 387243417 /nfs/dbraw/zinc/24/34/17/387243417.db2.gz NFXFRXRNQRIEBD-DOMZBBRYSA-N 2 0 236.403 2.782 10 0 BFAERP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1ccccc1 ZINC000575505331 387373395 /nfs/dbraw/zinc/37/33/95/387373395.db2.gz YBTKGPYTRITDJO-ZNMIVQPWSA-N 2 0 244.382 2.553 10 0 BFAERP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422711014 387625025 /nfs/dbraw/zinc/62/50/25/387625025.db2.gz MPFRJYDIMJWYFW-QWHCGFSZSA-N 2 0 232.371 2.562 10 0 BFAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(F)(F)C1 ZINC000423076023 387876941 /nfs/dbraw/zinc/87/69/41/387876941.db2.gz PWSGKOIDUYOHNT-MNOVXSKESA-N 2 0 246.345 2.685 10 0 BFAERP CC(C)C1([NH2+]CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000339509564 388484280 /nfs/dbraw/zinc/48/42/80/388484280.db2.gz SEFRGAYUTFJSQH-ZDUSSCGKSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1CC1(C)C ZINC000397767854 388497169 /nfs/dbraw/zinc/49/71/69/388497169.db2.gz GOAODXZLCKLDIW-XQQFMLRXSA-N 2 0 226.408 2.741 10 0 BFAERP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251444551 135069560 /nfs/dbraw/zinc/06/95/60/135069560.db2.gz WDPMWJIGVIMLKT-RWMBFGLXSA-N 2 0 212.381 2.528 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000251787899 135077666 /nfs/dbraw/zinc/07/76/66/135077666.db2.gz XFZWWWCMOYVRJC-ZNMIVQPWSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261565820 135207761 /nfs/dbraw/zinc/20/77/61/135207761.db2.gz YNXAVCFUGSLAQL-MCIONIFRSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261565818 135208190 /nfs/dbraw/zinc/20/81/90/135208190.db2.gz YNXAVCFUGSLAQL-HZSPNIEDSA-N 2 0 238.419 2.872 10 0 BFAERP CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1C[C@@H]1C ZINC000104409545 167004194 /nfs/dbraw/zinc/00/41/94/167004194.db2.gz OYXIMUSRWWZPIY-KKUMJFAQSA-N 2 0 240.435 2.844 10 0 BFAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](CC1CC1)C(C)C ZINC000052345724 167005998 /nfs/dbraw/zinc/00/59/98/167005998.db2.gz SKNBETLMPXMMTG-AWEZNQCLSA-N 2 0 240.435 2.989 10 0 BFAERP CC(C)[NH2+]C1CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC000309718022 167095032 /nfs/dbraw/zinc/09/50/32/167095032.db2.gz ZOSOOVRICXWRLH-JSGCOSHPSA-N 2 0 224.392 2.637 10 0 BFAERP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H]2C)o1 ZINC000052375743 167119260 /nfs/dbraw/zinc/11/92/60/167119260.db2.gz XGWBZSPQYYDIDJ-GFCCVEGCSA-N 2 0 236.359 2.762 10 0 BFAERP CC1(C)CC[NH+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070503398 167920523 /nfs/dbraw/zinc/92/05/23/167920523.db2.gz BCVZEMYCOSSYSX-OLZOCXBDSA-N 2 0 224.392 2.626 10 0 BFAERP CC1CCC([NH+]2C[C@H](C)C[NH2+]C[C@@H](C)C2)CC1 ZINC000049665450 168159124 /nfs/dbraw/zinc/15/91/24/168159124.db2.gz CVTKLSOOZUKGMU-PIOWNMBXSA-N 2 0 238.419 2.743 10 0 BFAERP CC1CCC([N@H+](C)Cc2cc(C[NH3+])co2)CC1 ZINC000052345415 168160676 /nfs/dbraw/zinc/16/06/76/168160676.db2.gz RVHIDYQQMBXHJC-UHFFFAOYSA-N 2 0 236.359 2.749 10 0 BFAERP Cc1ccc([C@H](C)NCc2cnc3n2CCC3)o1 ZINC000657292316 411453181 /nfs/dbraw/zinc/45/31/81/411453181.db2.gz MCPOWONHSGPUEU-NSHDSACASA-N 2 0 245.326 2.582 10 0 BFAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C1CC1)C1CC1 ZINC000054629707 170109402 /nfs/dbraw/zinc/10/94/02/170109402.db2.gz QYQFOHAUARFHJD-GOOCMWNKSA-N 2 0 248.414 2.780 10 0 BFAERP CC[NH2+]C[C@H](CC)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482220 170121984 /nfs/dbraw/zinc/12/19/84/170121984.db2.gz IQDAHEDMGIWYSN-ZNMIVQPWSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]Cc1cc(C[N@H+](CC)C(C)C)c(C)o1 ZINC000052447043 170125631 /nfs/dbraw/zinc/12/56/31/170125631.db2.gz HJNKOZGZQXRNBI-UHFFFAOYSA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000060743295 170150699 /nfs/dbraw/zinc/15/06/99/170150699.db2.gz ARWVMIXJKNEVSG-UONOGXRCSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1C[NH+](C)C ZINC000053864623 170152590 /nfs/dbraw/zinc/15/25/90/170152590.db2.gz PSYZYOURVHJHFB-MGPQQGTHSA-N 2 0 240.435 2.989 10 0 BFAERP CC[NH2+][C@H]1CC[N@@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709158 170167260 /nfs/dbraw/zinc/16/72/60/170167260.db2.gz KSRQTBOKLHOSTC-RYUDHWBXSA-N 2 0 212.381 2.637 10 0 BFAERP CC[C@@H](CC(F)F)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662266521 412057436 /nfs/dbraw/zinc/05/74/36/412057436.db2.gz ICIXVXLQVCYBIC-NWDGAFQWSA-N 2 0 248.361 2.742 10 0 BFAERP CC[C@@H]1CC[N@H+](CC2CCCC2)C[C@H](C)C[NH2+]1 ZINC000049666007 171009485 /nfs/dbraw/zinc/00/94/85/171009485.db2.gz AUBLUUPSGAJCQF-UKRRQHHQSA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@@H]1CC[N@H+](CCC2CCCC2)CC[NH2+]1 ZINC000049662254 171011111 /nfs/dbraw/zinc/01/11/11/171011111.db2.gz FBFRMQLXJVFIJT-CQSZACIVSA-N 2 0 224.392 2.641 10 0 BFAERP CC[C@@H]1CC[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000049664185 171012981 /nfs/dbraw/zinc/01/29/81/171012981.db2.gz KYEZNRZZPKEJHV-OAHLLOKOSA-N 2 0 232.371 2.651 10 0 BFAERP CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000049666029 171014414 /nfs/dbraw/zinc/01/44/14/171014414.db2.gz XRZQWNVCKQPMGJ-UONOGXRCSA-N 2 0 226.408 2.885 10 0 BFAERP CCn1cc[nH+]c1Nc1ccccc1[C@H](C)[NH3+] ZINC000104314098 172228256 /nfs/dbraw/zinc/22/82/56/172228256.db2.gz JRQBSKBBSDJHNS-JTQLQIEISA-N 2 0 230.315 2.666 10 0 BFAERP C[N@@H+]1CCCC[C@H](C[NH3+])[C@H]1c1ccccc1F ZINC000082335402 173007628 /nfs/dbraw/zinc/00/76/28/173007628.db2.gz QWNBNTTZOQSATG-RISCZKNCSA-N 2 0 236.334 2.557 10 0 BFAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000049633301 173007748 /nfs/dbraw/zinc/00/77/48/173007748.db2.gz TWDPDUJZADGUAX-AWEZNQCLSA-N 2 0 224.392 2.783 10 0 BFAERP CN(C(=[NH2+])C1CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000062987683 173043545 /nfs/dbraw/zinc/04/35/45/173043545.db2.gz NLAWUNUEFJVHKL-ZDUSSCGKSA-N 2 0 237.391 2.570 10 0 BFAERP C[NH2+]CC1(C[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000051208782 173337582 /nfs/dbraw/zinc/33/75/82/173337582.db2.gz HPJLEFFIOZNVSL-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]C[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011167 173380982 /nfs/dbraw/zinc/38/09/82/173380982.db2.gz GERPPESXPQPPEZ-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504329 173391326 /nfs/dbraw/zinc/39/13/26/173391326.db2.gz KOAKSURYJWUHJT-LLVKDONJSA-N 2 0 238.375 2.865 10 0 BFAERP COc1ccc([C@@H](C)[NH3+])cc1C[N@@H+]1CCC[C@H]1C ZINC000037910701 175176414 /nfs/dbraw/zinc/17/64/14/175176414.db2.gz BGXYCGMTHLSBGY-VXGBXAGGSA-N 2 0 248.370 2.699 10 0 BFAERP COc1ccc([C@@H]([NH3+])CC[NH+]2CCCCC2)cc1 ZINC000040542558 175179498 /nfs/dbraw/zinc/17/94/98/175179498.db2.gz ZQKQMDNUZMVIFL-HNNXBMFYSA-N 2 0 248.370 2.571 10 0 BFAERP C[C@@H](c1ccccc1)[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049664313 176022005 /nfs/dbraw/zinc/02/20/05/176022005.db2.gz DSZMQSMVWBQXQJ-KFWWJZLASA-N 2 0 246.398 2.925 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037115948 176071901 /nfs/dbraw/zinc/07/19/01/176071901.db2.gz UKXKRYBHWCXACG-HIFRSBDPSA-N 2 0 232.371 2.951 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000019264377 176072976 /nfs/dbraw/zinc/07/29/76/176072976.db2.gz MVEOLZRCIOUBAP-LLVKDONJSA-N 2 0 236.334 2.659 10 0 BFAERP C[C@@H]1CCC[C@@](C[NH3+])([NH+]2Cc3ccccc3C2)C1 ZINC000050910664 176133510 /nfs/dbraw/zinc/13/35/10/176133510.db2.gz GKJFGKSYIVOKJJ-CZUORRHYSA-N 2 0 244.382 2.910 10 0 BFAERP C[C@@H]1CC[N@H+](CC2CCCCC2)CCC[NH2+]1 ZINC000049666061 176168248 /nfs/dbraw/zinc/16/82/48/176168248.db2.gz BBCGJURSAZMECQ-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1CC[N@H+](CC2(C[NH3+])CCCC2)[C@H](C)C1 ZINC000051748511 176168500 /nfs/dbraw/zinc/16/85/00/176168500.db2.gz FPNFEOQEDISWAF-CHWSQXEVSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1CC[N@H+](CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401773 176169459 /nfs/dbraw/zinc/16/94/59/176169459.db2.gz KMMKTEMWZNUILC-HIFRSBDPSA-N 2 0 232.371 2.808 10 0 BFAERP C[C@H](c1ccccc1)[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062615849 177039117 /nfs/dbraw/zinc/03/91/17/177039117.db2.gz KIEUHGIACHLULJ-CYBMUJFWSA-N 2 0 232.371 2.822 10 0 BFAERP C[C@H]1CC(C)(C)C[C@@](CN)([N@H+](C)CC2CC2)C1 ZINC000037925343 177063676 /nfs/dbraw/zinc/06/36/76/177063676.db2.gz LVRPBWIBNHNQJW-WFASDCNBSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H]1CCC[N@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000019273873 177100001 /nfs/dbraw/zinc/10/00/01/177100001.db2.gz QUKUPNJEHXMGNN-NSHDSACASA-N 2 0 236.334 2.516 10 0 BFAERP C[C@H]1CCC[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055022339 177104151 /nfs/dbraw/zinc/10/41/51/177104151.db2.gz WBVLRGQANXTGQY-JSGCOSHPSA-N 2 0 245.370 2.786 10 0 BFAERP C[C@H]1CC[N@@H+](C2(C)CCCCC2)CCC[NH2+]1 ZINC000045046677 177156843 /nfs/dbraw/zinc/15/68/43/177156843.db2.gz RTEYGXDEADWAGZ-ZDUSSCGKSA-N 2 0 224.392 2.783 10 0 BFAERP C[C@@H]1CC[N@H+](C2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665022 177157510 /nfs/dbraw/zinc/15/75/10/177157510.db2.gz MEBRLIDXNKXWCU-BETUJISGSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000051729991 177163363 /nfs/dbraw/zinc/16/33/63/177163363.db2.gz KFBIMPJNTMHIDI-QWHCGFSZSA-N 2 0 232.371 2.766 10 0 BFAERP C[C@H]1C[NH2+]CCC[N@H+](CCC2CCCCC2)C1 ZINC000049666933 177281913 /nfs/dbraw/zinc/28/19/13/177281913.db2.gz HKWXWNPYUKZITA-AWEZNQCLSA-N 2 0 238.419 2.888 10 0 BFAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCC2CCCC2)C1 ZINC000049666903 177285516 /nfs/dbraw/zinc/28/55/16/177285516.db2.gz DANFFYROHFOVGT-KBPBESRZSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000051206835 177313312 /nfs/dbraw/zinc/31/33/12/177313312.db2.gz DSWOXXXSUXMWKR-OKILXGFUSA-N 2 0 238.419 2.874 10 0 BFAERP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400516421 226345646 /nfs/dbraw/zinc/34/56/46/226345646.db2.gz NCQYHWXSSPHPPL-GXTWGEPZSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400516424 226345736 /nfs/dbraw/zinc/34/57/36/226345736.db2.gz NCQYHWXSSPHPPL-TZMCWYRMSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000571038375 323104338 /nfs/dbraw/zinc/10/43/38/323104338.db2.gz QEZBYLSMOGIXMX-STQMWFEESA-N 2 0 236.403 2.544 10 0 BFAERP CC[C@H](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567647055 326237866 /nfs/dbraw/zinc/23/78/66/326237866.db2.gz OXBRRSFJWIXVPX-IGQOVBAYSA-N 2 0 226.408 2.789 10 0 BFAERP Cc1cscc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572749548 326408508 /nfs/dbraw/zinc/40/85/08/326408508.db2.gz OJAPBWZDZXPJCJ-VXGBXAGGSA-N 2 0 238.400 2.534 10 0 BFAERP C[N@H+](CCC(C)(C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000406069675 487498830 /nfs/dbraw/zinc/49/88/30/487498830.db2.gz QQIKGOBKZSMEOK-AWEZNQCLSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400489568 491073009 /nfs/dbraw/zinc/07/30/09/491073009.db2.gz YSQIBEOGBOPPHC-LXTVHRRPSA-N 2 0 238.419 2.790 10 0 BFAERP CCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757123297 582498104 /nfs/dbraw/zinc/49/81/04/582498104.db2.gz ACXDYQKKBMQOMG-KBPBESRZSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400500205 533811246 /nfs/dbraw/zinc/81/12/46/533811246.db2.gz BVQADTUNIWQRMH-AGIUHOORSA-N 2 0 226.408 2.789 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400415099 533829474 /nfs/dbraw/zinc/82/94/74/533829474.db2.gz UYMPGVHCSRBVAQ-NWDGAFQWSA-N 2 0 226.408 2.646 10 0 BFAERP C[C@H]([NH2+][C@@H](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400477648 533973047 /nfs/dbraw/zinc/97/30/47/533973047.db2.gz DSSRGWCCQFVCQS-OBJOEFQTSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@@H]1C[C@H]([NH3+])[C@@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000238855980 525418402 /nfs/dbraw/zinc/41/84/02/525418402.db2.gz UKWBVZXKIFQVBE-COMQUAJESA-N 2 0 232.371 2.633 10 0 BFAERP C[C@@H]1[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000238856838 525696756 /nfs/dbraw/zinc/69/67/56/525696756.db2.gz XHQDHKBQLIGGBO-RGHULWKBSA-N 2 0 246.398 2.879 10 0 BFAERP C[C@@H]1[C@H]([NH3+])C[C@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000247859921 525703193 /nfs/dbraw/zinc/70/31/93/525703193.db2.gz ZJJABKUGECYXQM-PWNZVWSESA-N 2 0 232.371 2.633 10 0 BFAERP C[C@H]1CCCC[N@@H+]1CC[C@@H]([NH3+])c1ccccc1 ZINC000020071579 526250212 /nfs/dbraw/zinc/25/02/12/526250212.db2.gz UKXKRYBHWCXACG-DZGCQCFKSA-N 2 0 232.371 2.951 10 0 BFAERP CCC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000400533279 527753645 /nfs/dbraw/zinc/75/36/45/527753645.db2.gz SKCYZGCHCCCRQT-CHWSQXEVSA-N 2 0 224.392 2.544 10 0 BFAERP CCCC1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400320241 528079578 /nfs/dbraw/zinc/07/95/78/528079578.db2.gz AWRLVZKWAIHTQR-LQULJDIASA-N 2 0 238.419 2.933 10 0 BFAERP CCC(CC)(CC)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400502525 528632202 /nfs/dbraw/zinc/63/22/02/528632202.db2.gz CLONUICNMHLIKA-CHWSQXEVSA-N 2 0 226.408 2.790 10 0 BFAERP CCc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261591642 535936767 /nfs/dbraw/zinc/93/67/67/535936767.db2.gz XXIDEYNPIHUASX-HNNXBMFYSA-N 2 0 246.398 2.808 10 0 BFAERP C[N@H+](C1CCCCC1)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675052899 566412186 /nfs/dbraw/zinc/41/21/86/566412186.db2.gz BXYTUQCTSFCWET-TZMCWYRMSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126921 582501245 /nfs/dbraw/zinc/50/12/45/582501245.db2.gz HRRSUWBCXJKVMU-UKRRQHHQSA-N 2 0 236.403 2.641 10 0 BFAERP C(C[N@@H+]1CCC[C@@]12CN1CCC2CC1)C1CCC1 ZINC000757126577 582501460 /nfs/dbraw/zinc/50/14/60/582501460.db2.gz GESZKYGTVBSJIS-INIZCTEOSA-N 2 0 248.414 2.737 10 0 BFAERP C[C@@H](C1CCC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127979 582503362 /nfs/dbraw/zinc/50/33/62/582503362.db2.gz ILBDTSFFOUFXBO-IPYPFGDCSA-N 2 0 236.403 2.782 10 0 BFAERP CC1(c2ccc([C@@H]3[NH2+]CCC[C@H]3C[NH3+])cc2)CC1 ZINC000757217809 582561890 /nfs/dbraw/zinc/56/18/90/582561890.db2.gz SNPNOHNYQUHECQ-ZFWWWQNUSA-N 2 0 244.382 2.738 10 0 BFAERP CC1(c2ccc([C@H]3CC[C@@H](CN)[NH2+]C3)cc2)CC1 ZINC000757206766 586437568 /nfs/dbraw/zinc/43/75/68/586437568.db2.gz AMZXPDIZXMPEAZ-ZFWWWQNUSA-N 2 0 244.382 2.532 10 0 BFAERP CC1(c2ccc([C@@H]3C[C@@H](C[NH3+])CC[NH2+]3)cc2)CC1 ZINC000757208441 586437913 /nfs/dbraw/zinc/43/79/13/586437913.db2.gz CRIVSLNVFUGBRX-WFASDCNBSA-N 2 0 244.382 2.738 10 0 BFAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1cscc1C(F)F ZINC000757231565 586443409 /nfs/dbraw/zinc/44/34/09/586443409.db2.gz IAFFSOGVFKVTAL-OIBJUYFYSA-N 2 0 246.326 2.685 10 0 BFAERP C[C@H]1C[NH2+]CC[C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757237178 586443947 /nfs/dbraw/zinc/44/39/47/586443947.db2.gz PMFGZBLFJMHVPU-XHDPSFHLSA-N 2 0 244.382 2.736 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000400489068 631266581 /nfs/dbraw/zinc/26/65/81/631266581.db2.gz YQODAKSNEBIBIY-SNPRPXQTSA-N 2 0 238.419 2.933 10 0 BFAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000084217546 632637705 /nfs/dbraw/zinc/63/77/05/632637705.db2.gz RVXBCNOONLEFSA-TZMCWYRMSA-N 2 0 224.392 2.816 10 0 BFAERP Cc1[nH+]ccc(NCCCCCC[NH3+])c1Cl ZINC000309374286 633902570 /nfs/dbraw/zinc/90/25/70/633902570.db2.gz PZBRTNLVVVXURT-UHFFFAOYSA-N 2 0 241.766 2.974 10 0 BFAERP CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084219041 643550292 /nfs/dbraw/zinc/55/02/92/643550292.db2.gz RDSPOQIQFFAZKA-YNEHKIRRSA-N 2 0 212.381 2.672 10 0 BFAERP C[C@@H]([NH2+]CCCCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000716376583 712557227 /nfs/dbraw/zinc/55/72/27/712557227.db2.gz ABIXZNNBEWAKLK-OCCSQVGLSA-N 2 0 224.392 2.544 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCC23CCCC3)CC1 ZINC000714758319 712497551 /nfs/dbraw/zinc/49/75/51/712497551.db2.gz FDFSUNGZDPOZKT-ZDUSSCGKSA-N 2 0 236.403 2.913 10 0 BFAERP CC[C@@H]1CCC[C@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753664 712497991 /nfs/dbraw/zinc/49/79/91/712497991.db2.gz MYIOMZBFJGBKPS-CHWSQXEVSA-N 2 0 224.392 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H](C2CC2)C2CCC2)CC1 ZINC000714760175 712498645 /nfs/dbraw/zinc/49/86/45/712498645.db2.gz WEJOUAVEVVYOJN-AWEZNQCLSA-N 2 0 236.403 2.768 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(CC)CC2 ZINC000685953993 538898509 /nfs/dbraw/zinc/89/85/09/538898509.db2.gz KEIKQAYBQUKYIC-ROKHWSDSSA-N 2 0 224.392 2.768 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCCCCC2 ZINC000685955180 538900646 /nfs/dbraw/zinc/90/06/46/538900646.db2.gz VRGIURFVHJTQHP-GFCCVEGCSA-N 2 0 210.365 2.521 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)CC[C@@H]2C ZINC000685955293 538900861 /nfs/dbraw/zinc/90/08/61/538900861.db2.gz XJQTYBFEUIBKIB-RQJABVFESA-N 2 0 224.392 2.623 10 0 BFAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685952691 538896606 /nfs/dbraw/zinc/89/66/06/538896606.db2.gz CBXMIICWJNIQHQ-GXTWGEPZSA-N 2 0 224.392 2.767 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685952680 538896855 /nfs/dbraw/zinc/89/68/55/538896855.db2.gz BYJIOXRQMVALQH-RQJABVFESA-N 2 0 224.392 2.624 10 0 BFAERP CCC(CC)(C[NH3+])C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000051206833 168322740 /nfs/dbraw/zinc/32/27/40/168322740.db2.gz FAWIMNZRSQJWES-CHWSQXEVSA-N 2 0 226.408 2.729 10 0 BFAERP CCC(CC)(C[NH2+][C@H]1CCC[NH2+]CC1)SC ZINC000232951472 168326889 /nfs/dbraw/zinc/32/68/89/168326889.db2.gz MXWDALPADOAPNC-LBPRGKRZSA-N 2 0 244.448 2.640 10 0 BFAERP CCC(CC)C[NH2+]CCCC[NH+]1CCCC1 ZINC000062453450 168360534 /nfs/dbraw/zinc/36/05/34/168360534.db2.gz HVEZXKTYECFUNH-UHFFFAOYSA-N 2 0 226.408 2.888 10 0 BFAERP CCN1C[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000381706657 539005947 /nfs/dbraw/zinc/00/59/47/539005947.db2.gz JKBMNBWFKUGYMY-RDBSUJKOSA-N 2 0 226.408 2.598 10 0 BFAERP COc1ccc([C@H](CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000019674061 187252645 /nfs/dbraw/zinc/25/26/45/187252645.db2.gz YBMAQACRKHPGBU-HNNXBMFYSA-N 2 0 248.370 2.571 10 0 BFAERP CC[NH2+]CCC[N@H+](CC)Cc1ccccc1 ZINC000034086108 343264073 /nfs/dbraw/zinc/26/40/73/343264073.db2.gz BAUHSPKDHOJDJB-UHFFFAOYSA-N 2 0 220.360 2.508 10 0 BFAERP CC(C)[C@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000063019957 187273837 /nfs/dbraw/zinc/27/38/37/187273837.db2.gz DTVNYOJUIMLFSA-OAHLLOKOSA-N 2 0 232.371 2.679 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226858495 534957246 /nfs/dbraw/zinc/95/72/46/534957246.db2.gz OIENUARUPLILPL-HOCLYGCPSA-N 2 0 246.398 2.897 10 0 BFAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cccs1 ZINC000257351776 344105432 /nfs/dbraw/zinc/10/54/32/344105432.db2.gz HBBCVNYYJWJBFD-DCAQKATOSA-N 2 0 224.373 2.669 10 0 BFAERP C[C@H](CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000634998188 345197504 /nfs/dbraw/zinc/19/75/04/345197504.db2.gz BZPYPQUNPPUBBJ-IJEWVQPXSA-N 2 0 246.398 2.707 10 0 BFAERP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1C[NH3+] ZINC000634999018 345199653 /nfs/dbraw/zinc/19/96/53/345199653.db2.gz OXEMMGOJBZQOGZ-BLLLJJGKSA-N 2 0 244.382 2.591 10 0 BFAERP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](C[NH3+])C2)[C@@H]1C ZINC000675054273 537894119 /nfs/dbraw/zinc/89/41/19/537894119.db2.gz QZVJSTJUIFHBGM-YIYPIFLZSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)[C@@H]1C ZINC000675054268 537893292 /nfs/dbraw/zinc/89/32/92/537893292.db2.gz QZVJSTJUIFHBGM-AAVRWANBSA-N 2 0 224.392 2.624 10 0 BFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[NH+](C)C ZINC000019958275 259386457 /nfs/dbraw/zinc/38/64/57/259386457.db2.gz YLYXBVPECNBOJJ-ILXRZTDVSA-N 2 0 240.435 2.989 10 0 BFAERP Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2C)cc1Cl ZINC000082328946 537969215 /nfs/dbraw/zinc/96/92/15/537969215.db2.gz NOMFBKJFUXAJSA-YPMHNXCESA-N 2 0 238.762 2.742 10 0 BFAERP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000053881031 179066305 /nfs/dbraw/zinc/06/63/05/179066305.db2.gz DSLPWEXLQZQVAO-GJZGRUSLSA-N 2 0 232.371 2.554 10 0 BFAERP Cc1cccc(C[NH+]2C[C@H](C)C[NH2+]C[C@@H](C)C2)c1 ZINC000049666844 179085110 /nfs/dbraw/zinc/08/51/10/179085110.db2.gz SDLGIUUZUKNGPW-HUUCEWRRSA-N 2 0 246.398 2.672 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2CCCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000310092132 347228552 /nfs/dbraw/zinc/22/85/52/347228552.db2.gz RWRFESBNFKKMBT-VNHYZAJKSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1cccc([C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193598514 179194664 /nfs/dbraw/zinc/19/46/64/179194664.db2.gz ITFATMKLVXPUOW-CWRNSKLLSA-N 2 0 244.382 2.549 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000358390558 179197557 /nfs/dbraw/zinc/19/75/57/179197557.db2.gz DSUYTFAGMHNIMD-IPYPFGDCSA-N 2 0 232.371 2.596 10 0 BFAERP C[C@H]1C[NH2+][C@@H](C)CC[N@H+](Cc2ccccc2)C1 ZINC000219631126 350134748 /nfs/dbraw/zinc/13/47/48/350134748.db2.gz GABDHTSDPPJYAT-KBPBESRZSA-N 2 0 232.371 2.507 10 0 BFAERP Cc1[nH+]ccc(N[C@@H](C)CCC[NH3+])c1Cl ZINC000309001855 180203684 /nfs/dbraw/zinc/20/36/84/180203684.db2.gz LPWWWHGOMMCBPV-QMMMGPOBSA-N 2 0 227.739 2.583 10 0 BFAERP Cc1[nH+]ccc(N[C@@H](C[NH3+])CC(C)C)c1Cl ZINC000309317792 180204011 /nfs/dbraw/zinc/20/40/11/180204011.db2.gz GKXFHRQLPPISAS-SNVBAGLBSA-N 2 0 241.766 2.829 10 0 BFAERP CC[NH+](CC)C1(c2ccccc2)CC[NH2+]CC1 ZINC000725267039 538096749 /nfs/dbraw/zinc/09/67/49/538096749.db2.gz BWGYJITYZJJLEN-UHFFFAOYSA-N 2 0 232.371 2.607 10 0 BFAERP C[NH+](C)[C@@H]1CCCCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304172 351562021 /nfs/dbraw/zinc/56/20/21/351562021.db2.gz QXYNAXVCGREYHQ-MELADBBJSA-N 2 0 224.392 2.639 10 0 BFAERP C1CCC([NH+]2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000082548589 187622293 /nfs/dbraw/zinc/62/22/93/187622293.db2.gz ZBBITLUMEBTOAH-UHFFFAOYSA-N 2 0 236.403 2.785 10 0 BFAERP CCCCC[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000037171736 168685692 /nfs/dbraw/zinc/68/56/92/168685692.db2.gz LAUQSRVQPYUZDZ-UHFFFAOYSA-N 2 0 233.359 2.593 10 0 BFAERP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000629531190 538107693 /nfs/dbraw/zinc/10/76/93/538107693.db2.gz CZJXSXUAHDILBA-GHMZBOCLSA-N 2 0 248.361 2.646 10 0 BFAERP CC(C)C[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019025 188289995 /nfs/dbraw/zinc/28/99/95/188289995.db2.gz VTJMULBZESFZKR-FFHGMXDLSA-N 2 0 238.419 2.883 10 0 BFAERP CC[N@@H+]1CCCC12CC[NH+](CC1CCC1)CC2 ZINC000096075205 188321185 /nfs/dbraw/zinc/32/11/85/188321185.db2.gz YKDBWDMEOHVNSU-UHFFFAOYSA-N 2 0 236.403 2.737 10 0 BFAERP CC1CCC(C[NH2+]C2(C)CC[NH2+]CC2)CC1 ZINC000335172120 354936537 /nfs/dbraw/zinc/93/65/37/354936537.db2.gz LRHNXDTTYXMZJL-UHFFFAOYSA-N 2 0 224.392 2.544 10 0 BFAERP CCN1CCC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000040502058 358493033 /nfs/dbraw/zinc/49/30/33/358493033.db2.gz HGSAGYNULMROEH-JXQTWKCFSA-N 2 0 224.392 2.639 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000040501963 358492809 /nfs/dbraw/zinc/49/28/09/358492809.db2.gz LBGKYFPAQSMDNP-MJBXVCDLSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]([NH2+]CC1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000414865256 191606068 /nfs/dbraw/zinc/60/60/68/191606068.db2.gz ZFSBRRSUBTVNGI-JYVUQVBGSA-N 2 0 238.419 2.790 10 0 BFAERP CCN1CC[C@@H]([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000389271229 355939116 /nfs/dbraw/zinc/93/91/16/355939116.db2.gz RAYBTFJDZJYXOA-WCQYABFASA-N 2 0 238.400 2.801 10 0 BFAERP Cc1scc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1C ZINC000399817123 359654526 /nfs/dbraw/zinc/65/45/26/359654526.db2.gz RDMJCLRWRCMURN-CYBMUJFWSA-N 2 0 238.400 2.597 10 0 BFAERP C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC000629555337 361446109 /nfs/dbraw/zinc/44/61/09/361446109.db2.gz UZHWAXDTTAWGCE-MJBXVCDLSA-N 2 0 236.403 2.544 10 0 BFAERP [NH3+]C1CCC(C[NH+]2CCCCCCC2)CC1 ZINC000037482417 181341565 /nfs/dbraw/zinc/34/15/65/181341565.db2.gz HYHMZXSNDOKIKJ-UHFFFAOYSA-N 2 0 224.392 2.770 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000252602087 363986650 /nfs/dbraw/zinc/98/66/50/363986650.db2.gz MVNXWIAOOBRPPZ-UMVBOHGHSA-N 2 0 232.371 2.505 10 0 BFAERP [NH3+]CC1(C[NH+]2CCCCCC2)CCCCC1 ZINC000049819831 181358999 /nfs/dbraw/zinc/35/89/99/181358999.db2.gz KGFCRORAJDIHPQ-UHFFFAOYSA-N 2 0 224.392 2.772 10 0 BFAERP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000574544102 365087605 /nfs/dbraw/zinc/08/76/05/365087605.db2.gz IJJMSAVRSOCNKD-HOCLYGCPSA-N 2 0 246.398 2.515 10 0 BFAERP CC[C@H]([NH2+][C@@H]1CCN(CC)C1)C1CCCC1 ZINC000382808282 367559062 /nfs/dbraw/zinc/55/90/62/367559062.db2.gz HHKMVFJGXVNBFD-KGLIPLIRSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000386199706 367927194 /nfs/dbraw/zinc/92/71/94/367927194.db2.gz FMHQZWZMWOQWJM-AGIUHOORSA-N 2 0 226.408 2.918 10 0 BFAERP CCCN(CC)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971308 169131959 /nfs/dbraw/zinc/13/19/59/169131959.db2.gz MSCUIEGMWXGZNF-BXUZGUMPSA-N 2 0 238.350 2.946 10 0 BFAERP c1cc(C[NH2+]C2CC2)cc(C[NH+]2CCCCC2)c1 ZINC000052421181 183349200 /nfs/dbraw/zinc/34/92/00/183349200.db2.gz SBJHVCSBBRVMNJ-UHFFFAOYSA-N 2 0 244.382 2.925 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655921 169209086 /nfs/dbraw/zinc/20/90/86/169209086.db2.gz VAUFFIPHKXVWES-KBPBESRZSA-N 2 0 224.392 2.735 10 0 BFAERP CCC[NH2+]CCC[C@H](C)[N@H+](CC)CCOCC ZINC000104190914 169258526 /nfs/dbraw/zinc/25/85/26/169258526.db2.gz QFEJMVFQSSTKHB-AWEZNQCLSA-N 2 0 244.423 2.513 10 0 BFAERP CCC[NH2+]C[C@@](C)(CC)C[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104409514 169263261 /nfs/dbraw/zinc/26/32/61/169263261.db2.gz YYUQJSYKJZVJBX-SOUVJXGZSA-N 2 0 240.435 2.990 10 0 BFAERP CCC[NH2+]Cc1cc(C[N@H+](C)CCC)oc1C ZINC000052444454 169265860 /nfs/dbraw/zinc/26/58/60/169265860.db2.gz WNLLYOXBGUACMW-UHFFFAOYSA-N 2 0 238.375 2.929 10 0 BFAERP c1ccc(C[N@H+]2CCC[C@H]2C[C@@H]2CCC[NH2+]2)cc1 ZINC000096895235 183398971 /nfs/dbraw/zinc/39/89/71/183398971.db2.gz NDIHTTASYQLTEA-HOTGVXAUSA-N 2 0 244.382 2.793 10 0 BFAERP c1ccc(C[N@H+]2CC[C@H](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000096895230 183401839 /nfs/dbraw/zinc/40/18/39/183401839.db2.gz MVVQNGVKFKAGQI-CVEARBPZSA-N 2 0 244.382 2.651 10 0 BFAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C[C@@H]1C ZINC000049709048 169281560 /nfs/dbraw/zinc/28/15/60/169281560.db2.gz NALICZQFXQLFQR-GXTWGEPZSA-N 2 0 224.392 2.639 10 0 BFAERP CCC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C[C@@H]1C ZINC000049709050 169291930 /nfs/dbraw/zinc/29/19/30/169291930.db2.gz NALICZQFXQLFQR-JSGCOSHPSA-N 2 0 224.392 2.639 10 0 BFAERP CCC[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019113 169369501 /nfs/dbraw/zinc/36/95/01/169369501.db2.gz PTAIPMOTQJSJSO-RLAWYHOSSA-N 2 0 224.392 2.637 10 0 BFAERP C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000580827669 384452745 /nfs/dbraw/zinc/45/27/45/384452745.db2.gz BYCGEUQXGZIRFF-HOCLYGCPSA-N 2 0 246.398 2.597 10 0 BFAERP CC(C)C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000019905765 384556681 /nfs/dbraw/zinc/55/66/81/384556681.db2.gz AVMGREGYUPCVHP-LBPRGKRZSA-N 2 0 214.397 2.598 10 0 BFAERP CC(C)(C)c1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000259026967 384960494 /nfs/dbraw/zinc/96/04/94/384960494.db2.gz ZHOVYKMAKOLQMT-AWEZNQCLSA-N 2 0 246.398 2.683 10 0 BFAERP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCC([NH3+])CC2)o1 ZINC000051692967 385259709 /nfs/dbraw/zinc/25/97/09/385259709.db2.gz JHODYCOSGAHIPX-MLCFOIATSA-N 2 0 248.370 2.763 10 0 BFAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000309319424 385532121 /nfs/dbraw/zinc/53/21/21/385532121.db2.gz GUMFHLACNOYZBK-JHJVBQTASA-N 2 0 226.408 2.776 10 0 BFAERP CCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000309459150 385590563 /nfs/dbraw/zinc/59/05/63/385590563.db2.gz NKBUEVKAGLFINY-JSGCOSHPSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)C[NH3+] ZINC000336677707 385611473 /nfs/dbraw/zinc/61/14/73/385611473.db2.gz QGRCNIRMWNJFIE-YIYPIFLZSA-N 2 0 226.408 2.632 10 0 BFAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415012231 386493761 /nfs/dbraw/zinc/49/37/61/386493761.db2.gz JBKLCNIEGVKNEZ-WYUUTHIRSA-N 2 0 212.381 2.527 10 0 BFAERP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414804850 386608516 /nfs/dbraw/zinc/60/85/16/386608516.db2.gz PDPCOSHNRAVDNW-MRVWCRGKSA-N 2 0 224.392 2.672 10 0 BFAERP C[C@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414820621 386667180 /nfs/dbraw/zinc/66/71/80/386667180.db2.gz AMRQLVZOMBZQCG-SQPSOYEMSA-N 2 0 236.403 2.828 10 0 BFAERP C1CC1[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414837116 386735843 /nfs/dbraw/zinc/73/58/43/386735843.db2.gz VOKWOYWEPHJZBL-YKUJZXIWSA-N 2 0 248.414 2.828 10 0 BFAERP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)C(C)(C)C ZINC000336670338 386803845 /nfs/dbraw/zinc/80/38/45/386803845.db2.gz AFEZYKFLBWVBRZ-CYBMUJFWSA-N 2 0 226.408 2.887 10 0 BFAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2ccccc21 ZINC000336785774 386834130 /nfs/dbraw/zinc/83/41/30/386834130.db2.gz AJWHEJXUZDBXNB-TZMCWYRMSA-N 2 0 248.370 2.617 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)cc1Cl ZINC000575438881 387119363 /nfs/dbraw/zinc/11/93/63/387119363.db2.gz FAPLMMZAXMPKIT-LLVKDONJSA-N 2 0 230.714 2.608 10 0 BFAERP Cc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422711012 387624573 /nfs/dbraw/zinc/62/45/73/387624573.db2.gz MPFRJYDIMJWYFW-CHWSQXEVSA-N 2 0 232.371 2.562 10 0 BFAERP CC(C)[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575561934 387702241 /nfs/dbraw/zinc/70/22/41/387702241.db2.gz XBTFVRGKTNACEL-HIFRSBDPSA-N 2 0 232.371 2.634 10 0 BFAERP CC(C)[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575561939 387702845 /nfs/dbraw/zinc/70/28/45/387702845.db2.gz XBTFVRGKTNACEL-ZFWWWQNUSA-N 2 0 232.371 2.634 10 0 BFAERP CCN1CCC[C@@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000309494285 387809974 /nfs/dbraw/zinc/80/99/74/387809974.db2.gz XZGHLXLCABHRGD-UONOGXRCSA-N 2 0 222.376 2.559 10 0 BFAERP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000423221307 388002268 /nfs/dbraw/zinc/00/22/68/388002268.db2.gz ZFRZYZNCAKRBSY-MDFVCYEDSA-N 2 0 236.384 2.682 10 0 BFAERP C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000643492777 388091311 /nfs/dbraw/zinc/09/13/11/388091311.db2.gz CYKDVBXPNMBJSU-OLZOCXBDSA-N 2 0 238.419 2.790 10 0 BFAERP Cc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000310865040 388489482 /nfs/dbraw/zinc/48/94/82/388489482.db2.gz DLAAMJIRXSZHNH-IJEWVQPXSA-N 2 0 246.398 2.973 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000516642933 388512354 /nfs/dbraw/zinc/51/23/54/388512354.db2.gz FFBNNZOOHFHRBZ-YNEHKIRRSA-N 2 0 224.392 2.543 10 0 BFAERP CC(C)CC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000565827696 388971423 /nfs/dbraw/zinc/97/14/23/388971423.db2.gz AWYJYXFBCYJUGD-KGLIPLIRSA-N 2 0 238.419 2.790 10 0 BFAERP CC(C)CC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000565827697 388971582 /nfs/dbraw/zinc/97/15/82/388971582.db2.gz AWYJYXFBCYJUGD-UONOGXRCSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400501094 533374332 /nfs/dbraw/zinc/37/43/32/533374332.db2.gz IPASNHFNVUJVTN-TZMCWYRMSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@@H]([NH2+][C@@H](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400477652 533495529 /nfs/dbraw/zinc/49/55/29/533495529.db2.gz DSSRGWCCQFVCQS-SCRDCRAPSA-N 2 0 224.392 2.543 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858849 134370580 /nfs/dbraw/zinc/37/05/80/134370580.db2.gz WNEWJZZFUPXPLD-UONOGXRCSA-N 2 0 226.408 2.743 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)C1 ZINC000227192229 134375134 /nfs/dbraw/zinc/37/51/34/134375134.db2.gz ALHSOBFTRINJJL-BARDWOONSA-N 2 0 236.403 2.782 10 0 BFAERP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251444547 135069944 /nfs/dbraw/zinc/06/99/44/135069944.db2.gz WDPMWJIGVIMLKT-AVGNSLFASA-N 2 0 212.381 2.528 10 0 BFAERP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1C ZINC000261560316 135201405 /nfs/dbraw/zinc/20/14/05/135201405.db2.gz FGWWQTGMBMYWOQ-OAHLLOKOSA-N 2 0 246.398 2.863 10 0 BFAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000261568744 135210830 /nfs/dbraw/zinc/21/08/30/135210830.db2.gz FVAJGIBVOIOGBB-GMTAPVOTSA-N 2 0 240.778 2.596 10 0 BFAERP C[C@@H](C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261568839 135210950 /nfs/dbraw/zinc/21/09/50/135210950.db2.gz JMCRWYANAIOYDP-ZFWWWQNUSA-N 2 0 246.398 2.849 10 0 BFAERP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261568838 135211770 /nfs/dbraw/zinc/21/17/70/135211770.db2.gz JMCRWYANAIOYDP-UKRRQHHQSA-N 2 0 246.398 2.849 10 0 BFAERP CC(C)C[NH2+]CCCCC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543884 167003334 /nfs/dbraw/zinc/00/33/34/167003334.db2.gz ISCUGAAJNFCYMD-LSDHHAIUSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000053649053 167114980 /nfs/dbraw/zinc/11/49/80/167114980.db2.gz ZSXDFRBXMOTWMS-CQSZACIVSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)[NH2+]CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095088473 167108694 /nfs/dbraw/zinc/10/86/94/167108694.db2.gz SLGMAWQXTSQGFO-MRXNPFEDSA-N 2 0 246.398 2.897 10 0 BFAERP CC(C)[NH2+][C@@]1(CN)C[C@H](C)CC(C)(C)C1 ZINC000050270737 167137058 /nfs/dbraw/zinc/13/70/58/167137058.db2.gz LBMCDAUGNPYZPN-YPMHNXCESA-N 2 0 212.381 2.528 10 0 BFAERP Cc1cc(N(C)CC(C)(C)[NH3+])c2ccccc2[nH+]1 ZINC000656609545 411308880 /nfs/dbraw/zinc/30/88/80/411308880.db2.gz PSMIBUXAECXYKZ-UHFFFAOYSA-N 2 0 243.354 2.717 10 0 BFAERP CC1CCC(C)([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000336409291 168150633 /nfs/dbraw/zinc/15/06/33/168150633.db2.gz GCCQYGPXAZYUAA-MOKVOYLWSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)C[NH+](C)C ZINC000336694453 168155068 /nfs/dbraw/zinc/15/50/68/168155068.db2.gz YBWPVSGMCHAHMR-MOKVOYLWSA-N 2 0 226.408 2.600 10 0 BFAERP CC1CCC([NH+]2C[C@@H](C)C[NH2+]C[C@H](C)C2)CC1 ZINC000049665448 168159110 /nfs/dbraw/zinc/15/91/10/168159110.db2.gz CVTKLSOOZUKGMU-GQKFXUNGSA-N 2 0 238.419 2.743 10 0 BFAERP CCC(C)(C)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049664990 168287587 /nfs/dbraw/zinc/28/75/87/168287587.db2.gz JSKUMFPFCSZXFU-TXEJJXNPSA-N 2 0 212.381 2.637 10 0 BFAERP CC[NH2+]C1CC[NH+](C2CCCCCC2)CC1 ZINC000037242446 170108276 /nfs/dbraw/zinc/10/82/76/170108276.db2.gz BCCLRDJMSSPQDK-UHFFFAOYSA-N 2 0 224.392 2.783 10 0 BFAERP CC[NH2+]CCC[N@H+](Cc1ccccc1)C(C)C ZINC000042409383 170112442 /nfs/dbraw/zinc/11/24/42/170112442.db2.gz KSRYJUWUXASBKQ-UHFFFAOYSA-N 2 0 234.387 2.897 10 0 BFAERP CC[NH2+]CC[C@@H](C)[N@H+](CC)Cc1ccccc1 ZINC000052443830 170116654 /nfs/dbraw/zinc/11/66/54/170116654.db2.gz FYXBIKDXMRGDPO-CQSZACIVSA-N 2 0 234.387 2.897 10 0 BFAERP CC[NH2+]C[C@](C)(C[N@H+](C)CC)c1ccccc1 ZINC000051214985 170123873 /nfs/dbraw/zinc/12/38/73/170123873.db2.gz YALSTTLNDSPFOF-OAHLLOKOSA-N 2 0 234.387 2.506 10 0 BFAERP CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045205610 170126552 /nfs/dbraw/zinc/12/65/52/170126552.db2.gz YDRFIXHWQQXPES-UHFFFAOYSA-N 2 0 232.371 2.782 10 0 BFAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@@H](C)CC)cc1C ZINC000052444345 170131886 /nfs/dbraw/zinc/13/18/86/170131886.db2.gz AXDLLOHVXUIJIZ-LBPRGKRZSA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@H+](C)CC1CC1 ZINC000053870083 170150885 /nfs/dbraw/zinc/15/08/85/170150885.db2.gz AVFICXIWBNALKF-LSDHHAIUSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000054554553 170153156 /nfs/dbraw/zinc/15/31/56/170153156.db2.gz VOKMMLABFKQVCK-KFWWJZLASA-N 2 0 238.419 2.885 10 0 BFAERP CC[NH2+][C@H]1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000053861132 170165586 /nfs/dbraw/zinc/16/55/86/170165586.db2.gz YHNSNKMJJBLACO-KBPBESRZSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000053861964 170166880 /nfs/dbraw/zinc/16/68/80/170166880.db2.gz FGPLVNFIIRPPHQ-KBPBESRZSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](Cc2cccc(C)c2)C[C@@H]1C ZINC000049712998 170168338 /nfs/dbraw/zinc/16/83/38/170168338.db2.gz CIMRMVOJKNURFY-HOCLYGCPSA-N 2 0 246.398 2.815 10 0 BFAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)CC(C)C ZINC000053865786 170168811 /nfs/dbraw/zinc/16/88/11/170168811.db2.gz QZVNIKRUZZBBNN-ZNMIVQPWSA-N 2 0 240.435 2.989 10 0 BFAERP CC[C@@H]1CC[N@@H+](C2CCCC2)C[C@H](C)C[NH2+]1 ZINC000049664891 171009941 /nfs/dbraw/zinc/00/99/41/171009941.db2.gz DXOQOSUVVXPWPI-CHWSQXEVSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](C[N@H+](C)CC2CC2)C1 ZINC000053869993 171040250 /nfs/dbraw/zinc/04/02/50/171040250.db2.gz PBBOMSOPFMUFQX-VHDGCEQUSA-N 2 0 238.419 2.743 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](C[NH+]2CCCCC2)C1 ZINC000053862470 171040344 /nfs/dbraw/zinc/04/03/44/171040344.db2.gz JOHHGKRFYOLAML-QLFBSQMISA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104406842 171055665 /nfs/dbraw/zinc/05/56/65/171055665.db2.gz NEGJNHYUXLQWIJ-AICCOOGYSA-N 2 0 238.419 2.728 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](C[N@H+](C)CC2CC2)C1 ZINC000053869989 171056108 /nfs/dbraw/zinc/05/61/08/171056108.db2.gz PBBOMSOPFMUFQX-SNPRPXQTSA-N 2 0 238.419 2.743 10 0 BFAERP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+](C)[C@@H](C)C1CC1 ZINC000051217608 171167282 /nfs/dbraw/zinc/16/72/82/171167282.db2.gz XNWKIPZUSUDGED-WFASDCNBSA-N 2 0 238.419 2.885 10 0 BFAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294709 412082116 /nfs/dbraw/zinc/08/21/16/412082116.db2.gz SDSXEFMNPDKVIE-UKRRQHHQSA-N 2 0 238.419 2.743 10 0 BFAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294708 412082283 /nfs/dbraw/zinc/08/22/83/412082283.db2.gz SDSXEFMNPDKVIE-HIFRSBDPSA-N 2 0 238.419 2.743 10 0 BFAERP C[NH2+]CC1(C[NH+]2CCCCC2)CCCCC1 ZINC000051211113 173337386 /nfs/dbraw/zinc/33/73/86/173337386.db2.gz HDYCBOKQBXRXOT-UHFFFAOYSA-N 2 0 224.392 2.642 10 0 BFAERP C[NH2+]C[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000040591855 173368283 /nfs/dbraw/zinc/36/82/83/173368283.db2.gz QUDLDGUZKITGTH-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]C[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000040591858 173379355 /nfs/dbraw/zinc/37/93/55/173379355.db2.gz QUDLDGUZKITGTH-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]Cc1c2ccccc2oc1C[NH+]1CCCC1 ZINC000052377502 173385069 /nfs/dbraw/zinc/38/50/69/173385069.db2.gz HVHBGPMHXMUXMB-UHFFFAOYSA-N 2 0 244.338 2.748 10 0 BFAERP C[NH2+]Cc1ccoc1C[N@H+](CC(C)C)C(C)C ZINC000052572548 173391490 /nfs/dbraw/zinc/39/14/90/173391490.db2.gz JMIAEIHVBQEMAL-UHFFFAOYSA-N 2 0 238.375 2.865 10 0 BFAERP C[NH2+]Cc1oc(C[N@@H+]2CCCC[C@H]2C)cc1C ZINC000052379143 173399420 /nfs/dbraw/zinc/39/94/20/173399420.db2.gz QFENOQUCMIWHEZ-GFCCVEGCSA-N 2 0 236.359 2.682 10 0 BFAERP COc1ccc([C@@H](C)[NH3+])cc1C[N@H+](C)C(C)C ZINC000037642142 175176326 /nfs/dbraw/zinc/17/63/26/175176326.db2.gz POPBHILPBBEJNJ-LLVKDONJSA-N 2 0 236.359 2.555 10 0 BFAERP C[C@@H](c1ccccc1F)[N@H+](C)CCCC(N)=[NH2+] ZINC000062014885 176025076 /nfs/dbraw/zinc/02/50/76/176025076.db2.gz DLVCEFCBPWEAEL-JTQLQIEISA-N 2 0 237.322 2.535 10 0 BFAERP C[C@@H](c1ccco1)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049666194 176032699 /nfs/dbraw/zinc/03/26/99/176032699.db2.gz QGDOXBIJBKOBKJ-UPJWGTAASA-N 2 0 236.359 2.803 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952266 176072151 /nfs/dbraw/zinc/07/21/51/176072151.db2.gz OQGVWOCSXHELJI-KGLIPLIRSA-N 2 0 224.392 2.783 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053861509 176073196 /nfs/dbraw/zinc/07/31/96/176073196.db2.gz SHZMGOOGBKOOAC-RDBSUJKOSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@@H]1CC[NH+](C2CCCCC2)CC[C@@H](C)[NH2+]1 ZINC000049665025 176167684 /nfs/dbraw/zinc/16/76/84/176167684.db2.gz MEBRLIDXNKXWCU-CHWSQXEVSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@@H]1CC[N@H+](CC(C)(C)C[NH2+]C2CC2)[C@H](C)C1 ZINC000051748533 176169140 /nfs/dbraw/zinc/16/91/40/176169140.db2.gz GQYXHHVUFOXRHA-CHWSQXEVSA-N 2 0 238.419 2.885 10 0 BFAERP C[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000052484608 176174183 /nfs/dbraw/zinc/17/41/83/176174183.db2.gz GVPKOLHECSZYTD-CYBMUJFWSA-N 2 0 244.382 2.780 10 0 BFAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2Cc3ccccc3C2)C1 ZINC000050910477 176202164 /nfs/dbraw/zinc/20/21/64/176202164.db2.gz LKGYLSACGOEOBX-DVOMOZLQSA-N 2 0 244.382 2.766 10 0 BFAERP C[C@@H]1C[NH2+]CCC[N@H+](CCC2CCCCC2)C1 ZINC000049666931 176324416 /nfs/dbraw/zinc/32/44/16/176324416.db2.gz HKWXWNPYUKZITA-CQSZACIVSA-N 2 0 238.419 2.888 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCCCC1 ZINC000049710531 176372057 /nfs/dbraw/zinc/37/20/57/176372057.db2.gz FJLRFTXDJJRATC-NEPJUHHUSA-N 2 0 210.365 2.521 10 0 BFAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000019407523 177076428 /nfs/dbraw/zinc/07/64/28/177076428.db2.gz QKPRJLBZCJJFRK-NSHDSACASA-N 2 0 236.334 2.659 10 0 BFAERP C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408411 177082514 /nfs/dbraw/zinc/08/25/14/177082514.db2.gz RPERLMYOWZZQEQ-YDHLFZDLSA-N 2 0 236.403 2.639 10 0 BFAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCN1CCCCC1 ZINC000049574454 177114227 /nfs/dbraw/zinc/11/42/27/177114227.db2.gz LUIYECNSSUXVOK-YIONKMFJSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C[NH3+])cc1 ZINC000022221981 177132222 /nfs/dbraw/zinc/13/22/22/177132222.db2.gz BKKDFQGYKDYOQB-STQMWFEESA-N 2 0 232.371 2.908 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1C(N)=[NH2+] ZINC000034717608 177132449 /nfs/dbraw/zinc/13/24/49/177132449.db2.gz SICWPDZXVVQOST-RYUDHWBXSA-N 2 0 245.370 2.734 10 0 BFAERP C[C@H]1CC[N@H+](CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000051249953 177159171 /nfs/dbraw/zinc/15/91/71/177159171.db2.gz RKLNLZUCRAXDDA-ZDUSSCGKSA-N 2 0 236.403 2.641 10 0 BFAERP C[C@H]1CC[N@H+](CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401774 177160961 /nfs/dbraw/zinc/16/09/61/177160961.db2.gz KMMKTEMWZNUILC-ZFWWWQNUSA-N 2 0 232.371 2.808 10 0 BFAERP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664199 177165584 /nfs/dbraw/zinc/16/55/84/177165584.db2.gz QRNDVXHKTCAXSI-OKILXGFUSA-N 2 0 232.371 2.649 10 0 BFAERP C[C@H]1C[N@@H+](C(C)(C)CC(C)(C)C)CC[C@@H]1[NH3+] ZINC000043435726 177232248 /nfs/dbraw/zinc/23/22/48/177232248.db2.gz ADGOZHBCRBUDEY-RYUDHWBXSA-N 2 0 226.408 2.870 10 0 BFAERP C[C@H]1C[NH2+]C[C@@H]1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000104217893 177285374 /nfs/dbraw/zinc/28/53/74/177285374.db2.gz LZEWGADTNOYLOD-QWHCGFSZSA-N 2 0 238.419 2.600 10 0 BFAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C2CCCCCC2)C1 ZINC000049665849 177285835 /nfs/dbraw/zinc/28/58/35/177285835.db2.gz LTMCRXHWDGKLRQ-KBPBESRZSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694218 177327676 /nfs/dbraw/zinc/32/76/76/177327676.db2.gz WNZWNQXTGGXDPC-KORRQRHVSA-N 2 0 248.414 2.767 10 0 BFAERP Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361193 226341842 /nfs/dbraw/zinc/34/18/42/226341842.db2.gz NRANVGGGAFHGAX-RDBSUJKOSA-N 2 0 232.371 2.644 10 0 BFAERP C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400697335 226349739 /nfs/dbraw/zinc/34/97/39/226349739.db2.gz JJJKEXMCMACSEV-FMKPAKJESA-N 2 0 246.398 2.595 10 0 BFAERP Cc1cccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811636 226351906 /nfs/dbraw/zinc/35/19/06/226351906.db2.gz YOUNPUBBXRHTLW-YDHLFZDLSA-N 2 0 232.371 2.786 10 0 BFAERP CC[C@H]1C[N@H+](CC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000251658928 487782666 /nfs/dbraw/zinc/78/26/66/487782666.db2.gz GXYDKNPIFZMQMD-PFSRBDOWSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC23CCC3)C[C@@]1(C)C[NH3+] ZINC000394758424 323107827 /nfs/dbraw/zinc/10/78/27/323107827.db2.gz ZSMVOYMQFSPUDF-MGPQQGTHSA-N 2 0 236.403 2.626 10 0 BFAERP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC000567639940 326236727 /nfs/dbraw/zinc/23/67/27/326236727.db2.gz JUSLYCOYLNKHQN-HKKVPVCXSA-N 2 0 236.403 2.543 10 0 BFAERP CC[C@H](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567647054 326237896 /nfs/dbraw/zinc/23/78/96/326237896.db2.gz OXBRRSFJWIXVPX-FQUUOJAGSA-N 2 0 226.408 2.789 10 0 BFAERP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCCCC1(F)F ZINC000382217417 490136699 /nfs/dbraw/zinc/13/66/99/490136699.db2.gz VCTWTAMXIQTGNU-NEPJUHHUSA-N 2 0 248.361 2.775 10 0 BFAERP C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400489571 491073016 /nfs/dbraw/zinc/07/30/16/491073016.db2.gz YSQIBEOGBOPPHC-TUVASFSCSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400500208 533811366 /nfs/dbraw/zinc/81/13/66/533811366.db2.gz BVQADTUNIWQRMH-FRRDWIJNSA-N 2 0 226.408 2.789 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400415102 533828086 /nfs/dbraw/zinc/82/80/86/533828086.db2.gz UYMPGVHCSRBVAQ-RYUDHWBXSA-N 2 0 226.408 2.646 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1CC[C@@H]([NH3+])c1ccccc1 ZINC000020071576 524111958 /nfs/dbraw/zinc/11/19/58/524111958.db2.gz UKXKRYBHWCXACG-UKRRQHHQSA-N 2 0 232.371 2.951 10 0 BFAERP C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000247954487 525083700 /nfs/dbraw/zinc/08/37/00/525083700.db2.gz ZOZDGKPSUAGAMX-SGPHBRAGSA-N 2 0 246.398 2.879 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400393007 527706390 /nfs/dbraw/zinc/70/63/90/527706390.db2.gz NTDHOAGFNRXFGE-IHRRRGAJSA-N 2 0 226.408 2.789 10 0 BFAERP CCC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CCCC1 ZINC000400533709 527751851 /nfs/dbraw/zinc/75/18/51/527751851.db2.gz SKCYZGCHCCCRQT-STQMWFEESA-N 2 0 224.392 2.544 10 0 BFAERP CCC1CCC(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400335539 527832342 /nfs/dbraw/zinc/83/23/42/527832342.db2.gz HFMRQPXSKQHOOR-XSCHDIRWSA-N 2 0 238.419 2.790 10 0 BFAERP CCCC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400455031 528061597 /nfs/dbraw/zinc/06/15/97/528061597.db2.gz PRLYOXNFLJOQIU-STQMWFEESA-N 2 0 224.392 2.544 10 0 BFAERP CCC(CC)(CC)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400502538 528630530 /nfs/dbraw/zinc/63/05/30/528630530.db2.gz CLONUICNMHLIKA-STQMWFEESA-N 2 0 226.408 2.790 10 0 BFAERP CCCC[C@H](CC)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400398487 528913984 /nfs/dbraw/zinc/91/39/84/528913984.db2.gz PDHOQORGOGUVRL-RDBSUJKOSA-N 2 0 226.408 2.790 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400497361 529283130 /nfs/dbraw/zinc/28/31/30/529283130.db2.gz HQCSYVJQFIMGCS-MQYQWHSLSA-N 2 0 224.392 2.543 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757131016 582505734 /nfs/dbraw/zinc/50/57/34/582505734.db2.gz OXAPGDDMHKQIDJ-TZMCWYRMSA-N 2 0 224.392 2.782 10 0 BFAERP CCC[N@@H+]1CCC[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757572986 586382666 /nfs/dbraw/zinc/38/26/66/586382666.db2.gz WBWKZESDPUCSON-OAHLLOKOSA-N 2 0 232.371 2.735 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757129062 586426245 /nfs/dbraw/zinc/42/62/45/586426245.db2.gz KRMQIKXXINFVDR-IHRRRGAJSA-N 2 0 224.392 2.782 10 0 BFAERP CC1(c2ccc([C@@H]3C[C@H](C[NH3+])CC[NH2+]3)cc2)CC1 ZINC000757208435 586437768 /nfs/dbraw/zinc/43/77/68/586437768.db2.gz CRIVSLNVFUGBRX-DOMZBBRYSA-N 2 0 244.382 2.738 10 0 BFAERP [NH3+]C[C@H]1CC[NH2+][C@@H](c2cscc2C(F)F)C1 ZINC000757235798 586443610 /nfs/dbraw/zinc/44/36/10/586443610.db2.gz MTWKHYKKFNEAAE-OIBJUYFYSA-N 2 0 246.326 2.685 10 0 BFAERP CCC(CC)(C[NH2+][C@@H]1CCC[NH2+]CC1)SC ZINC000232934253 642449101 /nfs/dbraw/zinc/44/91/01/642449101.db2.gz MXWDALPADOAPNC-GFCCVEGCSA-N 2 0 244.448 2.640 10 0 BFAERP CC(C)[N@@H+]1CCC[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757572083 644851094 /nfs/dbraw/zinc/85/10/94/644851094.db2.gz NYWACMDLYGNPML-OAHLLOKOSA-N 2 0 232.371 2.733 10 0 BFAERP CC[C@H]([C@@H]1C[C@H]1C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752980 712497383 /nfs/dbraw/zinc/49/73/83/712497383.db2.gz GPCHSFBLSXZFDB-JHJVBQTASA-N 2 0 224.392 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+](C2CCCCCC2)CC1 ZINC000714758777 712497581 /nfs/dbraw/zinc/49/75/81/712497581.db2.gz WCHQJLQSMZKIIZ-UHFFFAOYSA-N 2 0 224.392 2.913 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000714750286 712497353 /nfs/dbraw/zinc/49/73/53/712497353.db2.gz POEOPTZXSDCWQP-GFCCVEGCSA-N 2 0 212.381 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000714756815 712497745 /nfs/dbraw/zinc/49/77/45/712497745.db2.gz GGISRQAJMYMKLM-OAHLLOKOSA-N 2 0 244.382 2.877 10 0 BFAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000715492586 712523450 /nfs/dbraw/zinc/52/34/50/712523450.db2.gz VPPGVEKUIMMIPA-JKSUJKDBSA-N 2 0 246.398 2.692 10 0 BFAERP CCC1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C(C)C ZINC000685952999 538896588 /nfs/dbraw/zinc/89/65/88/538896588.db2.gz FFWSVSIBGRUQKF-ROKHWSDSSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@](C[NH3+])([NH2+]Cc1ccccc1)[C@@H]1CC1(C)C ZINC000307504806 398173510 /nfs/dbraw/zinc/17/35/10/398173510.db2.gz POVZAGUICUKKAG-HIFRSBDPSA-N 2 0 232.371 2.540 10 0 BFAERP CC(C)C(C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000576338142 365560392 /nfs/dbraw/zinc/56/03/92/365560392.db2.gz ROXIWVSUAWALEN-ZIAGYGMSSA-N 2 0 240.435 2.892 10 0 BFAERP Cc1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000302586135 178190627 /nfs/dbraw/zinc/19/06/27/178190627.db2.gz UVHYAOPFVHHGQS-FZMZJTMJSA-N 2 0 233.359 2.531 10 0 BFAERP Cc1cc([C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000049509040 178221568 /nfs/dbraw/zinc/22/15/68/178221568.db2.gz RBVFQYUMYQWYEU-ZYHUDNBSSA-N 2 0 238.400 2.707 10 0 BFAERP CCC(CC)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049664928 168376523 /nfs/dbraw/zinc/37/65/23/168376523.db2.gz QHPRTOQSFKDWQL-VXGBXAGGSA-N 2 0 212.381 2.637 10 0 BFAERP [NH3+]C1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000335022773 398275376 /nfs/dbraw/zinc/27/53/76/398275376.db2.gz MIPDCADOTHKKBZ-UHFFFAOYSA-N 2 0 246.345 2.671 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400423008 529651150 /nfs/dbraw/zinc/65/11/50/529651150.db2.gz XRBJMJHXBIMSRY-QEJZJMRPSA-N 2 0 232.371 2.725 10 0 BFAERP CC[NH2+]C(C)(C)CN(CC)Cc1ccccc1 ZINC000061299649 344904205 /nfs/dbraw/zinc/90/42/05/344904205.db2.gz FCKUBMUZSSRIQV-UHFFFAOYSA-N 2 0 234.387 2.897 10 0 BFAERP CC[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224400993 344915704 /nfs/dbraw/zinc/91/57/04/344915704.db2.gz DCKBAZAOUYNTDR-DZGCQCFKSA-N 2 0 232.371 2.649 10 0 BFAERP CCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000635020832 345223251 /nfs/dbraw/zinc/22/32/51/345223251.db2.gz MKRYVSONZKWAMX-STQMWFEESA-N 2 0 226.408 2.790 10 0 BFAERP Cc1cccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000053859845 179066788 /nfs/dbraw/zinc/06/67/88/179066788.db2.gz KEZCQOLMLFWKRB-CVEARBPZSA-N 2 0 246.398 2.944 10 0 BFAERP CCC[N@H+](C)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669379700 537982748 /nfs/dbraw/zinc/98/27/48/537982748.db2.gz KBRPOFYHXLMTIJ-UHFFFAOYSA-N 2 0 226.751 2.641 10 0 BFAERP C(C[NH2+]C(C1CC1)C1CC1)[NH2+]C(C1CC1)C1CC1 ZINC000039042952 347174844 /nfs/dbraw/zinc/17/48/44/347174844.db2.gz LYHMTVVJCPBHJS-UHFFFAOYSA-N 2 0 248.414 2.543 10 0 BFAERP Cc1cccc2c(NCC[NH+](C)C)cc[nH+]c12 ZINC000301952914 179212032 /nfs/dbraw/zinc/21/20/32/179212032.db2.gz HOBIMVGUJZTPKA-UHFFFAOYSA-N 2 0 229.327 2.517 10 0 BFAERP Cc1ccccc1C[N@H+](C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000053859355 179270505 /nfs/dbraw/zinc/27/05/05/179270505.db2.gz BQHBBXURGOWSDM-CVEARBPZSA-N 2 0 246.398 2.944 10 0 BFAERP Cc1ccccc1C[N@@H+]1CCC[C@@H]1CCC[NH3+] ZINC000104320968 179273397 /nfs/dbraw/zinc/27/33/97/179273397.db2.gz FJWCQFWCYASZDB-HNNXBMFYSA-N 2 0 232.371 2.698 10 0 BFAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000037646082 179321375 /nfs/dbraw/zinc/32/13/75/179321375.db2.gz LPERBAKPRKQMBQ-ZIAGYGMSSA-N 2 0 232.371 2.597 10 0 BFAERP Cc1[nH+]ccc(N[C@@H](C)CCCC[NH3+])c1Cl ZINC000309489613 180202820 /nfs/dbraw/zinc/20/28/20/180202820.db2.gz ZHALJPRGCXKSFY-VIFPVBQESA-N 2 0 241.766 2.973 10 0 BFAERP Cc1ccc(C)c([C@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000034958712 351362136 /nfs/dbraw/zinc/36/21/36/351362136.db2.gz LGVKMCURYHPABF-ZDUSSCGKSA-N 2 0 232.371 2.788 10 0 BFAERP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000629531191 538107659 /nfs/dbraw/zinc/10/76/59/538107659.db2.gz CZJXSXUAHDILBA-MNOVXSKESA-N 2 0 248.361 2.646 10 0 BFAERP CCc1ccc([C@@H](CC)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022098015 188109410 /nfs/dbraw/zinc/10/94/10/188109410.db2.gz RUDSHZAIRGBZMJ-MRXNPFEDSA-N 2 0 246.398 2.995 10 0 BFAERP CC(C)C[C@H](C)[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042584046 188120260 /nfs/dbraw/zinc/12/02/60/188120260.db2.gz GKVUADUFCVBQFB-LBPRGKRZSA-N 2 0 247.386 2.837 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710738 188125724 /nfs/dbraw/zinc/12/57/24/188125724.db2.gz URPUGKVVLVXPLK-TZMCWYRMSA-N 2 0 224.392 2.639 10 0 BFAERP CCN1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000040501957 358492955 /nfs/dbraw/zinc/49/29/55/358492955.db2.gz DMJPIDYKQZIUAW-INIZCTEOSA-N 2 0 246.398 2.877 10 0 BFAERP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CC1(C)C ZINC000397665524 355333446 /nfs/dbraw/zinc/33/34/46/355333446.db2.gz OYFJSZNMWJQQAY-IFWUJCSASA-N 2 0 224.392 2.671 10 0 BFAERP C[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415016178 191651046 /nfs/dbraw/zinc/65/10/46/191651046.db2.gz BSUNHPDBZAVRKQ-FRRDWIJNSA-N 2 0 226.408 2.918 10 0 BFAERP CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000389142874 355730803 /nfs/dbraw/zinc/73/08/03/355730803.db2.gz HNWBDXRIHPNWHT-ILXRZTDVSA-N 2 0 238.419 2.885 10 0 BFAERP CC1(C)CC[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000257767770 538754936 /nfs/dbraw/zinc/75/49/36/538754936.db2.gz FXSABHAGXXKWPC-OLZOCXBDSA-N 2 0 224.392 2.626 10 0 BFAERP CC(C)[NH2+]C[C@@H](C[NH3+])C1CCCCCC1 ZINC000685946077 538887649 /nfs/dbraw/zinc/88/76/49/538887649.db2.gz DBAJOOBSICMRTF-CYBMUJFWSA-N 2 0 212.381 2.530 10 0 BFAERP CC[C@H]1CC[C@H](CC[NH+]2CCCCC2)[N@H+](C)C1 ZINC000584652402 358307517 /nfs/dbraw/zinc/30/75/17/358307517.db2.gz JOLHHPBOZQCLKE-LSDHHAIUSA-N 2 0 238.419 2.983 10 0 BFAERP CC[C@@H]1CC[C@@H](CC[NH+]2CCCCC2)[N@H+](C)C1 ZINC000584652389 358307733 /nfs/dbraw/zinc/30/77/33/358307733.db2.gz JOLHHPBOZQCLKE-CABCVRRESA-N 2 0 238.419 2.983 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000579461685 366813591 /nfs/dbraw/zinc/81/35/91/366813591.db2.gz QIZUZAXINAOLOP-QEJZJMRPSA-N 2 0 238.419 2.933 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000579461684 366813326 /nfs/dbraw/zinc/81/33/26/366813326.db2.gz QIZUZAXINAOLOP-CFVMTHIKSA-N 2 0 238.419 2.933 10 0 BFAERP [NH3+]C1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000036754368 181343961 /nfs/dbraw/zinc/34/39/61/181343961.db2.gz DHFFGIQPNLVOPO-UHFFFAOYSA-N 2 0 248.414 2.626 10 0 BFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCc2ccccc21 ZINC000040749083 181345393 /nfs/dbraw/zinc/34/53/93/181345393.db2.gz XGAPODSQPJDDHI-HUORLRHWSA-N 2 0 242.366 2.628 10 0 BFAERP CCC[NH+](CCC)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725269746 541339155 /nfs/dbraw/zinc/33/91/55/541339155.db2.gz CPDQTKWZFGBZMY-ROKHWSDSSA-N 2 0 224.392 2.768 10 0 BFAERP [NH3+]CC1(C[NH+]2Cc3ccccc3C2)CCCCC1 ZINC000051249402 181358993 /nfs/dbraw/zinc/35/89/93/181358993.db2.gz RIMDFBKHZNANPP-UHFFFAOYSA-N 2 0 244.382 2.911 10 0 BFAERP [NH3+]CCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000037713085 181383491 /nfs/dbraw/zinc/38/34/91/181383491.db2.gz QMJJCFVESOVLOC-UHFFFAOYSA-N 2 0 240.350 2.792 10 0 BFAERP [NH3+]CCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000082343866 181385285 /nfs/dbraw/zinc/38/52/85/181385285.db2.gz DYOLSWARDAFROU-OAHLLOKOSA-N 2 0 232.371 2.780 10 0 BFAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000104319670 181385904 /nfs/dbraw/zinc/38/59/04/181385904.db2.gz ILTVDYYBACBMMM-MRXNPFEDSA-N 2 0 246.398 2.823 10 0 BFAERP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000574544101 365087701 /nfs/dbraw/zinc/08/77/01/365087701.db2.gz IJJMSAVRSOCNKD-GOEBONIOSA-N 2 0 246.398 2.515 10 0 BFAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581661301 367663010 /nfs/dbraw/zinc/66/30/10/367663010.db2.gz KOVZJDLXWJDAPW-MQYQWHSLSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H]([NH2+]CC1C(C)(C)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567639653 326236651 /nfs/dbraw/zinc/23/66/51/326236651.db2.gz GIMJQMBYOPRKKV-NWDGAFQWSA-N 2 0 238.419 2.646 10 0 BFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000310092131 370297364 /nfs/dbraw/zinc/29/73/64/370297364.db2.gz RWRFESBNFKKMBT-UMVBOHGHSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000631836979 372625070 /nfs/dbraw/zinc/62/50/70/372625070.db2.gz KXFDQYXSAQEBNU-LRDDRELGSA-N 2 0 244.382 2.591 10 0 BFAERP CC[NH2+][C@@H](C)CC[N@H+](C)Cc1ccc(C)cc1 ZINC000061274965 170138634 /nfs/dbraw/zinc/13/86/34/170138634.db2.gz IOPYUHZWNTXEOU-AWEZNQCLSA-N 2 0 234.387 2.815 10 0 BFAERP CCCC[C@H](C)[NH2+]C[C@H](C[NH3+])c1ccccc1 ZINC000061613745 168990365 /nfs/dbraw/zinc/99/03/65/168990365.db2.gz DLXNOLUNIGWCSR-ZFWWWQNUSA-N 2 0 234.387 2.897 10 0 BFAERP CCC[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054559755 169079067 /nfs/dbraw/zinc/07/90/67/169079067.db2.gz HMRAXKUAVISOPQ-ILXRZTDVSA-N 2 0 240.435 2.989 10 0 BFAERP CCC[NH+](CCC)Cc1ccccc1C[NH3+] ZINC000020284069 169148912 /nfs/dbraw/zinc/14/89/12/169148912.db2.gz ZXFWHBYCFOFUOQ-UHFFFAOYSA-N 2 0 220.360 2.767 10 0 BFAERP CCC[NH+](CCC)Cc1ccc(C[NH3+])cc1 ZINC000021952434 169149336 /nfs/dbraw/zinc/14/93/36/169149336.db2.gz OMGAOQDWZLXTHJ-UHFFFAOYSA-N 2 0 220.360 2.767 10 0 BFAERP CCC[N@H+](CC)[C@H](CN)c1ccc(CC)cc1 ZINC000037094658 169131791 /nfs/dbraw/zinc/13/17/91/169131791.db2.gz MGPZXBQJCSPYJF-OAHLLOKOSA-N 2 0 234.387 2.981 10 0 BFAERP CCC[N@H+](C[C@@H](C[NH3+])c1ccccc1)CC1CC1 ZINC000035731461 169138710 /nfs/dbraw/zinc/13/87/10/169138710.db2.gz ZCXNOYOMZKQLNC-MRXNPFEDSA-N 2 0 246.398 2.851 10 0 BFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)C2CC2)CC1 ZINC000035732760 169192073 /nfs/dbraw/zinc/19/20/73/169192073.db2.gz VCROAMVATBMFRS-STQMWFEESA-N 2 0 238.419 2.885 10 0 BFAERP CCC[NH2+]CCC[N@H+](C)Cc1ccc(C)cc1 ZINC000042409429 169256682 /nfs/dbraw/zinc/25/66/82/169256682.db2.gz YIRPQAFEVVKLQT-UHFFFAOYSA-N 2 0 234.387 2.817 10 0 BFAERP CCC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000019913271 169257583 /nfs/dbraw/zinc/25/75/83/169257583.db2.gz PKDQVNLQAQVFDO-UHFFFAOYSA-N 2 0 220.360 2.508 10 0 BFAERP CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000082646687 169286694 /nfs/dbraw/zinc/28/66/94/169286694.db2.gz RDANJHDVDQPYMF-KGLIPLIRSA-N 2 0 226.408 2.743 10 0 BFAERP CCC[NH2+][C@H]1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC000049709074 169291870 /nfs/dbraw/zinc/29/18/70/169291870.db2.gz RBFDYLAROWNTTC-OLZOCXBDSA-N 2 0 224.392 2.782 10 0 BFAERP CCC[NH2+][C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000049710673 169292146 /nfs/dbraw/zinc/29/21/46/169292146.db2.gz HYKRTIHJLXRSQA-ZFWWWQNUSA-N 2 0 238.419 2.887 10 0 BFAERP Cc1csc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000518513970 383974315 /nfs/dbraw/zinc/97/43/15/383974315.db2.gz AENGBGBWDVJCTL-NEPJUHHUSA-N 2 0 238.400 2.534 10 0 BFAERP C[NH+](C)CC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095074251 384350029 /nfs/dbraw/zinc/35/00/29/384350029.db2.gz IOAMZHOLUQIING-MRXNPFEDSA-N 2 0 246.398 2.850 10 0 BFAERP C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000580827667 384453401 /nfs/dbraw/zinc/45/34/01/384453401.db2.gz BYCGEUQXGZIRFF-GDBMZVCRSA-N 2 0 246.398 2.597 10 0 BFAERP CCN1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174821 384467684 /nfs/dbraw/zinc/46/76/84/384467684.db2.gz NPQZDQIRAIFJPU-LBPRGKRZSA-N 2 0 246.345 2.638 10 0 BFAERP c1c2ccccc2sc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398280959 384884172 /nfs/dbraw/zinc/88/41/72/384884172.db2.gz DRQXLHQDUBWMBO-LLVKDONJSA-N 2 0 246.379 2.600 10 0 BFAERP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCC([NH3+])CC2)o1 ZINC000051692965 385258490 /nfs/dbraw/zinc/25/84/90/385258490.db2.gz JHODYCOSGAHIPX-BBCYWQGDSA-N 2 0 248.370 2.763 10 0 BFAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000405346061 385507878 /nfs/dbraw/zinc/50/78/78/385507878.db2.gz GKTGPRSRDYGXQV-HBNTYKKESA-N 2 0 246.345 2.527 10 0 BFAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000405346056 385508068 /nfs/dbraw/zinc/50/80/68/385508068.db2.gz GKTGPRSRDYGXQV-AXFHLTTASA-N 2 0 246.345 2.527 10 0 BFAERP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000309545945 385680010 /nfs/dbraw/zinc/68/00/10/385680010.db2.gz GWKCWKKJUFJDCZ-CYBMUJFWSA-N 2 0 226.408 2.743 10 0 BFAERP C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414804852 386608546 /nfs/dbraw/zinc/60/85/46/386608546.db2.gz PDPCOSHNRAVDNW-XBFCOCLRSA-N 2 0 224.392 2.672 10 0 BFAERP C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1F ZINC000396578393 386780534 /nfs/dbraw/zinc/78/05/34/386780534.db2.gz ODYAKHZCVMQQQK-WDMOLILDSA-N 2 0 236.334 2.617 10 0 BFAERP Cc1ccc(F)c([C@@H]([NH3+])CCC[NH3+])c1Cl ZINC000575438207 387108696 /nfs/dbraw/zinc/10/86/96/387108696.db2.gz DWNKNMGKUDVBMG-VIFPVBQESA-N 2 0 230.714 2.526 10 0 BFAERP [NH3+]CCC[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000575438750 387119077 /nfs/dbraw/zinc/11/90/77/387119077.db2.gz HNHOHUGMSDUHKK-SECBINFHSA-N 2 0 233.142 2.732 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)ccc1Cl ZINC000575438830 387119377 /nfs/dbraw/zinc/11/93/77/387119377.db2.gz CCAKDYUTDKSWFY-LLVKDONJSA-N 2 0 230.714 2.608 10 0 BFAERP Cc1cc(Cl)ccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575439108 387121975 /nfs/dbraw/zinc/12/19/75/387121975.db2.gz PSZZOXIYVQUBSQ-GFCCVEGCSA-N 2 0 226.751 2.777 10 0 BFAERP CC(C)c1cccc([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575439125 387122293 /nfs/dbraw/zinc/12/22/93/387122293.db2.gz PGXCKTQBOXDCJL-AWEZNQCLSA-N 2 0 220.360 2.939 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)cc(Cl)cc1F ZINC000575438429 387129203 /nfs/dbraw/zinc/12/92/03/387129203.db2.gz IWHHFKYSSHNNOI-JTQLQIEISA-N 2 0 248.704 2.747 10 0 BFAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000516450397 387509874 /nfs/dbraw/zinc/50/98/74/387509874.db2.gz KQFGGHFRCDDPCV-ZFWWWQNUSA-N 2 0 236.403 2.855 10 0 BFAERP CC[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cccs1 ZINC000396685346 387481785 /nfs/dbraw/zinc/48/17/85/387481785.db2.gz XXERAUXLXDQRHM-WOPDTQHZSA-N 2 0 238.400 2.929 10 0 BFAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000422749394 387653602 /nfs/dbraw/zinc/65/36/02/387653602.db2.gz YXWAUCKZCBAQAD-UWVGGRQHSA-N 2 0 238.762 2.599 10 0 BFAERP Cc1ccccc1[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615547 387859694 /nfs/dbraw/zinc/85/96/94/387859694.db2.gz JGTYDIHBRVBCEV-KFWWJZLASA-N 2 0 244.382 2.549 10 0 BFAERP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422970195 387818457 /nfs/dbraw/zinc/81/84/57/387818457.db2.gz VTAFTXFBEFAEMI-UUNGTBAKSA-N 2 0 244.382 2.520 10 0 BFAERP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000423214745 387997530 /nfs/dbraw/zinc/99/75/30/387997530.db2.gz NBHHAWQPQVPDGG-IXXDHKBRSA-N 2 0 236.403 2.828 10 0 BFAERP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@H]1CC1(C)C ZINC000397767852 388497425 /nfs/dbraw/zinc/49/74/25/388497425.db2.gz GOAODXZLCKLDIW-UPJWGTAASA-N 2 0 226.408 2.741 10 0 BFAERP CC(C)C(C[NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000229525489 388793548 /nfs/dbraw/zinc/79/35/48/388793548.db2.gz UZNSJIKSUZIYKP-UHFFFAOYSA-N 2 0 226.408 2.774 10 0 BFAERP C[C@@H]([NH2+]CC(C)(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400517283 533354202 /nfs/dbraw/zinc/35/42/02/533354202.db2.gz GLZSQALILQXJRR-ZIAGYGMSSA-N 2 0 246.398 2.552 10 0 BFAERP C[C@@H]([NH2+]CC1(C)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400549043 533354872 /nfs/dbraw/zinc/35/48/72/533354872.db2.gz WWSWFWJGSTYERU-OLZOCXBDSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400343471 533368496 /nfs/dbraw/zinc/36/84/96/533368496.db2.gz IEPDQTSRIXYIKK-TZMCWYRMSA-N 2 0 224.392 2.544 10 0 BFAERP CC[NH+](CC)[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000226861320 134370234 /nfs/dbraw/zinc/37/02/34/134370234.db2.gz LWUAACCWAQBDEE-UONOGXRCSA-N 2 0 226.408 2.837 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858791 134370379 /nfs/dbraw/zinc/37/03/79/134370379.db2.gz SPNCBOUPTILNOT-LSDHHAIUSA-N 2 0 238.419 2.983 10 0 BFAERP CCCN(C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000227552389 134383532 /nfs/dbraw/zinc/38/35/32/134383532.db2.gz HSJMPCBZZBROIO-RBSFLKMASA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693669 135074722 /nfs/dbraw/zinc/07/47/22/135074722.db2.gz HIGOYBITTZSPDV-QPSCCSFWSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000258646614 135133002 /nfs/dbraw/zinc/13/30/02/135133002.db2.gz DEDPAJCHMPQSAP-CQSZACIVSA-N 2 0 232.371 2.554 10 0 BFAERP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262053637 135275694 /nfs/dbraw/zinc/27/56/94/135275694.db2.gz QLAZLZYMMIVHTQ-GJZGRUSLSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517493 398118831 /nfs/dbraw/zinc/11/88/31/398118831.db2.gz GNQXTUZAQKUBIC-BPUTZDHNSA-N 2 0 246.398 2.971 10 0 BFAERP CC(C)C[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000104411453 167003125 /nfs/dbraw/zinc/00/31/25/167003125.db2.gz QYGIRWHSAUWWHQ-UHFFFAOYSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000259026972 322881196 /nfs/dbraw/zinc/88/11/96/322881196.db2.gz ZHOVYKMAKOLQMT-CQSZACIVSA-N 2 0 246.398 2.683 10 0 BFAERP CC(C)C[NH2+]CC[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420951 167004938 /nfs/dbraw/zinc/00/49/38/167004938.db2.gz BNUXTBRAKNBPAZ-ZNMIVQPWSA-N 2 0 240.435 2.989 10 0 BFAERP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000052373248 167006150 /nfs/dbraw/zinc/00/61/50/167006150.db2.gz CKTZOVZSTKSEAH-RRFJBIMHSA-N 2 0 240.435 2.989 10 0 BFAERP CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000036786639 167367486 /nfs/dbraw/zinc/36/74/86/167367486.db2.gz ANZZVRWARWKLOV-LLVKDONJSA-N 2 0 238.350 2.761 10 0 BFAERP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCCc3ccccc32)C1 ZINC000401884591 411168099 /nfs/dbraw/zinc/16/80/99/411168099.db2.gz SHCYALFQCHZXNI-BJJXKVORSA-N 2 0 244.382 2.652 10 0 BFAERP CC1CCC(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000063145755 411343145 /nfs/dbraw/zinc/34/31/45/411343145.db2.gz XSAGVPKPGGNXRG-YIOUJQMASA-N 2 0 224.392 2.624 10 0 BFAERP C[C@H](C[NH2+]CC1CCC(C)CC1)C[NH+](C)C ZINC000336694478 168155384 /nfs/dbraw/zinc/15/53/84/168155384.db2.gz YBWPVSGMCHAHMR-ROKHWSDSSA-N 2 0 226.408 2.600 10 0 BFAERP CC1CCC([N@H+](C)CC[C@H]2CCC[NH2+]2)CC1 ZINC000042488246 168158236 /nfs/dbraw/zinc/15/82/36/168158236.db2.gz NGTCSYDLGZKJDL-ROKHWSDSSA-N 2 0 224.392 2.639 10 0 BFAERP CC1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037156816 168185456 /nfs/dbraw/zinc/18/54/56/168185456.db2.gz NAAHPVUONYRANY-ZIAGYGMSSA-N 2 0 224.392 2.626 10 0 BFAERP CC[NH2+]C(C)(C)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061299708 170107199 /nfs/dbraw/zinc/10/71/99/170107199.db2.gz INONEGAKAOLZCQ-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000034182913 170111811 /nfs/dbraw/zinc/11/18/11/170111811.db2.gz QUHPMBYWLIYMHE-UHFFFAOYSA-N 2 0 246.398 2.898 10 0 BFAERP CC[NH2+]CC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091553 170117207 /nfs/dbraw/zinc/11/72/07/170117207.db2.gz SVLRXLRAGLWNMO-MRXNPFEDSA-N 2 0 246.398 2.898 10 0 BFAERP CC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346135 170122190 /nfs/dbraw/zinc/12/21/90/170122190.db2.gz SWTPGRNVPFIYAV-LBPRGKRZSA-N 2 0 238.350 2.503 10 0 BFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376113 170125325 /nfs/dbraw/zinc/12/53/25/170125325.db2.gz JUYIEURIMHRTEJ-LLVKDONJSA-N 2 0 236.359 2.682 10 0 BFAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H]1CC ZINC000052374954 170129190 /nfs/dbraw/zinc/12/91/90/170129190.db2.gz WSQKVMZBDWHODV-ZDUSSCGKSA-N 2 0 236.359 2.764 10 0 BFAERP CC[NH2+]Cc1sccc1C[NH+]1CCCCC1 ZINC000045205678 170132795 /nfs/dbraw/zinc/13/27/95/170132795.db2.gz MHWMTXMVJBFLQH-UHFFFAOYSA-N 2 0 238.400 2.844 10 0 BFAERP CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1C[NH+]1CCCC1 ZINC000053861064 170153066 /nfs/dbraw/zinc/15/30/66/170153066.db2.gz GPCWXXLTXHXBSR-QLFBSQMISA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H](C)CC[N@H+](C)Cc1ccc(C)cc1 ZINC000061274966 170156899 /nfs/dbraw/zinc/15/68/99/170156899.db2.gz IOPYUHZWNTXEOU-CQSZACIVSA-N 2 0 234.387 2.815 10 0 BFAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053861961 170166426 /nfs/dbraw/zinc/16/64/26/170166426.db2.gz FGPLVNFIIRPPHQ-KGLIPLIRSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709196 170167115 /nfs/dbraw/zinc/16/71/15/170167115.db2.gz YZFSQMAXHQTNAB-OLZOCXBDSA-N 2 0 224.392 2.782 10 0 BFAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104417729 171056323 /nfs/dbraw/zinc/05/63/23/171056323.db2.gz YYDIDRUTKDLJRG-VYDRJRHOSA-N 2 0 238.419 2.728 10 0 BFAERP CC[C@H](C)C[N@H+](C)Cc1cccc(C[NH2+]C)c1 ZINC000052453918 171274206 /nfs/dbraw/zinc/27/42/06/171274206.db2.gz WZAXVFQYFMAHIH-ZDUSSCGKSA-N 2 0 234.387 2.884 10 0 BFAERP CCn1cc[nH+]c1N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000050607957 172228327 /nfs/dbraw/zinc/22/83/27/172228327.db2.gz VERREOGDHIWIJW-LLVKDONJSA-N 2 0 244.342 2.535 10 0 BFAERP C[N@@H+]1CCC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC000044534343 173042769 /nfs/dbraw/zinc/04/27/69/173042769.db2.gz DQXFCADKABGVMQ-MRXNPFEDSA-N 2 0 246.398 2.551 10 0 BFAERP C[NH2+]CC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075964 173358965 /nfs/dbraw/zinc/35/89/65/173358965.db2.gz GXDDFTODYOACGW-OAHLLOKOSA-N 2 0 232.371 2.508 10 0 BFAERP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482426 173373735 /nfs/dbraw/zinc/37/37/35/173373735.db2.gz XUQOUFKTGFKQHL-QLFBSQMISA-N 2 0 238.419 2.885 10 0 BFAERP C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000052377186 173390827 /nfs/dbraw/zinc/39/08/27/173390827.db2.gz PHHNEGXRNFLQOG-UHFFFAOYSA-N 2 0 232.371 2.638 10 0 BFAERP C[NH2+]Cc1coc(C[N@H+](CC(C)C)C(C)C)c1 ZINC000052572615 173393524 /nfs/dbraw/zinc/39/35/24/173393524.db2.gz BTOCOUXEDOVBGN-UHFFFAOYSA-N 2 0 238.375 2.865 10 0 BFAERP C[NH2+]Cc1occc1C[N@H+](C)CC1CCCC1 ZINC000104363703 173399525 /nfs/dbraw/zinc/39/95/25/173399525.db2.gz XUAWLWMFGFYMIW-UHFFFAOYSA-N 2 0 236.359 2.621 10 0 BFAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062615847 176020655 /nfs/dbraw/zinc/02/06/55/176020655.db2.gz KIEUHGIACHLULJ-ZDUSSCGKSA-N 2 0 232.371 2.822 10 0 BFAERP C[C@@H]1CCC[N@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000049819834 176096324 /nfs/dbraw/zinc/09/63/24/176096324.db2.gz HNZCFEWMMIOGTO-CYBMUJFWSA-N 2 0 224.392 2.628 10 0 BFAERP C[C@@H]1CCC[N@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050952294 176097290 /nfs/dbraw/zinc/09/72/90/176097290.db2.gz KHNWNGKEWGPGAU-KGLIPLIRSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000019273871 176099981 /nfs/dbraw/zinc/09/99/81/176099981.db2.gz QUKUPNJEHXMGNN-LLVKDONJSA-N 2 0 236.334 2.516 10 0 BFAERP C[C@@H]1CCC[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000026741652 176134690 /nfs/dbraw/zinc/13/46/90/176134690.db2.gz LHSNIQNSBQTYIU-HUUCEWRRSA-N 2 0 238.419 2.840 10 0 BFAERP C[C@@H]1CCC[C@H]([N@@H+]2CCCNC(C)(C)C2)C1 ZINC000062611795 176140386 /nfs/dbraw/zinc/14/03/86/176140386.db2.gz FJQHSNXHZIQBRL-OLZOCXBDSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000051633934 176180981 /nfs/dbraw/zinc/18/09/81/176180981.db2.gz CRPMMMDPTLXSPB-CZUORRHYSA-N 2 0 244.382 2.748 10 0 BFAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2Cc3ccccc3C2)C1 ZINC000050910475 176223795 /nfs/dbraw/zinc/22/37/95/176223795.db2.gz LKGYLSACGOEOBX-XJKCOSOUSA-N 2 0 244.382 2.766 10 0 BFAERP C[C@@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH3+] ZINC000049694205 176280616 /nfs/dbraw/zinc/28/06/16/176280616.db2.gz DESKPCIAGUFNCR-OMBAJQCTSA-N 2 0 248.414 2.624 10 0 BFAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH+](C)C ZINC000095090642 176306200 /nfs/dbraw/zinc/30/62/00/176306200.db2.gz JCSYAXRFKNHZDK-ZIAGYGMSSA-N 2 0 246.398 2.705 10 0 BFAERP C[C@@H]1C[NH2+]CCC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046701 176324476 /nfs/dbraw/zinc/32/44/76/176324476.db2.gz YRJHIVLILCUTFV-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CC2(C)CCCC2)C1 ZINC000104442363 176328675 /nfs/dbraw/zinc/32/86/75/176328675.db2.gz LSZMLHXDAVBEHI-ZIAGYGMSSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCC2CCCC2)C1 ZINC000049666906 176329444 /nfs/dbraw/zinc/32/94/44/176329444.db2.gz DANFFYROHFOVGT-ZIAGYGMSSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000050566812 177097555 /nfs/dbraw/zinc/09/75/55/177097555.db2.gz RRVFMDLYUOKPCJ-MRFVTOPCSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@H]1CCCN1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000037910436 177112346 /nfs/dbraw/zinc/11/23/46/177112346.db2.gz ZLXXPLOPOCJRPJ-GWCFXTLKSA-N 2 0 238.762 2.824 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000019509237 177116719 /nfs/dbraw/zinc/11/67/19/177116719.db2.gz SICWPDZXVVQOST-TXEJJXNPSA-N 2 0 245.370 2.734 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000034717589 177132686 /nfs/dbraw/zinc/13/26/86/177132686.db2.gz KJJKYOZUOFXPDS-RYUDHWBXSA-N 2 0 245.370 2.734 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000034754766 177132703 /nfs/dbraw/zinc/13/27/03/177132703.db2.gz QMSDCZPYNCALQV-RYUDHWBXSA-N 2 0 245.370 2.734 10 0 BFAERP C[C@H]1CC[NH+](C2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665023 177157617 /nfs/dbraw/zinc/15/76/17/177157617.db2.gz MEBRLIDXNKXWCU-STQMWFEESA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000051633936 177170351 /nfs/dbraw/zinc/17/03/51/177170351.db2.gz CRPMMMDPTLXSPB-XJKSGUPXSA-N 2 0 244.382 2.748 10 0 BFAERP C[C@H]1C[NH2+]CCC[N@@H+](C2CCCCCC2)C1 ZINC000049665845 177281891 /nfs/dbraw/zinc/28/18/91/177281891.db2.gz SUGZZASWVNWRRE-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCCCCC1 ZINC000049707702 177327013 /nfs/dbraw/zinc/32/70/13/177327013.db2.gz BAOHBKTZUAJWCP-STQMWFEESA-N 2 0 224.392 2.911 10 0 BFAERP C[C@H]1C[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000022000384 177363233 /nfs/dbraw/zinc/36/32/33/177363233.db2.gz IGSBHTZEJMPDSZ-JRULLXGZSA-N 2 0 238.419 2.904 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400416514 225224978 /nfs/dbraw/zinc/22/49/78/225224978.db2.gz VKYJPBJCFJIKOY-GUTXKFCHSA-N 2 0 232.371 2.644 10 0 BFAERP Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361180 226341667 /nfs/dbraw/zinc/34/16/67/226341667.db2.gz NRANVGGGAFHGAX-HZSPNIEDSA-N 2 0 232.371 2.644 10 0 BFAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361186 226341749 /nfs/dbraw/zinc/34/17/49/226341749.db2.gz NRANVGGGAFHGAX-MELADBBJSA-N 2 0 232.371 2.644 10 0 BFAERP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400508161 226345433 /nfs/dbraw/zinc/34/54/33/226345433.db2.gz KRMZLOFBGYVVQL-VBNZEHGJSA-N 2 0 244.382 2.725 10 0 BFAERP Cc1cccc([C@@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811635 226351946 /nfs/dbraw/zinc/35/19/46/226351946.db2.gz YOUNPUBBXRHTLW-VNHYZAJKSA-N 2 0 232.371 2.786 10 0 BFAERP CCCC[C@H](CC)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400398482 528913746 /nfs/dbraw/zinc/91/37/46/528913746.db2.gz PDHOQORGOGUVRL-HZSPNIEDSA-N 2 0 226.408 2.790 10 0 BFAERP CC(C)CC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000391123844 323099254 /nfs/dbraw/zinc/09/92/54/323099254.db2.gz KJAZYGDIWQHPMM-CYBMUJFWSA-N 2 0 226.408 2.790 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242687948 519862130 /nfs/dbraw/zinc/86/21/30/519862130.db2.gz VAUFFIPHKXVWES-ZIAGYGMSSA-N 2 0 224.392 2.735 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000252474308 519862506 /nfs/dbraw/zinc/86/25/06/519862506.db2.gz APBZMGNEBUOJKJ-VXGBXAGGSA-N 2 0 212.381 2.637 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH2+]CCC)C[C@H]1C ZINC000249884467 520597364 /nfs/dbraw/zinc/59/73/64/520597364.db2.gz PGZZLYMYRMVGRO-CHWSQXEVSA-N 2 0 212.381 2.639 10 0 BFAERP CCC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCCC1 ZINC000400533706 527753297 /nfs/dbraw/zinc/75/32/97/527753297.db2.gz SKCYZGCHCCCRQT-OLZOCXBDSA-N 2 0 224.392 2.544 10 0 BFAERP CCCC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400455029 528061621 /nfs/dbraw/zinc/06/16/21/528061621.db2.gz PRLYOXNFLJOQIU-OLZOCXBDSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400755177 528100694 /nfs/dbraw/zinc/10/06/94/528100694.db2.gz WUDKVSRQFSKISY-XJKSGUPXSA-N 2 0 246.398 2.898 10 0 BFAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400320225 528652419 /nfs/dbraw/zinc/65/24/19/528652419.db2.gz AWCSXRWOPXPNHZ-XGUBFFRZSA-N 2 0 238.419 2.789 10 0 BFAERP CCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400420639 528927242 /nfs/dbraw/zinc/92/72/42/528927242.db2.gz WSSQMGWTEKGDIU-MCIONIFRSA-N 2 0 226.408 2.933 10 0 BFAERP CC(C)C[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226859102 535133559 /nfs/dbraw/zinc/13/35/59/535133559.db2.gz PWEIUIPUEISWCC-QWHCGFSZSA-N 2 0 226.408 2.741 10 0 BFAERP CC[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000227327586 536092461 /nfs/dbraw/zinc/09/24/61/536092461.db2.gz IUGKDUMMUNYCRN-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000258643242 536178819 /nfs/dbraw/zinc/17/88/19/536178819.db2.gz DAOZMOTXISOOSF-OAHLLOKOSA-N 2 0 246.398 2.808 10 0 BFAERP C[N@H+](C1CCCCC1)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675052895 566412024 /nfs/dbraw/zinc/41/20/24/566412024.db2.gz BXYTUQCTSFCWET-GXTWGEPZSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127966 582503170 /nfs/dbraw/zinc/50/31/70/582503170.db2.gz IHQYRYLFBZHNDC-GZBFAFLISA-N 2 0 236.403 2.639 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127948 582503276 /nfs/dbraw/zinc/50/32/76/582503276.db2.gz IHQYRYLFBZHNDC-GUTXKFCHSA-N 2 0 236.403 2.639 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757128322 582503326 /nfs/dbraw/zinc/50/33/26/582503326.db2.gz KLJCPSIQLQSELS-ZIAGYGMSSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCC1CCC1 ZINC000757129388 582504159 /nfs/dbraw/zinc/50/41/59/582504159.db2.gz LGKZCQLUWQUAMC-DZGCQCFKSA-N 2 0 236.403 2.783 10 0 BFAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757129172 586426494 /nfs/dbraw/zinc/42/64/94/586426494.db2.gz KVPVSJYEQRWNOB-MCIONIFRSA-N 2 0 224.392 2.637 10 0 BFAERP C[C@@H]1C[C@H](C)[NH2+][C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757211843 586438783 /nfs/dbraw/zinc/43/87/83/586438783.db2.gz IWSUHPRSQFBFFN-SUNKGSAMSA-N 2 0 218.344 2.594 10 0 BFAERP C[C@@H]1C[C@@H](C)[NH2+][C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757220847 586442682 /nfs/dbraw/zinc/44/26/82/586442682.db2.gz ZQLNREFDEYJFBU-JTNHKYCSSA-N 2 0 218.344 2.594 10 0 BFAERP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1c1cscc1C(F)F ZINC000757231607 586443368 /nfs/dbraw/zinc/44/33/68/586443368.db2.gz IAFFSOGVFKVTAL-XVKPBYJWSA-N 2 0 246.326 2.685 10 0 BFAERP [NH3+]C[C@H]1CCC[NH2+][C@@H]1c1cscc1C(F)F ZINC000757231584 586443384 /nfs/dbraw/zinc/44/33/84/586443384.db2.gz IAFFSOGVFKVTAL-XCBNKYQSSA-N 2 0 246.326 2.685 10 0 BFAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000084217548 644419698 /nfs/dbraw/zinc/41/96/98/644419698.db2.gz RVXBCNOONLEFSA-OCCSQVGLSA-N 2 0 224.392 2.816 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000714758751 712497636 /nfs/dbraw/zinc/49/76/36/712497636.db2.gz VTQPONVNOLHVSX-CHWSQXEVSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@H](CN1CCC[C@H]2C[NH2+]CC[C@@H]21)C(C)(C)C ZINC000715025899 712504299 /nfs/dbraw/zinc/50/42/99/712504299.db2.gz YNEPKCHQUZMAOK-RDBSUJKOSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@]12C[C@H]1CCCC2 ZINC000708865606 712201212 /nfs/dbraw/zinc/20/12/12/712201212.db2.gz JWFWNQLXKZSWJB-YJNKXOJESA-N 2 0 236.403 2.687 10 0 BFAERP C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000712359534 712402942 /nfs/dbraw/zinc/40/29/42/712402942.db2.gz HJKNNVGYAYXKEM-YYFQZIEXSA-N 2 0 236.403 2.543 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H](C)C2CCCC2)CC1 ZINC000714752923 712497434 /nfs/dbraw/zinc/49/74/34/712497434.db2.gz FMVRAUOPJPGOCN-GFCCVEGCSA-N 2 0 224.392 2.768 10 0 BFAERP CCCC[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754036 712497565 /nfs/dbraw/zinc/49/75/65/712497565.db2.gz OUPQMHQIESUTEW-GFCCVEGCSA-N 2 0 212.381 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC000714757234 712497910 /nfs/dbraw/zinc/49/79/10/712497910.db2.gz HMNJZOYMNFNALB-UHFFFAOYSA-N 2 0 236.403 2.913 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H](C2CC2)C2CCC2)CC1 ZINC000714760178 712498281 /nfs/dbraw/zinc/49/82/81/712498281.db2.gz WEJOUAVEVVYOJN-CQSZACIVSA-N 2 0 236.403 2.768 10 0 BFAERP CC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000685955069 538900270 /nfs/dbraw/zinc/90/02/70/538900270.db2.gz RWDCVWBVCJJKQE-ROKHWSDSSA-N 2 0 224.392 2.624 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955280 538900642 /nfs/dbraw/zinc/90/06/42/538900642.db2.gz XEFHJHVSJYSVAI-GFCCVEGCSA-N 2 0 224.392 2.768 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685952678 538896763 /nfs/dbraw/zinc/89/67/63/538896763.db2.gz BYJIOXRQMVALQH-RFQIPJPRSA-N 2 0 224.392 2.624 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])C12C[C@@H](C)C[C@H](C)C2 ZINC000685952675 538896865 /nfs/dbraw/zinc/89/68/65/538896865.db2.gz BYJIOXRQMVALQH-AVGNSLFASA-N 2 0 224.392 2.624 10 0 BFAERP CCC(CC)(C[NH2+]C1CCC([NH3+])CC1)SC ZINC000232860743 168325252 /nfs/dbraw/zinc/32/52/52/168325252.db2.gz PEUKFYITBRAEGI-UHFFFAOYSA-N 2 0 244.448 2.768 10 0 BFAERP Cc1cc(N(C)C[C@@H](C)C[NH3+])c2ccccc2[nH+]1 ZINC000042455716 178098953 /nfs/dbraw/zinc/09/89/53/178098953.db2.gz VILLWDXYVGNTPS-NSHDSACASA-N 2 0 243.354 2.574 10 0 BFAERP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000576528138 365619337 /nfs/dbraw/zinc/61/93/37/365619337.db2.gz DTRUQMREIWDPFO-DZGCQCFKSA-N 2 0 238.419 2.935 10 0 BFAERP CCN1C[C@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000381706640 539005815 /nfs/dbraw/zinc/00/58/15/539005815.db2.gz JKBMNBWFKUGYMY-HZSPNIEDSA-N 2 0 226.408 2.598 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400423014 529666523 /nfs/dbraw/zinc/66/65/23/529666523.db2.gz XRBJMJHXBIMSRY-YUELXQCFSA-N 2 0 232.371 2.725 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400423012 529666608 /nfs/dbraw/zinc/66/66/08/529666608.db2.gz XRBJMJHXBIMSRY-SNPRPXQTSA-N 2 0 232.371 2.725 10 0 BFAERP CC(C)[NH2+][C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000070585014 136278527 /nfs/dbraw/zinc/27/85/27/136278527.db2.gz YGJFQVPMSZKXRM-CYBMUJFWSA-N 2 0 224.392 2.782 10 0 BFAERP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258723886 136373833 /nfs/dbraw/zinc/37/38/33/136373833.db2.gz IPOGTYAEBLTHSU-OAHLLOKOSA-N 2 0 246.398 2.863 10 0 BFAERP CCC1(CC)CC[NH+](CCCCC(N)=[NH2+])CC1 ZINC000062954363 168457231 /nfs/dbraw/zinc/45/72/31/168457231.db2.gz OWHNJNIMFBTOJH-UHFFFAOYSA-N 2 0 239.407 2.995 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858179 534958866 /nfs/dbraw/zinc/95/88/66/534958866.db2.gz XOMLVCHCRRGORR-KBPBESRZSA-N 2 0 224.392 2.593 10 0 BFAERP CCC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635020831 345223406 /nfs/dbraw/zinc/22/34/06/345223406.db2.gz MKRYVSONZKWAMX-QWHCGFSZSA-N 2 0 226.408 2.790 10 0 BFAERP CCC1CC[NH+](C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503256 168529400 /nfs/dbraw/zinc/52/94/00/168529400.db2.gz LUSNSEYMTFUHSL-ZIAGYGMSSA-N 2 0 224.392 2.626 10 0 BFAERP CC(C)=CC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000236730634 192089618 /nfs/dbraw/zinc/08/96/18/192089618.db2.gz DSMIDILHBXSMQH-UHFFFAOYSA-N 2 0 224.392 2.851 10 0 BFAERP CC(C)(C[NH3+])c1ccc(C[NH+]2CCCC2)cc1 ZINC000143587131 345865943 /nfs/dbraw/zinc/86/59/43/345865943.db2.gz SIVJJSMEYQFYOE-UHFFFAOYSA-N 2 0 232.371 2.519 10 0 BFAERP Cc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C(C)C)C2)c1 ZINC000062622395 179074935 /nfs/dbraw/zinc/07/49/35/179074935.db2.gz QEBHXPWVYZMFQL-MRXNPFEDSA-N 2 0 246.398 2.815 10 0 BFAERP Cc1cccc(C[NH+]2C[C@@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049666843 179082050 /nfs/dbraw/zinc/08/20/50/179082050.db2.gz SDLGIUUZUKNGPW-GJZGRUSLSA-N 2 0 246.398 2.672 10 0 BFAERP Cc1cccc(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000052205624 179092249 /nfs/dbraw/zinc/09/22/49/179092249.db2.gz CSWWBPWCVSEWQH-INIZCTEOSA-N 2 0 246.398 2.959 10 0 BFAERP Cc1cccc(C[NH2+]CC[C@H]2CCCC[N@H+]2C)c1 ZINC000052205626 179092635 /nfs/dbraw/zinc/09/26/35/179092635.db2.gz CSWWBPWCVSEWQH-MRXNPFEDSA-N 2 0 246.398 2.959 10 0 BFAERP C[C@H]([NH2+]CC1(C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000580181418 346616820 /nfs/dbraw/zinc/61/68/20/346616820.db2.gz RIIJJNXZRCIWNZ-QWHCGFSZSA-N 2 0 224.392 2.544 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000358390566 179197743 /nfs/dbraw/zinc/19/77/43/179197743.db2.gz DSUYTFAGMHNIMD-YDHLFZDLSA-N 2 0 232.371 2.596 10 0 BFAERP Cc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036127801 179268810 /nfs/dbraw/zinc/26/88/10/179268810.db2.gz QDNPXXFVVLHUEJ-GDBMZVCRSA-N 2 0 246.398 2.944 10 0 BFAERP Cc1ccccc1C[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049666753 179276279 /nfs/dbraw/zinc/27/62/79/179276279.db2.gz AAVJGIVBNYAAKF-GJZGRUSLSA-N 2 0 246.398 2.957 10 0 BFAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219631201 350134727 /nfs/dbraw/zinc/13/47/27/350134727.db2.gz GABDHTSDPPJYAT-UONOGXRCSA-N 2 0 232.371 2.507 10 0 BFAERP [NH3+]CCc1ccc(C2CCC3(C[C@@H]3[NH3+])CC2)cc1 ZINC000725265139 538092716 /nfs/dbraw/zinc/09/27/16/538092716.db2.gz JCYZUAMTLMUYSY-PCKAHOCUSA-N 2 0 244.382 2.563 10 0 BFAERP c1coc([C@H]2CCCN2CCC[NH+]2CCCC2)c1 ZINC000163038807 350496323 /nfs/dbraw/zinc/49/63/23/350496323.db2.gz WHISXOYLRJWXBD-CQSZACIVSA-N 2 0 248.370 2.902 10 0 BFAERP CC(C)(C)[N@@H+]1CCCC[C@H](c2ccnc(N)c2)C1 ZINC000616603818 350795798 /nfs/dbraw/zinc/79/57/98/350795798.db2.gz IPLPCDDPKPPARC-ZDUSSCGKSA-N 2 0 247.386 2.862 10 0 BFAERP C[N@H+](Cc1ccccc1)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270796 538102631 /nfs/dbraw/zinc/10/26/31/538102631.db2.gz UAAHMOICEVLKDT-HWOWSKLDSA-N 2 0 244.382 2.778 10 0 BFAERP CCCCC[N@H+](CC[C@H](C[NH3+])OCC)C(C)C ZINC000062741141 168693294 /nfs/dbraw/zinc/69/32/94/168693294.db2.gz JATNCHDJFQTJMU-CQSZACIVSA-N 2 0 244.423 2.641 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC000049713006 188125818 /nfs/dbraw/zinc/12/58/18/188125818.db2.gz NFXPAXWPOXDIQR-DZGCQCFKSA-N 2 0 232.371 2.567 10 0 BFAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000052381539 188126311 /nfs/dbraw/zinc/12/63/11/188126311.db2.gz RSYSYDZTFDSBCB-CYBMUJFWSA-N 2 0 232.371 2.638 10 0 BFAERP CC(C)[C@H]([NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000096964435 188223662 /nfs/dbraw/zinc/22/36/62/188223662.db2.gz VTIGEDNPMCAMGV-INIZCTEOSA-N 2 0 246.398 2.882 10 0 BFAERP C[C@@H]1C[NH2+]C[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096985064 188224270 /nfs/dbraw/zinc/22/42/70/188224270.db2.gz XZJQKOZNXFMHON-ZBFHGGJFSA-N 2 0 244.382 2.508 10 0 BFAERP C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000052381830 188482343 /nfs/dbraw/zinc/48/23/43/188482343.db2.gz WOQNJOXLTNMMIW-UHFFFAOYSA-N 2 0 232.371 2.782 10 0 BFAERP CCN1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000040502041 358493180 /nfs/dbraw/zinc/49/31/80/358493180.db2.gz ZFSMJJUDDVODKR-HNNXBMFYSA-N 2 0 232.371 2.569 10 0 BFAERP CCN1CC[C@H]([NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000389267463 355943745 /nfs/dbraw/zinc/94/37/45/355943745.db2.gz QDCJBZJWKRRLTK-YUELXQCFSA-N 2 0 236.403 2.663 10 0 BFAERP Cc1cc(NCC[C@@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000063171616 357552868 /nfs/dbraw/zinc/55/28/68/357552868.db2.gz BKMQHBPYCIVIBG-SNVBAGLBSA-N 2 0 229.327 2.692 10 0 BFAERP CC(C)=CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000188444329 357554156 /nfs/dbraw/zinc/55/41/56/357554156.db2.gz JFNHXEHZVXEFJW-UHFFFAOYSA-N 2 0 236.403 2.949 10 0 BFAERP CC[C@@H]1CC[C@@H](CC[NH+]2CCCC2)[N@H+](C)C1 ZINC000584652210 358307117 /nfs/dbraw/zinc/30/71/17/358307117.db2.gz QQUFBQNUZZCFGO-KGLIPLIRSA-N 2 0 224.392 2.593 10 0 BFAERP CC[N@H+](CCCCCC[NH3+])Cc1ccco1 ZINC000042445981 358349214 /nfs/dbraw/zinc/34/92/14/358349214.db2.gz XGLVYEUYICEZQY-UHFFFAOYSA-N 2 0 224.348 2.621 10 0 BFAERP CCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000578497629 366580057 /nfs/dbraw/zinc/58/00/57/366580057.db2.gz PRFMLRCJXMKYIP-CHWSQXEVSA-N 2 0 224.392 2.544 10 0 BFAERP [NH3+]C1CCC([N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000055144678 181341060 /nfs/dbraw/zinc/34/10/60/181341060.db2.gz NEGANWJWLIRYBE-QQFBHYJXSA-N 2 0 244.382 2.746 10 0 BFAERP [NH3+]CC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000038343309 181364816 /nfs/dbraw/zinc/36/48/16/181364816.db2.gz XMVIXYGGJZSVIC-MQVJKMGUSA-N 2 0 244.382 2.778 10 0 BFAERP C[C@H]([NH2+]C[C@H]1CCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000573711432 364897875 /nfs/dbraw/zinc/89/78/75/364897875.db2.gz SKSXINQMEGSOKH-MELADBBJSA-N 2 0 238.419 2.790 10 0 BFAERP CC[C@@H]([NH2+][C@@H]1CCN(CC)C1)C1CCCC1 ZINC000382808285 367559189 /nfs/dbraw/zinc/55/91/89/367559189.db2.gz HHKMVFJGXVNBFD-ZIAGYGMSSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581661302 367662519 /nfs/dbraw/zinc/66/25/19/367662519.db2.gz KOVZJDLXWJDAPW-SYQHCUMBSA-N 2 0 224.392 2.543 10 0 BFAERP CC(C)(C[NH2+][C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000384987619 367769583 /nfs/dbraw/zinc/76/95/83/367769583.db2.gz SGVRQUNZKUWFBR-CYBMUJFWSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567639655 326236777 /nfs/dbraw/zinc/23/67/77/326236777.db2.gz GIMJQMBYOPRKKV-VXGBXAGGSA-N 2 0 238.419 2.646 10 0 BFAERP CC[C@H](C)[C@H](CN(C)Cc1ccccc1)[NH2+]C ZINC000132306646 371791359 /nfs/dbraw/zinc/79/13/59/371791359.db2.gz ILIVLFKRENXGTA-ZFWWWQNUSA-N 2 0 234.387 2.753 10 0 BFAERP CC[C@H](C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C ZINC000132306216 371791941 /nfs/dbraw/zinc/79/19/41/371791941.db2.gz ILIVLFKRENXGTA-DZGCQCFKSA-N 2 0 234.387 2.753 10 0 BFAERP CCC[N@H+](C[C@H](C[NH3+])c1ccccc1)CC1CC1 ZINC000035731463 169138448 /nfs/dbraw/zinc/13/84/48/169138448.db2.gz ZCXNOYOMZKQLNC-INIZCTEOSA-N 2 0 246.398 2.851 10 0 BFAERP CCC[NH+](CCC)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058081472 169148447 /nfs/dbraw/zinc/14/84/47/169148447.db2.gz LDCOPOIAQOLDIC-STQMWFEESA-N 2 0 212.381 2.626 10 0 BFAERP CCC[NH+](CCC)C[C@H]1CCCC[C@H]1[NH3+] ZINC000058081490 169148668 /nfs/dbraw/zinc/14/86/68/169148668.db2.gz LDCOPOIAQOLDIC-CHWSQXEVSA-N 2 0 212.381 2.626 10 0 BFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC000037222299 169191152 /nfs/dbraw/zinc/19/11/52/169191152.db2.gz CJDDXFZDRZFRDE-ZDUSSCGKSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000054603356 169255585 /nfs/dbraw/zinc/25/55/85/169255585.db2.gz RTRCWEXZAJJYMQ-LQDVMPOASA-N 2 0 236.403 2.924 10 0 BFAERP CCC[NH2+]CCC[N@H+](CC)Cc1ccccc1 ZINC000042409462 169256733 /nfs/dbraw/zinc/25/67/33/169256733.db2.gz BOMSLHOCGFLSIV-UHFFFAOYSA-N 2 0 234.387 2.898 10 0 BFAERP CCC[NH2+]Cc1oc(C[NH+](CC)CC)cc1C ZINC000052378447 169268764 /nfs/dbraw/zinc/26/87/64/169268764.db2.gz LZWNSRWDDJMZTP-UHFFFAOYSA-N 2 0 238.375 2.929 10 0 BFAERP CCC[NH2+]Cc1oc(C[N@H+](C)C(C)C)cc1C ZINC000052419733 169268836 /nfs/dbraw/zinc/26/88/36/169268836.db2.gz WCABUFJDOCWBGY-UHFFFAOYSA-N 2 0 238.375 2.928 10 0 BFAERP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096985036 183399234 /nfs/dbraw/zinc/39/92/34/183399234.db2.gz CSSSWROORKPTQD-HZPDHXFCSA-N 2 0 244.382 2.651 10 0 BFAERP CCC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000049710672 169281602 /nfs/dbraw/zinc/28/16/02/169281602.db2.gz HYKRTIHJLXRSQA-DZGCQCFKSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000061484484 169290854 /nfs/dbraw/zinc/29/08/54/169290854.db2.gz PXKCOKFCROHHQQ-CABCVRRESA-N 2 0 238.419 2.887 10 0 BFAERP CCC[C@@H](C)[NH2+]CCN(CCOC)[C@@H](C)CC ZINC000053440229 169369791 /nfs/dbraw/zinc/36/97/91/169369791.db2.gz MFSJGMJSXNQTPA-KGLIPLIRSA-N 2 0 244.423 2.512 10 0 BFAERP CCC[C@@H]([NH3+])[C@H](CC)N(CC)Cc1ccncc1 ZINC000042515699 169392758 /nfs/dbraw/zinc/39/27/58/169392758.db2.gz QHDUIPVQFZJELG-CABCVRRESA-N 2 0 249.402 2.810 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858554 134370465 /nfs/dbraw/zinc/37/04/65/134370465.db2.gz GMBFJAQVPZEBLM-QWHCGFSZSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@H](C[C@@H](C[NH3+])[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591123 384001938 /nfs/dbraw/zinc/00/19/38/384001938.db2.gz XPOCUETWGWPYKX-KBMXLJTQSA-N 2 0 246.398 2.897 10 0 BFAERP CC[C@@H](C)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086730707 384679541 /nfs/dbraw/zinc/67/95/41/384679541.db2.gz QSDZJKYGUBLPHG-OKZRHMCRSA-N 2 0 212.381 2.671 10 0 BFAERP C[NH+](C)CCC[N@@H+]1CCC2(C1)CCCCCC2 ZINC000026740868 384792734 /nfs/dbraw/zinc/79/27/34/384792734.db2.gz SCTOANJRNYKYEU-UHFFFAOYSA-N 2 0 238.419 2.984 10 0 BFAERP C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000335213548 384861218 /nfs/dbraw/zinc/86/12/18/384861218.db2.gz CYKZCZMSRXKEDC-VXGBXAGGSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@H]1CC[NH2+]C1 ZINC000335213546 384863458 /nfs/dbraw/zinc/86/34/58/384863458.db2.gz CYKZCZMSRXKEDC-RYUDHWBXSA-N 2 0 224.392 2.543 10 0 BFAERP CC(C)CC[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000365179500 384907559 /nfs/dbraw/zinc/90/75/59/384907559.db2.gz XCJQECDUNBCNCN-ZDUSSCGKSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000258724795 384940196 /nfs/dbraw/zinc/94/01/96/384940196.db2.gz JEVBVXMWZIFRQK-MRVPVSSYSA-N 2 0 247.169 2.820 10 0 BFAERP C[C@@H](CCCC[NH3+])Nc1ccncc1Cl ZINC000308828439 385199033 /nfs/dbraw/zinc/19/90/33/385199033.db2.gz IPXOAADMQVXSPG-VIFPVBQESA-N 2 0 227.739 2.664 10 0 BFAERP [NH3+]C[C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625256 385175153 /nfs/dbraw/zinc/17/51/53/385175153.db2.gz AFHIMDPHXZNRAO-HOTGVXAUSA-N 2 0 244.382 2.638 10 0 BFAERP CC1CCC(C)(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000335021247 385980790 /nfs/dbraw/zinc/98/07/90/385980790.db2.gz GHDLRNNGUQXAOQ-UHFFFAOYSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)[C@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575561936 386025644 /nfs/dbraw/zinc/02/56/44/386025644.db2.gz XBTFVRGKTNACEL-UKRRQHHQSA-N 2 0 232.371 2.634 10 0 BFAERP C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000519596624 386497763 /nfs/dbraw/zinc/49/77/63/386497763.db2.gz UBEPZBHOXNXTIL-FQUUOJAGSA-N 2 0 224.392 2.543 10 0 BFAERP c1ccc([C@@H]2CCCCN2[C@H]2CC[NH2+]C2)cc1 ZINC000575332130 386682277 /nfs/dbraw/zinc/68/22/77/386682277.db2.gz QQVJBDKBHYPDFV-GJZGRUSLSA-N 2 0 230.355 2.576 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000575438875 387118881 /nfs/dbraw/zinc/11/88/81/387118881.db2.gz DUDJFBOFJKLYKX-LLVKDONJSA-N 2 0 230.714 2.608 10 0 BFAERP Cc1ccc(Cl)c([C@H]([NH3+])CCCC[NH3+])c1F ZINC000575439038 387122038 /nfs/dbraw/zinc/12/20/38/387122038.db2.gz OSVVMRLYRIJOOZ-SNVBAGLBSA-N 2 0 244.741 2.916 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)ccc1Cl ZINC000575439507 387123833 /nfs/dbraw/zinc/12/38/33/387123833.db2.gz CCAKDYUTDKSWFY-NSHDSACASA-N 2 0 230.714 2.608 10 0 BFAERP [NH3+]CCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000575439495 387124602 /nfs/dbraw/zinc/12/46/02/387124602.db2.gz BCNBBDKDZXZRDX-JTQLQIEISA-N 2 0 233.142 2.732 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000575440338 387124615 /nfs/dbraw/zinc/12/46/15/387124615.db2.gz OQNYVASLKVUYNZ-NSHDSACASA-N 2 0 230.714 2.608 10 0 BFAERP Cc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572464087 387514939 /nfs/dbraw/zinc/51/49/39/387514939.db2.gz FVRLWDMVPAODMA-HOCLYGCPSA-N 2 0 246.398 2.515 10 0 BFAERP Cc1ccccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572464088 387516149 /nfs/dbraw/zinc/51/61/49/387516149.db2.gz FVRLWDMVPAODMA-ZBFHGGJFSA-N 2 0 246.398 2.515 10 0 BFAERP CC[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cccs1 ZINC000396685343 387482774 /nfs/dbraw/zinc/48/27/74/387482774.db2.gz XXERAUXLXDQRHM-GRYCIOLGSA-N 2 0 238.400 2.929 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422711013 387625938 /nfs/dbraw/zinc/62/59/38/387625938.db2.gz MPFRJYDIMJWYFW-OLZOCXBDSA-N 2 0 232.371 2.562 10 0 BFAERP C[C@H]([NH2+]CCCC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000422846871 387735071 /nfs/dbraw/zinc/73/50/71/387735071.db2.gz QNSDRKBWWPCICL-DZGCQCFKSA-N 2 0 238.419 2.935 10 0 BFAERP C1CC1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000423206712 387991466 /nfs/dbraw/zinc/99/14/66/387991466.db2.gz CRFMOPPVUCUBIH-QXULXFAOSA-N 2 0 248.414 2.828 10 0 BFAERP CCC1CCC([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400533081 388009016 /nfs/dbraw/zinc/00/90/16/388009016.db2.gz SFISQNSPMNPPLX-NELGMTEASA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000643492778 388091714 /nfs/dbraw/zinc/09/17/14/388091714.db2.gz CYKDVBXPNMBJSU-QWHCGFSZSA-N 2 0 238.419 2.790 10 0 BFAERP Cc1ccc2[nH+]ccc(N[C@@H]3CCC[NH2+]C3)c2c1 ZINC000073738644 388461420 /nfs/dbraw/zinc/46/14/20/388461420.db2.gz MSYZKRYEDMCIHZ-GFCCVEGCSA-N 2 0 241.338 2.707 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310371762 388481740 /nfs/dbraw/zinc/48/17/40/388481740.db2.gz OAXDKKASRDJYBY-APIJFGDWSA-N 2 0 238.419 2.872 10 0 BFAERP CCC[C@H](C1CCC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000322300392 388430130 /nfs/dbraw/zinc/43/01/30/388430130.db2.gz UNUVIIFIMQFYAQ-BPLDGKMQSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000310947182 388491085 /nfs/dbraw/zinc/49/10/85/388491085.db2.gz XYLVGIVJXJOONV-DAXOMENPSA-N 2 0 244.382 2.591 10 0 BFAERP C[C@H]([NH2+]CC[C@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000530217498 388630851 /nfs/dbraw/zinc/63/08/51/388630851.db2.gz BSQCNNAUEJJUPB-KKUMJFAQSA-N 2 0 236.403 2.711 10 0 BFAERP CCc1nccn1[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000179572737 134321855 /nfs/dbraw/zinc/32/18/55/134321855.db2.gz VAVHYMUTRDLGMI-ZDUSSCGKSA-N 2 0 233.359 2.635 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000222015466 134329428 /nfs/dbraw/zinc/32/94/28/134329428.db2.gz DDSFIJGMNBRCKF-CBBWQLFWSA-N 2 0 238.419 2.885 10 0 BFAERP CC(C)C[NH2+][C@@H]1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000226859298 134370530 /nfs/dbraw/zinc/37/05/30/134370530.db2.gz RPYGRNVBGBBXJN-UONOGXRCSA-N 2 0 226.408 2.598 10 0 BFAERP CC1(C)C[N@H+](CCC2CCCC2)CC[C@H]1[NH3+] ZINC000261583821 135225217 /nfs/dbraw/zinc/22/52/17/135225217.db2.gz PGLFEYXOJUKWLY-CYBMUJFWSA-N 2 0 224.392 2.626 10 0 BFAERP CC[NH+](CC)CCC[C@@H](C)N1CCCCC1=[NH2+] ZINC000049583966 169775673 /nfs/dbraw/zinc/77/56/73/169775673.db2.gz JKDZUDDYWKJISB-CYBMUJFWSA-N 2 0 239.407 2.960 10 0 BFAERP CC(C)C[NH2+]CC[C@H](C)N(C)Cc1cccnc1 ZINC000052479571 167004214 /nfs/dbraw/zinc/00/42/14/167004214.db2.gz HMCHRYTWQHMTEP-AWEZNQCLSA-N 2 0 249.402 2.538 10 0 BFAERP CC(C)[NH2+]CCC1C[NH+](Cc2ccccc2)C1 ZINC000095088504 167099823 /nfs/dbraw/zinc/09/98/23/167099823.db2.gz CZNMTCYKJKXFDM-UHFFFAOYSA-N 2 0 232.371 2.507 10 0 BFAERP CC(C)[NH2+]Cc1sccc1C[NH+]1CCCC1 ZINC000045205673 167123294 /nfs/dbraw/zinc/12/32/94/167123294.db2.gz KAUHEBNYFYLCIE-UHFFFAOYSA-N 2 0 238.400 2.842 10 0 BFAERP CC(C)[NH2+][C@@]1(CN)C[C@@H](C)CC(C)(C)C1 ZINC000050270738 167136925 /nfs/dbraw/zinc/13/69/25/167136925.db2.gz LBMCDAUGNPYZPN-AAEUAGOBSA-N 2 0 212.381 2.528 10 0 BFAERP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000300087630 411080450 /nfs/dbraw/zinc/08/04/50/411080450.db2.gz NBVZGBWNORTUPF-QLFBSQMISA-N 2 0 246.398 2.952 10 0 BFAERP Cc1cc(C)c([C@H](C)[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000300087628 411081012 /nfs/dbraw/zinc/08/10/12/411081012.db2.gz NBVZGBWNORTUPF-KKUMJFAQSA-N 2 0 246.398 2.952 10 0 BFAERP CC1CCC([N@H+](C)Cc2occc2C[NH3+])CC1 ZINC000052345382 168160018 /nfs/dbraw/zinc/16/00/18/168160018.db2.gz ZMEBXOFSOOEMDH-UHFFFAOYSA-N 2 0 236.359 2.749 10 0 BFAERP CC1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037156818 168188104 /nfs/dbraw/zinc/18/81/04/168188104.db2.gz NAAHPVUONYRANY-KGLIPLIRSA-N 2 0 224.392 2.626 10 0 BFAERP CC[C@@H]1C[N@H+](CC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000122400962 411431298 /nfs/dbraw/zinc/43/12/98/411431298.db2.gz GXYDKNPIFZMQMD-CVSAEHQPSA-N 2 0 238.419 2.872 10 0 BFAERP CC[C@H]1C[N@H+](CC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000122401200 411432093 /nfs/dbraw/zinc/43/20/93/411432093.db2.gz GXYDKNPIFZMQMD-WUCCLRPBSA-N 2 0 238.419 2.872 10 0 BFAERP CC[NH2+]CCCNc1cc(C)[nH+]c2ccccc12 ZINC000038043427 170112911 /nfs/dbraw/zinc/11/29/11/170112911.db2.gz INGMNIXOZCRVRN-UHFFFAOYSA-N 2 0 243.354 2.955 10 0 BFAERP CC[NH2+]CC[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000052346066 170116474 /nfs/dbraw/zinc/11/64/74/170116474.db2.gz BQCJTCFWWZKYKW-CQSZACIVSA-N 2 0 234.387 2.815 10 0 BFAERP CC[NH2+]C[C@@](C)(C[NH+](CC)CC)c1ccccc1 ZINC000051208633 170121061 /nfs/dbraw/zinc/12/10/61/170121061.db2.gz GJFZICNNPGVWLR-INIZCTEOSA-N 2 0 248.414 2.896 10 0 BFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376111 170125748 /nfs/dbraw/zinc/12/57/48/170125748.db2.gz JUYIEURIMHRTEJ-NSHDSACASA-N 2 0 236.359 2.682 10 0 BFAERP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000052543886 170126626 /nfs/dbraw/zinc/12/66/26/170126626.db2.gz GCAKHCFCLKEYGH-JKSUJKDBSA-N 2 0 244.382 2.780 10 0 BFAERP CC[NH2+]Cc1oc(C[N@H+](CC)C(C)C)cc1C ZINC000052447144 170132107 /nfs/dbraw/zinc/13/21/07/170132107.db2.gz VLCWZEQKYFTNCJ-UHFFFAOYSA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1C[NH+]1CCCC1 ZINC000053861065 170154416 /nfs/dbraw/zinc/15/44/16/170154416.db2.gz GPCWXXLTXHXBSR-SOUVJXGZSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC000053870081 170166194 /nfs/dbraw/zinc/16/61/94/170166194.db2.gz AVFICXIWBNALKF-CABCVRRESA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@@H]1CC[N@@H+](C(C)(C)CC)C[C@H](C)C[NH2+]1 ZINC000049664987 171007966 /nfs/dbraw/zinc/00/79/66/171007966.db2.gz FDVSCZKEUSIRQF-CHWSQXEVSA-N 2 0 226.408 2.885 10 0 BFAERP CC[C@@](C)(C[NH3+])C[N@H+](C)Cc1ccccc1C ZINC000051256391 171167082 /nfs/dbraw/zinc/16/70/82/171167082.db2.gz ODJCXQCCWSXGLK-HNNXBMFYSA-N 2 0 234.387 2.802 10 0 BFAERP CC[C@@](C)(C[NH2+]C1CC1)C[NH+]1CCC(C)CC1 ZINC000051207969 171167097 /nfs/dbraw/zinc/16/70/97/171167097.db2.gz RUNCHXCKRFKNQA-HNNXBMFYSA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@@](C)(C[NH3+])C[N@H+](C)Cc1ccc(C)cc1 ZINC000051214086 171167316 /nfs/dbraw/zinc/16/73/16/171167316.db2.gz SCOXTRMRQHBWGU-HNNXBMFYSA-N 2 0 234.387 2.802 10 0 BFAERP CC[C@H](C)[N@H+](C)[C@@H](CN)c1ccc(F)c(C)c1 ZINC000050546010 171309867 /nfs/dbraw/zinc/30/98/67/171309867.db2.gz GMJTVPKOEJCQHW-FZMZJTMJSA-N 2 0 238.350 2.864 10 0 BFAERP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665236371 412175953 /nfs/dbraw/zinc/17/59/53/412175953.db2.gz LKLBYPVRIXMUOL-RWMBFGLXSA-N 2 0 226.408 2.789 10 0 BFAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1(C)CCCC1 ZINC000052205846 173004976 /nfs/dbraw/zinc/00/49/76/173004976.db2.gz NVRLLMMEHZTIPR-CYBMUJFWSA-N 2 0 224.392 2.783 10 0 BFAERP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000037646358 173147336 /nfs/dbraw/zinc/14/73/36/173147336.db2.gz FBWXMKCWCSBGES-CZUORRHYSA-N 2 0 244.382 2.605 10 0 BFAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000054602353 173324403 /nfs/dbraw/zinc/32/44/03/173324403.db2.gz WGSUIJFPWHIFPN-YHWZYXNKSA-N 2 0 224.392 2.637 10 0 BFAERP C[NH2+]C[C@@](C)(C[N@H+](C)CC1CC1)c1ccccc1 ZINC000051249756 173372608 /nfs/dbraw/zinc/37/26/08/173372608.db2.gz FOUXFQZYGHKFIP-INIZCTEOSA-N 2 0 246.398 2.506 10 0 BFAERP C[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000042437388 175804802 /nfs/dbraw/zinc/80/48/02/175804802.db2.gz FXTJTHSHJYUWLC-SNVBAGLBSA-N 2 0 226.751 2.509 10 0 BFAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049664289 176022293 /nfs/dbraw/zinc/02/22/93/176022293.db2.gz LKOSVPVEKJHUSB-KGLIPLIRSA-N 2 0 232.371 2.822 10 0 BFAERP C[C@@H](c1ccncc1)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049666704 176035569 /nfs/dbraw/zinc/03/55/69/176035569.db2.gz NOCQRURULMFUTP-MCIONIFRSA-N 2 0 247.386 2.605 10 0 BFAERP C[C@@H]1CC(C)(C)C[C@@](CN)([N@H+](C)CC2CC2)C1 ZINC000037925342 176052628 /nfs/dbraw/zinc/05/26/28/176052628.db2.gz LVRPBWIBNHNQJW-DOMZBBRYSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCC([NH3+])CC1 ZINC000055144604 176077438 /nfs/dbraw/zinc/07/74/38/176077438.db2.gz ZRBFQOFIMOWNNN-RYSNWHEDSA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000019401458 176100905 /nfs/dbraw/zinc/10/09/05/176100905.db2.gz FIJQTLIVNDBRRC-LLVKDONJSA-N 2 0 236.334 2.516 10 0 BFAERP C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(C[NH3+])co2)C1 ZINC000052513885 176121267 /nfs/dbraw/zinc/12/12/67/176121267.db2.gz VCMAYTOTMMGBEM-DGCLKSJQSA-N 2 0 236.359 2.749 10 0 BFAERP C[C@@H]1CC[N@@H+](C2(C)CCCCC2)CCC[NH2+]1 ZINC000045046675 176167666 /nfs/dbraw/zinc/16/76/66/176167666.db2.gz RTEYGXDEADWAGZ-CYBMUJFWSA-N 2 0 224.392 2.783 10 0 BFAERP C[C@@H]1CC[NH+](Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000049664202 176176375 /nfs/dbraw/zinc/17/63/75/176176375.db2.gz QRNDVXHKTCAXSI-ZIAGYGMSSA-N 2 0 232.371 2.649 10 0 BFAERP C[C@@H]1CC[NH2+][C@@H](CCCC[NH+]2CCCC2)C1 ZINC000039110694 176186100 /nfs/dbraw/zinc/18/61/00/176186100.db2.gz JHDUVXMQMAGQPX-KGLIPLIRSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[NH+]2CCCCCC2)C1 ZINC000053861974 176208826 /nfs/dbraw/zinc/20/88/26/176208826.db2.gz RHNUUHVJBZJUPA-HZSPNIEDSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[NH3+])CCCCC2)C1 ZINC000051206840 176360614 /nfs/dbraw/zinc/36/06/14/176360614.db2.gz DSWOXXXSUXMWKR-ZIAGYGMSSA-N 2 0 238.419 2.874 10 0 BFAERP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731329 176362347 /nfs/dbraw/zinc/36/23/47/176362347.db2.gz NXHKKSSTJBNWKE-IIAWOOMASA-N 2 0 246.398 2.707 10 0 BFAERP C[C@H](C[NH3+])C[NH+]1CCC2(CCCCC2)CC1 ZINC000061818695 176658258 /nfs/dbraw/zinc/65/82/58/176658258.db2.gz ORLXXQULACVBPR-CYBMUJFWSA-N 2 0 224.392 2.628 10 0 BFAERP C[C@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000019264380 177076552 /nfs/dbraw/zinc/07/65/52/177076552.db2.gz MVEOLZRCIOUBAP-NSHDSACASA-N 2 0 236.334 2.659 10 0 BFAERP C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052376066 177109960 /nfs/dbraw/zinc/10/99/60/177109960.db2.gz VGZJXFAFOOSIPO-ZDUSSCGKSA-N 2 0 244.382 2.923 10 0 BFAERP C[C@H]1CCC[N@@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052375805 177109967 /nfs/dbraw/zinc/10/99/67/177109967.db2.gz WTNILDANGKCURG-NSHDSACASA-N 2 0 234.343 2.516 10 0 BFAERP C[C@H]1CCC[N@@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052375960 177110429 /nfs/dbraw/zinc/11/04/29/177110429.db2.gz ULIVEUHDWHDJOB-NSHDSACASA-N 2 0 244.338 2.876 10 0 BFAERP C[C@@H]1CCC[C@H](C)C1[NH2+]C1CCC([NH3+])CC1 ZINC000051692923 177113831 /nfs/dbraw/zinc/11/38/31/177113831.db2.gz VVGYJDBZTMXHSA-BTSKDQLBSA-N 2 0 224.392 2.671 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(C[NH3+])c1 ZINC000022167441 177132038 /nfs/dbraw/zinc/13/20/38/177132038.db2.gz RORFIAJGFPKTPA-STQMWFEESA-N 2 0 232.371 2.908 10 0 BFAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1C[NH3+] ZINC000022168750 177132167 /nfs/dbraw/zinc/13/21/67/177132167.db2.gz YKLGOIXNKXXNKX-STQMWFEESA-N 2 0 232.371 2.908 10 0 BFAERP C[C@H]1CC[N@H+](CCC2CCCC2)CCC[NH2+]1 ZINC000049666883 177159095 /nfs/dbraw/zinc/15/90/95/177159095.db2.gz YZRFBMHERIOLKZ-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1CCC[C@H]([N@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000049665912 177285815 /nfs/dbraw/zinc/28/58/15/177285815.db2.gz UTFXWHRQBYJXGN-KBXIAJHMSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694216 177364473 /nfs/dbraw/zinc/36/44/73/177364473.db2.gz WNZWNQXTGGXDPC-BQOUJGBCSA-N 2 0 248.414 2.767 10 0 BFAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361182 226341757 /nfs/dbraw/zinc/34/17/57/226341757.db2.gz NRANVGGGAFHGAX-IHRRRGAJSA-N 2 0 232.371 2.644 10 0 BFAERP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400508158 226345262 /nfs/dbraw/zinc/34/52/62/226345262.db2.gz KRMZLOFBGYVVQL-APHBMKBZSA-N 2 0 244.382 2.725 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400526409 226345794 /nfs/dbraw/zinc/34/57/94/226345794.db2.gz QDMRSKBNNCVYDL-YNEHKIRRSA-N 2 0 224.392 2.543 10 0 BFAERP Cc1cccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811629 226351899 /nfs/dbraw/zinc/35/18/99/226351899.db2.gz YOUNPUBBXRHTLW-GUTXKFCHSA-N 2 0 232.371 2.786 10 0 BFAERP CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567647057 326237833 /nfs/dbraw/zinc/23/78/33/326237833.db2.gz OXBRRSFJWIXVPX-XUXIUFHCSA-N 2 0 226.408 2.789 10 0 BFAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567645920 326237998 /nfs/dbraw/zinc/23/79/98/326237998.db2.gz JCVLDVWWLHWNNY-CHWSQXEVSA-N 2 0 226.408 2.790 10 0 BFAERP CC(C)C[NH2+][C@@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000242648997 519749763 /nfs/dbraw/zinc/74/97/63/519749763.db2.gz RPYGRNVBGBBXJN-ZIAGYGMSSA-N 2 0 226.408 2.598 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757129079 582504953 /nfs/dbraw/zinc/50/49/53/582504953.db2.gz KRMQIKXXINFVDR-MJBXVCDLSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000400343469 533838243 /nfs/dbraw/zinc/83/82/43/533838243.db2.gz IEPDQTSRIXYIKK-JSGCOSHPSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H](CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500090 533944691 /nfs/dbraw/zinc/94/46/91/533944691.db2.gz BSYUZXFYYZBQET-IIAWOOMASA-N 2 0 246.398 2.768 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000252474600 520596476 /nfs/dbraw/zinc/59/64/76/520596476.db2.gz IDGPGQKRXMCTNE-ZIAGYGMSSA-N 2 0 224.392 2.735 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000252474599 520597045 /nfs/dbraw/zinc/59/70/45/520597045.db2.gz IDGPGQKRXMCTNE-KGLIPLIRSA-N 2 0 224.392 2.735 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH+](CC)CC)C[C@H]1C ZINC000252475257 520597266 /nfs/dbraw/zinc/59/72/66/520597266.db2.gz XBBXLGXLFDDTMV-KGLIPLIRSA-N 2 0 226.408 2.981 10 0 BFAERP CCC[C@H](C)C[C@H](C[NH3+])[C@H]1CCCC[NH2+]1 ZINC000238854799 521026383 /nfs/dbraw/zinc/02/63/83/521026383.db2.gz PLFOILFTHVSCAK-YNEHKIRRSA-N 2 0 212.381 2.530 10 0 BFAERP C[C@H]1[C@@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238856836 525091579 /nfs/dbraw/zinc/09/15/79/525091579.db2.gz XHQDHKBQLIGGBO-HCZIRCDUSA-N 2 0 246.398 2.879 10 0 BFAERP C[C@@H]1[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238856837 525696715 /nfs/dbraw/zinc/69/67/15/525696715.db2.gz XHQDHKBQLIGGBO-QKDZRIPBSA-N 2 0 246.398 2.879 10 0 BFAERP CC(C)CC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400767274 527680628 /nfs/dbraw/zinc/68/06/28/527680628.db2.gz ZKVQZQSVJVIJBY-CHWSQXEVSA-N 2 0 226.408 2.646 10 0 BFAERP CCC1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400749768 527858719 /nfs/dbraw/zinc/85/87/19/527858719.db2.gz VHAHFEGIPKCAIT-GFJIZPEISA-N 2 0 224.392 2.685 10 0 BFAERP CC(C)C[N@@H+]1C[C@@H]2CCC[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000503720870 528027902 /nfs/dbraw/zinc/02/79/02/528027902.db2.gz WKDTVTPLLXPBOO-KKUMJFAQSA-N 2 0 238.419 2.552 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226858484 534950801 /nfs/dbraw/zinc/95/08/01/534950801.db2.gz OIENUARUPLILPL-GOEBONIOSA-N 2 0 246.398 2.897 10 0 BFAERP CC[NH+](CC)[C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000226861325 535679928 /nfs/dbraw/zinc/67/99/28/535679928.db2.gz LWUAACCWAQBDEE-KBPBESRZSA-N 2 0 226.408 2.837 10 0 BFAERP CC(C)[NH+](C(C)C)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675052985 537861330 /nfs/dbraw/zinc/86/13/30/537861330.db2.gz DAGLSBQCNKFLDS-STQMWFEESA-N 2 0 212.381 2.623 10 0 BFAERP CCCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757123528 582498297 /nfs/dbraw/zinc/49/82/97/582498297.db2.gz ACXDYQKKBMQOMG-UONOGXRCSA-N 2 0 224.392 2.641 10 0 BFAERP CCCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757123560 582498489 /nfs/dbraw/zinc/49/84/89/582498489.db2.gz ACXDYQKKBMQOMG-ZIAGYGMSSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126917 582501267 /nfs/dbraw/zinc/50/12/67/582501267.db2.gz HRRSUWBCXJKVMU-DZGCQCFKSA-N 2 0 236.403 2.641 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127981 582503252 /nfs/dbraw/zinc/50/32/52/582503252.db2.gz ILBDTSFFOUFXBO-NFAWXSAZSA-N 2 0 236.403 2.782 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132612 582507814 /nfs/dbraw/zinc/50/78/14/582507814.db2.gz ROJXGNDTUUGSQA-MELADBBJSA-N 2 0 224.392 2.639 10 0 BFAERP CC1(c2ccc([C@H]3CC[C@@H](C[NH3+])C[NH2+]3)cc2)CC1 ZINC000757217688 586441712 /nfs/dbraw/zinc/44/17/12/586441712.db2.gz RYBQVXCYEXUUBU-SWLSCSKDSA-N 2 0 244.382 2.738 10 0 BFAERP C[C@@H]1[NH2+]CCC[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757236296 586443716 /nfs/dbraw/zinc/44/37/16/586443716.db2.gz NWDPZEBNCKQGLB-NHYWBVRUSA-N 2 0 244.382 2.878 10 0 BFAERP C[C@H]1CC[NH2+]C[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757243121 586445389 /nfs/dbraw/zinc/44/53/89/586445389.db2.gz ZKQAIWHQVSVHJT-ZBEGNZNMSA-N 2 0 244.382 2.736 10 0 BFAERP CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250831036 635499884 /nfs/dbraw/zinc/49/98/84/635499884.db2.gz RDSPOQIQFFAZKA-AVGNSLFASA-N 2 0 212.381 2.672 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000714756664 712497506 /nfs/dbraw/zinc/49/75/06/712497506.db2.gz LDROWTIFFUYSGN-CHWSQXEVSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[C@@]12C[C@@H]1CCCC2 ZINC000708874306 712201775 /nfs/dbraw/zinc/20/17/75/712201775.db2.gz GWMDQFLGBSBWDP-VYDRJRHOSA-N 2 0 236.403 2.543 10 0 BFAERP CC(C)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714495441 712492346 /nfs/dbraw/zinc/49/23/46/712492346.db2.gz HGINHCPYQGGKQX-GFCCVEGCSA-N 2 0 226.408 2.728 10 0 BFAERP CC[C@@H](C)[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714749959 712496959 /nfs/dbraw/zinc/49/69/59/712496959.db2.gz JOENZMBPPJORIY-NEPJUHHUSA-N 2 0 212.381 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+](C2CCC(C)CC2)CC1 ZINC000714758065 712497841 /nfs/dbraw/zinc/49/78/41/712497841.db2.gz SJNDEWCHUCVILY-UHFFFAOYSA-N 2 0 224.392 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000714756813 712497852 /nfs/dbraw/zinc/49/78/52/712497852.db2.gz GGISRQAJMYMKLM-HNNXBMFYSA-N 2 0 244.382 2.877 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H](C(C)C)C2CC2)CC1 ZINC000714757591 712497888 /nfs/dbraw/zinc/49/78/88/712497888.db2.gz AGMJJQBCZKPMQW-CYBMUJFWSA-N 2 0 224.392 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCc3occc32)CC1 ZINC000714759919 712498261 /nfs/dbraw/zinc/49/82/61/712498261.db2.gz YDWODSXDKYPSEK-CYBMUJFWSA-N 2 0 248.370 2.860 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCCc3occc32)CC1 ZINC000714759926 712498265 /nfs/dbraw/zinc/49/82/65/712498265.db2.gz YDWODSXDKYPSEK-ZDUSSCGKSA-N 2 0 248.370 2.860 10 0 BFAERP C[C@H](CN1CCC[C@H]2C[NH2+]CC[C@H]21)C(C)(C)C ZINC000715025896 712503920 /nfs/dbraw/zinc/50/39/20/712503920.db2.gz YNEPKCHQUZMAOK-HZSPNIEDSA-N 2 0 238.419 2.743 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@H]2C ZINC000685954538 538899174 /nfs/dbraw/zinc/89/91/74/538899174.db2.gz NTFYYIIXNDEPSB-YIYPIFLZSA-N 2 0 224.392 2.624 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685955140 538900404 /nfs/dbraw/zinc/90/04/04/538900404.db2.gz ULZDRCOAEHUBHH-JHJVBQTASA-N 2 0 224.392 2.623 10 0 BFAERP CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2CC ZINC000685952531 538896537 /nfs/dbraw/zinc/89/65/37/538896537.db2.gz ABLBEXAELATDPH-ROKHWSDSSA-N 2 0 224.392 2.768 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685952693 538896633 /nfs/dbraw/zinc/89/66/33/538896633.db2.gz CBXMIICWJNIQHQ-OCCSQVGLSA-N 2 0 224.392 2.767 10 0 BFAERP Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)cc[nH+]1 ZINC000097830157 178173485 /nfs/dbraw/zinc/17/34/85/178173485.db2.gz WHAFSEFPGSCXMG-UHFFFAOYSA-N 2 0 239.322 2.605 10 0 BFAERP CCC(CC)[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000036789183 168369482 /nfs/dbraw/zinc/36/94/82/168369482.db2.gz VTMAQSNTKOCNMZ-UHFFFAOYSA-N 2 0 233.359 2.591 10 0 BFAERP CCC(CC)[N@H+](CCC[NH2+]C(C)C)CCOC ZINC000042681309 168372174 /nfs/dbraw/zinc/37/21/74/168372174.db2.gz IQZZQNZZZRFOGA-UHFFFAOYSA-N 2 0 244.423 2.512 10 0 BFAERP CCC(CC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038018937 168386926 /nfs/dbraw/zinc/38/69/26/168386926.db2.gz VCWYVXJWQYNHJS-QXMXGUDHSA-N 2 0 224.392 2.637 10 0 BFAERP C[C@@H]1C[C@H](C)[C@@H]([N@H+](C)Cc2ccccc2)[C@@H]([NH3+])C1 ZINC000219315144 342856818 /nfs/dbraw/zinc/85/68/18/342856818.db2.gz ZGWOISNBEOJKJB-BFJAYTPKSA-N 2 0 246.398 2.880 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000400373396 529651220 /nfs/dbraw/zinc/65/12/20/529651220.db2.gz UTYGWXHTVDSCGY-UBHSHLNASA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000400373394 529666414 /nfs/dbraw/zinc/66/64/14/529666414.db2.gz UTYGWXHTVDSCGY-BNOWGMLFSA-N 2 0 224.392 2.543 10 0 BFAERP CCCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000584047297 343306587 /nfs/dbraw/zinc/30/65/87/343306587.db2.gz GZVZSTUFPSXRHY-KGLIPLIRSA-N 2 0 238.419 2.935 10 0 BFAERP CCC1(C)CC[NH+](CC2(C)CC[NH2+]CC2)CC1 ZINC000062959826 168445448 /nfs/dbraw/zinc/44/54/48/168445448.db2.gz FVBJPIDXACTYOB-UHFFFAOYSA-N 2 0 238.419 2.888 10 0 BFAERP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000221797161 347020763 /nfs/dbraw/zinc/02/07/63/347020763.db2.gz MVNXWIAOOBRPPZ-KCQAQPDRSA-N 2 0 232.371 2.505 10 0 BFAERP C[C@H](CC[NH3+])CCC[NH2+]Cc1ccccc1 ZINC000070610840 343953023 /nfs/dbraw/zinc/95/30/23/343953023.db2.gz QNBCWFCWXKPWFX-ZDUSSCGKSA-N 2 0 220.360 2.541 10 0 BFAERP CC[NH2+][C@@H](C)CC[N@H+](C)Cc1ccccc1 ZINC000043816529 344236770 /nfs/dbraw/zinc/23/67/70/344236770.db2.gz PNYRFQYUNGOLFQ-ZDUSSCGKSA-N 2 0 220.360 2.507 10 0 BFAERP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](C[NH3+])C2)[C@H]1C ZINC000675054277 537894047 /nfs/dbraw/zinc/89/40/47/537894047.db2.gz QZVJSTJUIFHBGM-ZOBORPQBSA-N 2 0 224.392 2.624 10 0 BFAERP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000381327972 345333309 /nfs/dbraw/zinc/33/33/09/345333309.db2.gz RTJRINPTXLRMLF-MGPQQGTHSA-N 2 0 226.408 2.743 10 0 BFAERP C[C@@H]1[C@H]([NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000211623935 345737396 /nfs/dbraw/zinc/73/73/96/345737396.db2.gz WGPDGADSQLFXDI-CZUORRHYSA-N 2 0 244.382 2.792 10 0 BFAERP Cc1ccc2c(c1)[C@@H]([NH+](C)C)CC21CC[NH2+]CC1 ZINC000084789574 178950483 /nfs/dbraw/zinc/95/04/83/178950483.db2.gz ZIYZAFBHQILOID-HNNXBMFYSA-N 2 0 244.382 2.623 10 0 BFAERP Cc1cccc(C[N@@H+]2CCC[NH2+][C@H](C(C)C)C2)c1 ZINC000062622394 179073295 /nfs/dbraw/zinc/07/32/95/179073295.db2.gz QEBHXPWVYZMFQL-INIZCTEOSA-N 2 0 246.398 2.815 10 0 BFAERP Cc1cccc(C[NH+]2CC[C@@H](C)[NH2+][C@H](C)CC2)c1 ZINC000049666833 179078705 /nfs/dbraw/zinc/07/87/05/179078705.db2.gz PGAGQYLGGOMIOM-HUUCEWRRSA-N 2 0 246.398 2.957 10 0 BFAERP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427378 179084073 /nfs/dbraw/zinc/08/40/73/179084073.db2.gz FIOZEQNAYRCAIX-ZFWWWQNUSA-N 2 0 232.371 2.554 10 0 BFAERP Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036127817 179268478 /nfs/dbraw/zinc/26/84/78/179268478.db2.gz UEAKVEKHHFPDMH-UKRRQHHQSA-N 2 0 232.371 2.554 10 0 BFAERP Cc1ccccc1C[N@H+](C)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578497 179269627 /nfs/dbraw/zinc/26/96/27/179269627.db2.gz GLIYHFPVTOOOFC-HOCLYGCPSA-N 2 0 246.398 2.944 10 0 BFAERP Cc1ccccc1C[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049666752 179274675 /nfs/dbraw/zinc/27/46/75/179274675.db2.gz AAVJGIVBNYAAKF-HUUCEWRRSA-N 2 0 246.398 2.957 10 0 BFAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000062622393 179275097 /nfs/dbraw/zinc/27/50/97/179275097.db2.gz PUDVELGVVIFUOB-MRXNPFEDSA-N 2 0 246.398 2.815 10 0 BFAERP Cc1ccccc1C[N@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 ZINC000049666754 179276643 /nfs/dbraw/zinc/27/66/43/179276643.db2.gz HTQMNEZYOWEPOD-ZFWWWQNUSA-N 2 0 246.398 2.815 10 0 BFAERP Cc1ccccc1[C@H](C)[NH+]1CCC[NH2+]CCC1 ZINC000049667729 179334020 /nfs/dbraw/zinc/33/40/20/179334020.db2.gz LPUMJZXDRIZKLV-AWEZNQCLSA-N 2 0 232.371 2.741 10 0 BFAERP Cc1[nH+]ccc(N[C@H](C[NH3+])CC(C)C)c1Cl ZINC000309317790 180205653 /nfs/dbraw/zinc/20/56/53/180205653.db2.gz GKXFHRQLPPISAS-JTQLQIEISA-N 2 0 241.766 2.829 10 0 BFAERP C[N@H+](Cc1ccccc1)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270797 538102882 /nfs/dbraw/zinc/10/28/82/538102882.db2.gz UAAHMOICEVLKDT-PCKAHOCUSA-N 2 0 244.382 2.778 10 0 BFAERP CC[C@H](CC[NH3+])[N@H+](Cc1ccccc1)C1CC1 ZINC000036128202 188112758 /nfs/dbraw/zinc/11/27/58/188112758.db2.gz CBFWJUKTHZQEBF-CQSZACIVSA-N 2 0 232.371 2.778 10 0 BFAERP Cc1cc(N(C)C[C@H](C)C[NH3+])c2ccccc2[nH+]1 ZINC000042455717 188119523 /nfs/dbraw/zinc/11/95/23/188119523.db2.gz VILLWDXYVGNTPS-LLVKDONJSA-N 2 0 243.354 2.574 10 0 BFAERP C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000415094295 191676657 /nfs/dbraw/zinc/67/66/57/191676657.db2.gz DPARIIAEMRZWGE-VNHYZAJKSA-N 2 0 238.419 2.933 10 0 BFAERP CCN1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000389267461 355943092 /nfs/dbraw/zinc/94/30/92/355943092.db2.gz QDCJBZJWKRRLTK-QEJZJMRPSA-N 2 0 236.403 2.663 10 0 BFAERP CC(C)[NH+](C(C)C)C1CC2(C1)CC[NH2+]CC2 ZINC000675070184 538499840 /nfs/dbraw/zinc/49/98/40/538499840.db2.gz QYCJGSMWUSXMCF-UHFFFAOYSA-N 2 0 224.392 2.637 10 0 BFAERP C[C@@H]1CCC[N@H+](C2CC3(C2)CC[NH2+]CC3)[C@H]1C ZINC000675069273 538498131 /nfs/dbraw/zinc/49/81/31/538498131.db2.gz DVIPKKBDSCCIGT-OLZOCXBDSA-N 2 0 236.403 2.639 10 0 BFAERP CCC(CC)[NH2+]C1CCC(C)(C[NH3+])CC1 ZINC000685946100 538887639 /nfs/dbraw/zinc/88/76/39/538887639.db2.gz KEEHNNJTROOVPJ-UHFFFAOYSA-N 2 0 212.381 2.672 10 0 BFAERP CCC[NH2+]CC[C@@H]1CCCC[N@@H+]1CCC ZINC000584627511 358297150 /nfs/dbraw/zinc/29/71/50/358297150.db2.gz TZBDMTJNJIUJTR-ZDUSSCGKSA-N 2 0 212.381 2.641 10 0 BFAERP CC[C@@H]1CC[C@H](CC[NH+]2CCCCC2)[N@H+](C)C1 ZINC000584652401 358307641 /nfs/dbraw/zinc/30/76/41/358307641.db2.gz JOLHHPBOZQCLKE-HUUCEWRRSA-N 2 0 238.419 2.983 10 0 BFAERP C[C@@H]([NH3+])C[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000228269952 358372012 /nfs/dbraw/zinc/37/20/12/358372012.db2.gz BMMKQPXRYQZOPO-GHMZBOCLSA-N 2 0 229.327 2.773 10 0 BFAERP C[C@H]([NH3+])C[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000228269983 358372308 /nfs/dbraw/zinc/37/23/08/358372308.db2.gz BMMKQPXRYQZOPO-QWRGUYRKSA-N 2 0 229.327 2.773 10 0 BFAERP Cc1cc(N[C@H](C)CC[NH3+])c2ccccc2[nH+]1 ZINC000134274677 358785915 /nfs/dbraw/zinc/78/59/15/358785915.db2.gz QFZKGPCKZBRQAS-SNVBAGLBSA-N 2 0 229.327 2.692 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000578738349 366634723 /nfs/dbraw/zinc/63/47/23/366634723.db2.gz JDXVZWXRLBPHBA-MELADBBJSA-N 2 0 238.419 2.933 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000578738348 366634812 /nfs/dbraw/zinc/63/48/12/366634812.db2.gz JDXVZWXRLBPHBA-IHRRRGAJSA-N 2 0 238.419 2.933 10 0 BFAERP CC(C)(C)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683869 360268741 /nfs/dbraw/zinc/26/87/41/360268741.db2.gz DHOMAVAMWADMAX-AWEZNQCLSA-N 2 0 238.419 2.840 10 0 BFAERP CC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000306603860 360532550 /nfs/dbraw/zinc/53/25/50/360532550.db2.gz XXDDAPSXPJJOQQ-IUODEOHRSA-N 2 0 245.370 2.626 10 0 BFAERP [NH3+]C1CCC([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000335664522 181341484 /nfs/dbraw/zinc/34/14/84/181341484.db2.gz UAFJZJBPQFYKCT-VOMCLLRMSA-N 2 0 246.345 2.671 10 0 BFAERP [NH3+]C1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095077335 181342097 /nfs/dbraw/zinc/34/20/97/181342097.db2.gz QUNKPKKPFKEIJR-UHFFFAOYSA-N 2 0 244.382 2.780 10 0 BFAERP [NH3+]CCCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000049580706 181375537 /nfs/dbraw/zinc/37/55/37/181375537.db2.gz XIOQWVZOGOWLFW-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP [NH3+]CCC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000037713730 181382902 /nfs/dbraw/zinc/38/29/02/181382902.db2.gz ULRIDFMQTISOOI-UHFFFAOYSA-N 2 0 246.379 2.854 10 0 BFAERP [NH3+]CCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000104429990 181385793 /nfs/dbraw/zinc/38/57/93/181385793.db2.gz PXZJNSKXTVYZCL-AWEZNQCLSA-N 2 0 236.334 2.529 10 0 BFAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000104429994 181386105 /nfs/dbraw/zinc/38/61/05/181386105.db2.gz PXZJNSKXTVYZCL-CQSZACIVSA-N 2 0 236.334 2.529 10 0 BFAERP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000574544103 365087831 /nfs/dbraw/zinc/08/78/31/365087831.db2.gz IJJMSAVRSOCNKD-ZBFHGGJFSA-N 2 0 246.398 2.515 10 0 BFAERP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000381327969 367381720 /nfs/dbraw/zinc/38/17/20/367381720.db2.gz RTJRINPTXLRMLF-BFHYXJOUSA-N 2 0 226.408 2.743 10 0 BFAERP CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581536065 367554165 /nfs/dbraw/zinc/55/41/65/367554165.db2.gz GAOTYIYSNAKBQN-ZFWWWQNUSA-N 2 0 246.398 2.727 10 0 BFAERP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581661300 367662161 /nfs/dbraw/zinc/66/21/61/367662161.db2.gz KOVZJDLXWJDAPW-DGAVXFQQSA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839828 369181825 /nfs/dbraw/zinc/18/18/25/369181825.db2.gz LKKOIISGYQQKBU-AEGPPILISA-N 2 0 232.371 2.664 10 0 BFAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839831 369183714 /nfs/dbraw/zinc/18/37/14/369183714.db2.gz LKKOIISGYQQKBU-VHDGCEQUSA-N 2 0 232.371 2.664 10 0 BFAERP CCC[NH+](CCC)Cc1cccc(C[NH3+])c1 ZINC000021952319 169149310 /nfs/dbraw/zinc/14/93/10/169149310.db2.gz KQGWADKYUQKLRZ-UHFFFAOYSA-N 2 0 220.360 2.767 10 0 BFAERP CCC[NH+](CCC)CCC[C@@H]1CCC[NH2+]1 ZINC000052764287 169147350 /nfs/dbraw/zinc/14/73/50/169147350.db2.gz OTRMFESLPJJXFM-ZDUSSCGKSA-N 2 0 212.381 2.641 10 0 BFAERP CCC[NH+](CCC)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000058081478 169148295 /nfs/dbraw/zinc/14/82/95/169148295.db2.gz LDCOPOIAQOLDIC-OLZOCXBDSA-N 2 0 212.381 2.626 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073654023 169208254 /nfs/dbraw/zinc/20/82/54/169208254.db2.gz XOMLVCHCRRGORR-KGLIPLIRSA-N 2 0 224.392 2.593 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH+](CC)CC)C[C@@H]1C ZINC000073655968 169208423 /nfs/dbraw/zinc/20/84/23/169208423.db2.gz RAKQYTWEXQVFNT-STQMWFEESA-N 2 0 212.381 2.591 10 0 BFAERP c1cc(NCCCCNc2cc[nH+]cc2)cc[nH+]1 ZINC000026487449 183357165 /nfs/dbraw/zinc/35/71/65/183357165.db2.gz YWXNPUGBFKCTIG-UHFFFAOYSA-N 2 0 242.326 2.781 10 0 BFAERP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417572 169260448 /nfs/dbraw/zinc/26/04/48/169260448.db2.gz WHFFCDMQVDSWRV-CQSZACIVSA-N 2 0 234.387 2.897 10 0 BFAERP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000053031420 169262713 /nfs/dbraw/zinc/26/27/13/169262713.db2.gz NRVOHILIAOJYQH-HNNXBMFYSA-N 2 0 246.398 2.817 10 0 BFAERP CCC[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000052377593 169268059 /nfs/dbraw/zinc/26/80/59/169268059.db2.gz LTCCWICFMSHGDJ-UHFFFAOYSA-N 2 0 232.371 2.782 10 0 BFAERP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000082646684 169275846 /nfs/dbraw/zinc/27/58/46/169275846.db2.gz RDANJHDVDQPYMF-UONOGXRCSA-N 2 0 226.408 2.743 10 0 BFAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000036790016 169365571 /nfs/dbraw/zinc/36/55/71/169365571.db2.gz GIFCSTQLLIITSW-LLVKDONJSA-N 2 0 238.350 2.905 10 0 BFAERP CCC[C@@H]([NH3+])CN1CC[C@H](c2ccccc2)C1 ZINC000050598731 169393021 /nfs/dbraw/zinc/39/30/21/169393021.db2.gz VVVMXLUBHNOKIK-LSDHHAIUSA-N 2 0 232.371 2.603 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858859 134370437 /nfs/dbraw/zinc/37/04/37/134370437.db2.gz WNEWJZZFUPXPLD-KBPBESRZSA-N 2 0 226.408 2.743 10 0 BFAERP C[C@@H](C[C@H](C[NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC000068591379 384003054 /nfs/dbraw/zinc/00/30/54/384003054.db2.gz JLVMJCURVBWAAI-XJKSGUPXSA-N 2 0 246.398 2.755 10 0 BFAERP C[C@@H]1[C@@H](C)[C@H](C)[C@H]([NH3+])[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593253 384003213 /nfs/dbraw/zinc/00/32/13/384003213.db2.gz XHQDHKBQLIGGBO-HAFSJTIUSA-N 2 0 246.398 2.879 10 0 BFAERP Cc1csc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000518513972 383973998 /nfs/dbraw/zinc/97/39/98/383973998.db2.gz AENGBGBWDVJCTL-RYUDHWBXSA-N 2 0 238.400 2.534 10 0 BFAERP C[C@H](C[C@H](C[NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC000068591382 384001699 /nfs/dbraw/zinc/00/16/99/384001699.db2.gz JLVMJCURVBWAAI-CZUORRHYSA-N 2 0 246.398 2.755 10 0 BFAERP [NH3+]C[C@H]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000095077543 384353017 /nfs/dbraw/zinc/35/30/17/384353017.db2.gz HCOHDXPCJRZNOY-HOTGVXAUSA-N 2 0 244.382 2.638 10 0 BFAERP CCCC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000171139006 385469540 /nfs/dbraw/zinc/46/95/40/385469540.db2.gz YFSHRLOCYOAADO-AWEZNQCLSA-N 2 0 247.386 2.924 10 0 BFAERP C[C@H]([NH2+]CC1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414865257 385768514 /nfs/dbraw/zinc/76/85/14/385768514.db2.gz ZFSBRRSUBTVNGI-OOJKYFRXSA-N 2 0 238.419 2.790 10 0 BFAERP [NH3+]C1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000335021891 385982749 /nfs/dbraw/zinc/98/27/49/385982749.db2.gz JYYTWFXWKQTSLC-UNXYVOJBSA-N 2 0 246.345 2.671 10 0 BFAERP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C(C)(C)C ZINC000336770244 386011243 /nfs/dbraw/zinc/01/12/43/386011243.db2.gz VLHPIZVLMXEMFG-VXGBXAGGSA-N 2 0 214.397 2.598 10 0 BFAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@H](C)[NH3+] ZINC000415012229 386493339 /nfs/dbraw/zinc/49/33/39/386493339.db2.gz JBKLCNIEGVKNEZ-KXNHARMFSA-N 2 0 212.381 2.527 10 0 BFAERP CC1CCC(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415035072 386522016 /nfs/dbraw/zinc/52/20/16/386522016.db2.gz KLICOLFMEPTTKQ-HOAMVYINSA-N 2 0 224.392 2.530 10 0 BFAERP C[C@H](CC1CCCC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415048069 386535096 /nfs/dbraw/zinc/53/50/96/386535096.db2.gz BYYSBDKNEISRRV-UMVBOHGHSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000520394171 386662641 /nfs/dbraw/zinc/66/26/41/386662641.db2.gz PNJHIKNDYISGSL-QPSCCSFWSA-N 2 0 238.419 2.933 10 0 BFAERP CC[C@H]([NH2+]CCC[NH+]1CCCC1)C(C)(C)C ZINC000336670339 386804099 /nfs/dbraw/zinc/80/40/99/386804099.db2.gz AFEZYKFLBWVBRZ-ZDUSSCGKSA-N 2 0 226.408 2.887 10 0 BFAERP Cc1ccccc1[C@H](C)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000358396822 386947556 /nfs/dbraw/zinc/94/75/56/386947556.db2.gz JTUPTKKKKADBTK-YDHLFZDLSA-N 2 0 232.371 2.596 10 0 BFAERP [NH3+]CCC[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000575438220 387110960 /nfs/dbraw/zinc/11/09/60/387110960.db2.gz HNHOHUGMSDUHKK-VIFPVBQESA-N 2 0 233.142 2.732 10 0 BFAERP CC(C)c1cccc([C@@H]([NH3+])CCC[NH3+])c1 ZINC000575437966 387111985 /nfs/dbraw/zinc/11/19/85/387111985.db2.gz DLBFKADXUUEOBG-ZDUSSCGKSA-N 2 0 206.333 2.549 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000575440272 387128040 /nfs/dbraw/zinc/12/80/40/387128040.db2.gz YNAQBDPUQPHZQV-LLVKDONJSA-N 2 0 230.714 2.608 10 0 BFAERP CCSc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000575438382 387128819 /nfs/dbraw/zinc/12/88/19/387128819.db2.gz JSYQEGQMZJELEW-ZDUSSCGKSA-N 2 0 238.400 2.927 10 0 BFAERP CC1(C)[C@H]([NH2+]Cc2ccccc2)[C@@H]2CCC[NH2+][C@H]21 ZINC000575505328 387372633 /nfs/dbraw/zinc/37/26/33/387372633.db2.gz YBTKGPYTRITDJO-RBSFLKMASA-N 2 0 244.382 2.553 10 0 BFAERP C[C@@H]1C[N@@H+]([C@@H]2CCC23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423502181 387342580 /nfs/dbraw/zinc/34/25/80/387342580.db2.gz CIWAGLNXYXKLHD-MGPQQGTHSA-N 2 0 236.403 2.626 10 0 BFAERP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422748962 387653015 /nfs/dbraw/zinc/65/30/15/387653015.db2.gz WWVPVZGXLJBYAQ-NEPJUHHUSA-N 2 0 232.371 2.508 10 0 BFAERP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400758936 387688593 /nfs/dbraw/zinc/68/85/93/387688593.db2.gz XSHXOVHESPVLDU-SQWLQELKSA-N 2 0 246.398 2.514 10 0 BFAERP CC[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633222 387858488 /nfs/dbraw/zinc/85/84/88/387858488.db2.gz HRQUHTHZZDSPMN-OWCLPIDISA-N 2 0 244.382 2.631 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000160208974 388053063 /nfs/dbraw/zinc/05/30/63/388053063.db2.gz YUBODFUCQAKYAY-AEGPPILISA-N 2 0 232.371 2.773 10 0 BFAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2ccccc21 ZINC000336785690 388471360 /nfs/dbraw/zinc/47/13/60/388471360.db2.gz AJWHEJXUZDBXNB-GXTWGEPZSA-N 2 0 248.370 2.617 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2CCCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000310065849 388475692 /nfs/dbraw/zinc/47/56/92/388475692.db2.gz BHZBIWRWDCANEB-VNHYZAJKSA-N 2 0 238.419 2.872 10 0 BFAERP CCc1cc(N[C@H]2CCC[N@@H+](CC)C2)cc[nH+]1 ZINC000307774103 388425847 /nfs/dbraw/zinc/42/58/47/388425847.db2.gz RAPJGTIVTZGVAW-AWEZNQCLSA-N 2 0 233.359 2.540 10 0 BFAERP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H]1CC1(C)C ZINC000397797548 388500213 /nfs/dbraw/zinc/50/02/13/388500213.db2.gz MAJNVRFHTABSIL-XQQFMLRXSA-N 2 0 226.408 2.598 10 0 BFAERP Cc1ccc(Cl)c([C@H]([NH3+])CCC[NH3+])c1F ZINC000575438593 388623907 /nfs/dbraw/zinc/62/39/07/388623907.db2.gz LNQLYKIOVBSPBL-SECBINFHSA-N 2 0 230.714 2.526 10 0 BFAERP C[C@@H]([NH2+]CC(C)(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400517267 533354148 /nfs/dbraw/zinc/35/41/48/533354148.db2.gz GLZSQALILQXJRR-KGLIPLIRSA-N 2 0 246.398 2.552 10 0 BFAERP CC(C)C[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1 ZINC000053700664 132363122 /nfs/dbraw/zinc/36/31/22/132363122.db2.gz ANEMETBMFAXJOZ-OAHLLOKOSA-N 2 0 247.386 2.686 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000222015325 134329089 /nfs/dbraw/zinc/32/90/89/134329089.db2.gz IHADABGKAGOPLB-CBBWQLFWSA-N 2 0 238.419 2.885 10 0 BFAERP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000222736187 134333990 /nfs/dbraw/zinc/33/39/90/134333990.db2.gz CDSUHGFSBQAMBX-IACUBPJLSA-N 2 0 224.392 2.637 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](C)C1 ZINC000226858766 134370149 /nfs/dbraw/zinc/37/01/49/134370149.db2.gz UFSKSAVKHXINDY-UONOGXRCSA-N 2 0 224.392 2.593 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000227327581 134378126 /nfs/dbraw/zinc/37/81/26/134378126.db2.gz IUGKDUMMUNYCRN-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP Cc1c[nH+]ccc1N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248657385 135018774 /nfs/dbraw/zinc/01/87/74/135018774.db2.gz AJWRORDXUWZQCE-TZMCWYRMSA-N 2 0 233.359 2.531 10 0 BFAERP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000250749311 135058492 /nfs/dbraw/zinc/05/84/92/135058492.db2.gz NHYJZRVGCJQECM-GJZGRUSLSA-N 2 0 232.371 2.677 10 0 BFAERP CC1(C)C[N@H+](CC2CCCCC2)CC[C@H]1[NH3+] ZINC000258604584 135132752 /nfs/dbraw/zinc/13/27/52/135132752.db2.gz AJIBGRDICBEIIY-CYBMUJFWSA-N 2 0 224.392 2.626 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261567792 135209325 /nfs/dbraw/zinc/20/93/25/135209325.db2.gz FCUDFCZNDHLBGV-LBPRGKRZSA-N 2 0 238.400 2.616 10 0 BFAERP CC(C)C[NH2+][C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC000073656333 167015322 /nfs/dbraw/zinc/01/53/22/167015322.db2.gz NKTOUSHHUKBFNH-KGLIPLIRSA-N 2 0 226.408 2.741 10 0 BFAERP c1sc2ccccc2c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258856912 322878857 /nfs/dbraw/zinc/87/88/57/322878857.db2.gz IKEBVYALARGLJV-LLVKDONJSA-N 2 0 246.379 2.600 10 0 BFAERP CSc1ccc(C[NH2+]C(C)(C)CC[NH3+])cc1 ZINC000258878630 322879148 /nfs/dbraw/zinc/87/91/48/322879148.db2.gz PWZVADFDJSOCJV-UHFFFAOYSA-N 2 0 238.400 2.626 10 0 BFAERP CC(C)C[NH2+]C[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000053030987 167008178 /nfs/dbraw/zinc/00/81/78/167008178.db2.gz NWLSNPQEXXVRFD-OAHLLOKOSA-N 2 0 238.419 2.744 10 0 BFAERP CC(C)C[NH2+]Cc1ccc(C[NH+]2CCCC2)o1 ZINC000052377386 167008502 /nfs/dbraw/zinc/00/85/02/167008502.db2.gz NWODPXCEQBORAY-UHFFFAOYSA-N 2 0 236.359 2.621 10 0 BFAERP CC(C)[NH2+]CCCC[NH2+][C@@H](C)Cc1ccco1 ZINC000042593890 167102864 /nfs/dbraw/zinc/10/28/64/167102864.db2.gz YVTOFMJEWLNLEI-ZDUSSCGKSA-N 2 0 238.375 2.578 10 0 BFAERP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)C(C)C ZINC000052419540 167121115 /nfs/dbraw/zinc/12/11/15/167121115.db2.gz SXTOEEWZIWPLOA-UHFFFAOYSA-N 2 0 224.348 2.618 10 0 BFAERP CC1([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000070503346 168062251 /nfs/dbraw/zinc/06/22/51/168062251.db2.gz QTSBCTOUBCXFIA-OLZOCXBDSA-N 2 0 224.392 2.816 10 0 BFAERP CC1([NH2+]CC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000054309235 168063296 /nfs/dbraw/zinc/06/32/96/168063296.db2.gz RULNAALELBARBP-CYBMUJFWSA-N 2 0 224.392 2.689 10 0 BFAERP CC1CCC([N@H+](C)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042488245 168158858 /nfs/dbraw/zinc/15/88/58/168158858.db2.gz NGTCSYDLGZKJDL-MOKVOYLWSA-N 2 0 224.392 2.639 10 0 BFAERP CC1CC[NH+](CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000020071345 168182706 /nfs/dbraw/zinc/18/27/06/168182706.db2.gz YOMAHQAIRLHEKB-OAHLLOKOSA-N 2 0 232.371 2.808 10 0 BFAERP CC1CC[NH+]([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022283 168185576 /nfs/dbraw/zinc/18/55/76/168185576.db2.gz PVQNJFGFJSMKOG-CQSZACIVSA-N 2 0 245.370 2.786 10 0 BFAERP CC1CC[NH+]([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022281 168185997 /nfs/dbraw/zinc/18/59/97/168185997.db2.gz PVQNJFGFJSMKOG-AWEZNQCLSA-N 2 0 245.370 2.786 10 0 BFAERP CC[NH2+]C1CC[NH+](C2(C)CCCCC2)CC1 ZINC000045046000 170108121 /nfs/dbraw/zinc/10/81/21/170108121.db2.gz FHWYNFRVYLILTR-UHFFFAOYSA-N 2 0 224.392 2.783 10 0 BFAERP CC[NH2+]C1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000042864260 170108368 /nfs/dbraw/zinc/10/83/68/170108368.db2.gz YSKAKQWYOXXQLK-KGLIPLIRSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]CC1(C[N@H+](C)C[C@H]2C[C@@H]2C)CCCC1 ZINC000104410732 170111225 /nfs/dbraw/zinc/11/12/25/170111225.db2.gz LORUVOLBWFUQOC-UONOGXRCSA-N 2 0 238.419 2.744 10 0 BFAERP CC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000052424770 170116635 /nfs/dbraw/zinc/11/66/35/170116635.db2.gz YPFPSLUQEUEKGV-CQSZACIVSA-N 2 0 234.387 2.815 10 0 BFAERP CC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000052547152 170117635 /nfs/dbraw/zinc/11/76/35/170117635.db2.gz SNZKRLLHRZXQJO-AWEZNQCLSA-N 2 0 234.387 2.815 10 0 BFAERP CC[NH2+]C[C@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034219 170123108 /nfs/dbraw/zinc/12/31/08/170123108.db2.gz DIKRLGBJPANRPI-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+]C[C@](C)(CC)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000051207078 170123293 /nfs/dbraw/zinc/12/32/93/170123293.db2.gz FNEFGVNCAUYSTC-KKUMJFAQSA-N 2 0 240.435 2.990 10 0 BFAERP CC[NH2+][C@@H]1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000053861131 170150709 /nfs/dbraw/zinc/15/07/09/170150709.db2.gz YHNSNKMJJBLACO-UONOGXRCSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000049708935 170152012 /nfs/dbraw/zinc/15/20/12/170152012.db2.gz DHYAABRHHPHLLF-GDBMZVCRSA-N 2 0 246.398 2.692 10 0 BFAERP CC[NH2+][C@H]1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000053861130 170166309 /nfs/dbraw/zinc/16/63/09/170166309.db2.gz YHNSNKMJJBLACO-KGLIPLIRSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860434 170166786 /nfs/dbraw/zinc/16/67/86/170166786.db2.gz XUIBGGRSSRYAHN-BARDWOONSA-N 2 0 238.419 2.743 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1C ZINC000049713038 170166912 /nfs/dbraw/zinc/16/69/12/170166912.db2.gz BMYWZCWOHXONCX-ZFWWWQNUSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000049708914 170168243 /nfs/dbraw/zinc/16/82/43/170168243.db2.gz WFBMQFPSDYQANQ-HOCLYGCPSA-N 2 0 246.398 2.549 10 0 BFAERP CCOc1ccccc1[C@@H](CC[NH3+])[NH+]1CCCC1 ZINC000041301910 170598554 /nfs/dbraw/zinc/59/85/54/170598554.db2.gz HFOKPBADQVWGFF-CQSZACIVSA-N 2 0 248.370 2.571 10 0 BFAERP CC[C@@H](CC(F)F)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000662266522 412058913 /nfs/dbraw/zinc/05/89/13/412058913.db2.gz ICIXVXLQVCYBIC-RYUDHWBXSA-N 2 0 248.361 2.742 10 0 BFAERP CC[C@@H]1CC[N@H+](Cc2cccc(C)c2)CCC[NH2+]1 ZINC000049666824 171011102 /nfs/dbraw/zinc/01/11/02/171011102.db2.gz MMXAUXOSCZYNNL-MRXNPFEDSA-N 2 0 246.398 2.959 10 0 BFAERP CC1([NH3+])CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000662271228 412063946 /nfs/dbraw/zinc/06/39/46/412063946.db2.gz TYYLMEQWCJFQMX-NSHDSACASA-N 2 0 246.345 2.625 10 0 BFAERP CC[C@H](C)C[N@H+](C)Cc1ccccc1C[NH2+]C ZINC000052454414 171275276 /nfs/dbraw/zinc/27/52/76/171275276.db2.gz RGZYIBYZZQRLMG-ZDUSSCGKSA-N 2 0 234.387 2.884 10 0 BFAERP CC[C@H](C)[N@H+](C)[C@@H](c1ccc(F)cc1)[C@@H](C)N ZINC000042913757 171309647 /nfs/dbraw/zinc/30/96/47/171309647.db2.gz SRMSHIRVIXEBGW-MISXGVKJSA-N 2 0 238.350 2.944 10 0 BFAERP CC[C@H](C)[N@H+](CC)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052451000 171311726 /nfs/dbraw/zinc/31/17/26/171311726.db2.gz WOFPNSVIERXMGG-NSHDSACASA-N 2 0 238.375 2.928 10 0 BFAERP CC[C@H](C)[NH2+]CCN(C)Cc1ccc(C)cc1 ZINC000037617938 171340307 /nfs/dbraw/zinc/34/03/07/171340307.db2.gz PYKNAOAMZZTDOB-AWEZNQCLSA-N 2 0 234.387 2.815 10 0 BFAERP CC(C)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293077 412082174 /nfs/dbraw/zinc/08/21/74/412082174.db2.gz JNPZQGLGRUXSJT-ZFWWWQNUSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000665239070 412180737 /nfs/dbraw/zinc/18/07/37/412180737.db2.gz LJSVCHWUSJEDQF-SEBNEYGDSA-N 2 0 238.419 2.646 10 0 BFAERP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000037646359 173118584 /nfs/dbraw/zinc/11/85/84/173118584.db2.gz FBWXMKCWCSBGES-XJKSGUPXSA-N 2 0 244.382 2.605 10 0 BFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1CCCCC1)C2 ZINC000037259283 173206306 /nfs/dbraw/zinc/20/63/06/173206306.db2.gz GJEPMTXNYYMCHO-GOOCMWNKSA-N 2 0 236.403 2.782 10 0 BFAERP C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000049526074 173323700 /nfs/dbraw/zinc/32/37/00/173323700.db2.gz YEYXGPFRKCOVPL-CYBMUJFWSA-N 2 0 232.371 2.740 10 0 BFAERP C[NH2+]CC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075963 173358298 /nfs/dbraw/zinc/35/82/98/173358298.db2.gz GXDDFTODYOACGW-HNNXBMFYSA-N 2 0 232.371 2.508 10 0 BFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cccs2)C1 ZINC000040592490 173378566 /nfs/dbraw/zinc/37/85/66/173378566.db2.gz HHASXEYJBCQGSF-NWDGAFQWSA-N 2 0 238.400 2.741 10 0 BFAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(C)s2)C1 ZINC000053031908 173381265 /nfs/dbraw/zinc/38/12/65/173381265.db2.gz BQCRBSLHPAEUMC-VXGBXAGGSA-N 2 0 238.400 2.659 10 0 BFAERP C[NH2+]Cc1cc(C[N@H+](C)CC(C)(C)C)oc1C ZINC000052570069 173387031 /nfs/dbraw/zinc/38/70/31/173387031.db2.gz QZAALEAOTLYIOE-UHFFFAOYSA-N 2 0 238.375 2.785 10 0 BFAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000052381615 173390752 /nfs/dbraw/zinc/39/07/52/173390752.db2.gz YLNYDFAMLGUUNJ-ZDUSSCGKSA-N 2 0 232.371 2.638 10 0 BFAERP C[C@@H]1CCC[N@@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037911172 176108169 /nfs/dbraw/zinc/10/81/69/176108169.db2.gz XAOXFBNTEYRUFR-OCCSQVGLSA-N 2 0 218.344 2.561 10 0 BFAERP C[C@@H]1CC[N@H+](CCC2CCCC2)CCC[NH2+]1 ZINC000049666881 176167999 /nfs/dbraw/zinc/16/79/99/176167999.db2.gz YZRFBMHERIOLKZ-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@H](C[N@@H+]1CC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000053940500 176171635 /nfs/dbraw/zinc/17/16/35/176171635.db2.gz AWLUUWWSVNQKCW-NFAWXSAZSA-N 2 0 232.371 2.664 10 0 BFAERP C[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)[C@H](C)C1 ZINC000051729989 176174597 /nfs/dbraw/zinc/17/45/97/176174597.db2.gz KFBIMPJNTMHIDI-CHWSQXEVSA-N 2 0 232.371 2.766 10 0 BFAERP C[C@@H]1CC[NH2+][C@H](CCCC[NH+]2CCCC2)C1 ZINC000039110690 176186938 /nfs/dbraw/zinc/18/69/38/176186938.db2.gz JHDUVXMQMAGQPX-ZIAGYGMSSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1CC[C@@H]([NH3+])[C@@H](N2CCc3ccccc3C2)C1 ZINC000020282582 176208859 /nfs/dbraw/zinc/20/88/59/176208859.db2.gz LTPYDUURZCTDIC-WQVCFCJDSA-N 2 0 244.382 2.561 10 0 BFAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CC1CCCCC1 ZINC000042427270 176224390 /nfs/dbraw/zinc/22/43/90/176224390.db2.gz VGYIESKFFVSTQD-TZMCWYRMSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(C[NH3+])c2)C1 ZINC000021951949 176362328 /nfs/dbraw/zinc/36/23/28/176362328.db2.gz QDIVFRZYKVUFLA-CHWSQXEVSA-N 2 0 232.371 2.623 10 0 BFAERP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000026515068 176371956 /nfs/dbraw/zinc/37/19/56/176371956.db2.gz HOBDBQWSECHTPC-DGCLKSJQSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@H](C1CCCCC1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512265 176595445 /nfs/dbraw/zinc/59/54/45/176595445.db2.gz ABYKTIAXIRYEHO-GFCCVEGCSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012229 177040340 /nfs/dbraw/zinc/04/03/40/177040340.db2.gz DOJWTODVVRTRTH-ZIAGYGMSSA-N 2 0 244.382 2.822 10 0 BFAERP C[C@H](c1ccccc1F)[N@H+](C)CCCC(N)=[NH2+] ZINC000062014886 177041578 /nfs/dbraw/zinc/04/15/78/177041578.db2.gz DLVCEFCBPWEAEL-SNVBAGLBSA-N 2 0 237.322 2.535 10 0 BFAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071249717 177077445 /nfs/dbraw/zinc/07/74/45/177077445.db2.gz BUGAYSCQMNAACJ-NSHDSACASA-N 2 0 236.334 2.659 10 0 BFAERP C[C@H]1CCC[N@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053861948 177099968 /nfs/dbraw/zinc/09/99/68/177099968.db2.gz JGQZZMHHCGQKGJ-IHRRRGAJSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCCn1ccnc1 ZINC000020305995 177114184 /nfs/dbraw/zinc/11/41/84/177114184.db2.gz DTEKLJDCZZXPLF-PBWFPOADSA-N 2 0 235.375 2.688 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058081499 177116687 /nfs/dbraw/zinc/11/66/87/177116687.db2.gz YHOBHJWFYLLUOD-CRWXNKLISA-N 2 0 224.392 2.767 10 0 BFAERP C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccco1 ZINC000019795933 177117710 /nfs/dbraw/zinc/11/77/10/177117710.db2.gz SMVTZIMNTGXSEV-GRYCIOLGSA-N 2 0 222.332 2.542 10 0 BFAERP C[C@H]1CCCC[C@@H]1[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665310 177285588 /nfs/dbraw/zinc/28/55/88/177285588.db2.gz PDMQRKNUFNVTAE-XGUBFFRZSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]1CCCC[C@H]1[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665313 177285780 /nfs/dbraw/zinc/28/57/80/177285780.db2.gz PDMQRKNUFNVTAE-LJISPDSOSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400526406 226345809 /nfs/dbraw/zinc/34/58/09/226345809.db2.gz QDMRSKBNNCVYDL-RWMBFGLXSA-N 2 0 224.392 2.543 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000400737849 226350743 /nfs/dbraw/zinc/35/07/43/226350743.db2.gz SBDXLEAJGRTQNP-ILXRZTDVSA-N 2 0 246.398 2.952 10 0 BFAERP [NH3+]C1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000080354675 487755547 /nfs/dbraw/zinc/75/55/47/487755547.db2.gz AHKCLNRLVUUORA-UHFFFAOYSA-N 2 0 243.354 2.527 10 0 BFAERP C[C@@H]([NH2+]CC1(C)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000569566620 322970483 /nfs/dbraw/zinc/97/04/83/322970483.db2.gz DVKSAJXOFNJQOJ-ZIAGYGMSSA-N 2 0 238.419 2.935 10 0 BFAERP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC000567639941 323034417 /nfs/dbraw/zinc/03/44/17/323034417.db2.gz JUSLYCOYLNKHQN-HTXSYXIBSA-N 2 0 236.403 2.543 10 0 BFAERP C[C@@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000571038373 323104432 /nfs/dbraw/zinc/10/44/32/323104432.db2.gz QEZBYLSMOGIXMX-OLZOCXBDSA-N 2 0 236.403 2.544 10 0 BFAERP C[C@H]([NH2+]CC[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000530217500 324533714 /nfs/dbraw/zinc/53/37/14/324533714.db2.gz BSQCNNAUEJJUPB-SOUVJXGZSA-N 2 0 236.403 2.711 10 0 BFAERP CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567647056 326238211 /nfs/dbraw/zinc/23/82/11/326238211.db2.gz OXBRRSFJWIXVPX-XDQVBPFNSA-N 2 0 226.408 2.789 10 0 BFAERP CCC(CC)(CC)C[NH2+]CC[C@@H](C)[NH3+] ZINC000391322428 488104615 /nfs/dbraw/zinc/10/46/15/488104615.db2.gz GVPXNPDAGUZLRJ-LLVKDONJSA-N 2 0 200.370 2.530 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757134932 582512949 /nfs/dbraw/zinc/51/29/49/582512949.db2.gz XKCXQDILYZKMNP-RDBSUJKOSA-N 2 0 224.392 2.782 10 0 BFAERP CC[NH+](CC)[C@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000242750546 520871964 /nfs/dbraw/zinc/87/19/64/520871964.db2.gz ZSEDGOMMGFNNGK-KGLIPLIRSA-N 2 0 226.408 2.695 10 0 BFAERP CCC[C@H](C)C[C@@H](C[NH3+])[C@H]1CCCC[NH2+]1 ZINC000238854798 521026707 /nfs/dbraw/zinc/02/67/07/521026707.db2.gz PLFOILFTHVSCAK-RWMBFGLXSA-N 2 0 212.381 2.530 10 0 BFAERP CC(C)(C[NH2+][C@H]1CCC[NH2+]CC1)C1=CCCC1 ZINC000308758931 527180700 /nfs/dbraw/zinc/18/07/00/527180700.db2.gz SPBYXBPROYUFLE-AWEZNQCLSA-N 2 0 236.403 2.855 10 0 BFAERP CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400767287 527680140 /nfs/dbraw/zinc/68/01/40/527680140.db2.gz ZKVQZQSVJVIJBY-STQMWFEESA-N 2 0 226.408 2.646 10 0 BFAERP CC(C)CC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400767282 527680811 /nfs/dbraw/zinc/68/08/11/527680811.db2.gz ZKVQZQSVJVIJBY-OLZOCXBDSA-N 2 0 226.408 2.646 10 0 BFAERP CCC1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400749772 527858491 /nfs/dbraw/zinc/85/84/91/527858491.db2.gz VHAHFEGIPKCAIT-RYSNWHEDSA-N 2 0 224.392 2.685 10 0 BFAERP CCC1CCC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400533089 527859594 /nfs/dbraw/zinc/85/95/94/527859594.db2.gz SFISQNSPMNPPLX-ZIHBUVQPSA-N 2 0 224.392 2.543 10 0 BFAERP C[N@H+](C[C@H]1CCCC(F)(F)C1)CC(C)(C)C[NH3+] ZINC000261538265 536443564 /nfs/dbraw/zinc/44/35/64/536443564.db2.gz UZZNVFVGDYAMOR-NSHDSACASA-N 2 0 248.361 2.729 10 0 BFAERP C[N@H+](C1CCCCC1)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675052896 566412293 /nfs/dbraw/zinc/41/22/93/566412293.db2.gz BXYTUQCTSFCWET-JSGCOSHPSA-N 2 0 224.392 2.768 10 0 BFAERP CCC[C@@H](C)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129893 582504892 /nfs/dbraw/zinc/50/48/92/582504892.db2.gz NBLUBLPWOUGPDM-UKRRQHHQSA-N 2 0 236.403 2.735 10 0 BFAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757219266 586442281 /nfs/dbraw/zinc/44/22/81/586442281.db2.gz WHJBCEFAIRGYGD-IXPVHAAZSA-N 2 0 243.354 2.556 10 0 BFAERP C[C@@H]1C[C@H](C)[NH2+][C@H](c2cccc(C[NH3+])c2)C1 ZINC000757220850 586442721 /nfs/dbraw/zinc/44/27/21/586442721.db2.gz ZQLNREFDEYJFBU-SUNKGSAMSA-N 2 0 218.344 2.594 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000400489066 631266049 /nfs/dbraw/zinc/26/60/49/631266049.db2.gz YQODAKSNEBIBIY-QEJZJMRPSA-N 2 0 238.419 2.933 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000400489065 631266635 /nfs/dbraw/zinc/26/66/35/631266635.db2.gz YQODAKSNEBIBIY-CFVMTHIKSA-N 2 0 238.419 2.933 10 0 BFAERP CC[NH+]1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000044517394 640399837 /nfs/dbraw/zinc/39/98/37/640399837.db2.gz CCJAUDHRPPMEPV-UHFFFAOYSA-N 2 0 246.398 2.551 10 0 BFAERP CCCCCC(C)(C)C[NH2+]C1CC[NH2+]CC1 ZINC000087398984 640884071 /nfs/dbraw/zinc/88/40/71/640884071.db2.gz NGIZSWGDGZQSEO-UHFFFAOYSA-N 2 0 226.408 2.935 10 0 BFAERP Cc1c[nH+]ccc1NCc1ccc(CC[NH3+])cc1 ZINC000070489729 642434525 /nfs/dbraw/zinc/43/45/25/642434525.db2.gz WDQQXZUNXKDQJX-UHFFFAOYSA-N 2 0 241.338 2.503 10 0 BFAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000084217554 644421231 /nfs/dbraw/zinc/42/12/31/644421231.db2.gz RVXBCNOONLEFSA-JSGCOSHPSA-N 2 0 224.392 2.816 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000714756668 712497510 /nfs/dbraw/zinc/49/75/10/712497510.db2.gz LDROWTIFFUYSGN-QWHCGFSZSA-N 2 0 224.392 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000714756670 712497518 /nfs/dbraw/zinc/49/75/18/712497518.db2.gz LDROWTIFFUYSGN-STQMWFEESA-N 2 0 224.392 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC000714752902 712497162 /nfs/dbraw/zinc/49/71/62/712497162.db2.gz DYESQBDKMLZRDA-GFCCVEGCSA-N 2 0 224.392 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000714759293 712497904 /nfs/dbraw/zinc/49/79/04/712497904.db2.gz PQYXGKRYHSJWKJ-ZDUSSCGKSA-N 2 0 232.371 2.951 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC[C@@H]2C ZINC000685954536 538899224 /nfs/dbraw/zinc/89/92/24/538899224.db2.gz NTFYYIIXNDEPSB-XDQVBPFNSA-N 2 0 224.392 2.624 10 0 BFAERP CC[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000685955068 538899722 /nfs/dbraw/zinc/89/97/22/538899722.db2.gz RWDCVWBVCJJKQE-MOKVOYLWSA-N 2 0 224.392 2.624 10 0 BFAERP C[C@](C[NH3+])([NH2+]Cc1ccccc1)[C@H]1CC1(C)C ZINC000307504805 398173498 /nfs/dbraw/zinc/17/34/98/398173498.db2.gz POVZAGUICUKKAG-DZGCQCFKSA-N 2 0 232.371 2.540 10 0 BFAERP CC(C)(C)CCC[NH2+]C1CCC([NH3+])CC1 ZINC000313298850 398191703 /nfs/dbraw/zinc/19/17/03/398191703.db2.gz NACXFBNNTUJBJO-UHFFFAOYSA-N 2 0 212.381 2.672 10 0 BFAERP CC(C)(C)CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000313299085 398191707 /nfs/dbraw/zinc/19/17/07/398191707.db2.gz NDTGVWNEBWMKAB-GFCCVEGCSA-N 2 0 212.381 2.544 10 0 BFAERP CC(C)C(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000576338141 365568985 /nfs/dbraw/zinc/56/89/85/365568985.db2.gz ROXIWVSUAWALEN-UONOGXRCSA-N 2 0 240.435 2.892 10 0 BFAERP CCC1(C)CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000229546807 538939544 /nfs/dbraw/zinc/93/95/44/538939544.db2.gz VSBPRJUTXNMCLK-STQMWFEESA-N 2 0 224.392 2.639 10 0 BFAERP CCC1(C)CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000229546824 538939308 /nfs/dbraw/zinc/93/93/08/538939308.db2.gz VSBPRJUTXNMCLK-OLZOCXBDSA-N 2 0 224.392 2.639 10 0 BFAERP C[N@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)C[NH3+] ZINC000381584115 398254025 /nfs/dbraw/zinc/25/40/25/398254025.db2.gz CGKPNIOZJVKERC-NSHDSACASA-N 2 0 248.361 2.729 10 0 BFAERP C[C@@H]1C[C@H](C)[C@H]([N@H+](C)Cc2ccccc2)[C@@H]([NH3+])C1 ZINC000227325885 344019461 /nfs/dbraw/zinc/01/94/61/344019461.db2.gz ZGWOISNBEOJKJB-VRKREXBASA-N 2 0 246.398 2.880 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000400373400 529650749 /nfs/dbraw/zinc/65/07/49/529650749.db2.gz UTYGWXHTVDSCGY-YUTCNCBUSA-N 2 0 224.392 2.543 10 0 BFAERP C=Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000409423396 343815422 /nfs/dbraw/zinc/81/54/22/343815422.db2.gz NYQCPQNYSAOCIV-HNNXBMFYSA-N 2 0 230.355 2.500 10 0 BFAERP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000634999019 345199347 /nfs/dbraw/zinc/19/93/47/345199347.db2.gz OXEMMGOJBZQOGZ-LRDDRELGSA-N 2 0 244.382 2.591 10 0 BFAERP [NH3+]CCCCCCCC[NH+]1CCCCC1 ZINC000136883665 345824541 /nfs/dbraw/zinc/82/45/41/345824541.db2.gz VRUVRIGKTLVDIA-UHFFFAOYSA-N 2 0 212.381 2.772 10 0 BFAERP Cc1cccc(C[N@@H+]2CCC[NH2+]C(C)(C)C2)c1 ZINC000062615844 179073817 /nfs/dbraw/zinc/07/38/17/179073817.db2.gz ZWQFDYCIOVSJQB-UHFFFAOYSA-N 2 0 232.371 2.569 10 0 BFAERP CCC[NH+](CCC)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054738 537975559 /nfs/dbraw/zinc/97/55/59/537975559.db2.gz YKKBXEHSVUQWQB-CHWSQXEVSA-N 2 0 212.381 2.626 10 0 BFAERP Cc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000053881032 179066781 /nfs/dbraw/zinc/06/67/81/179066781.db2.gz DSLPWEXLQZQVAO-CABCVRRESA-N 2 0 232.371 2.554 10 0 BFAERP Cc1cccc(C[NH+]2CC[C@H](C)[NH2+][C@@H](C)CC2)c1 ZINC000049666834 179082500 /nfs/dbraw/zinc/08/25/00/179082500.db2.gz PGAGQYLGGOMIOM-GJZGRUSLSA-N 2 0 246.398 2.957 10 0 BFAERP Cc1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000053859354 179270475 /nfs/dbraw/zinc/27/04/75/179270475.db2.gz BQHBBXURGOWSDM-HOTGVXAUSA-N 2 0 246.398 2.944 10 0 BFAERP Cc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000036127802 179269131 /nfs/dbraw/zinc/26/91/31/179269131.db2.gz QDNPXXFVVLHUEJ-ZBFHGGJFSA-N 2 0 246.398 2.944 10 0 BFAERP CCCN(CCC)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000669381878 537998372 /nfs/dbraw/zinc/99/83/72/537998372.db2.gz YSYDRHLBXRQJJF-MJBXVCDLSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@@]12CC[C@@](C)(C[C@@H]([NH3+])C1)[N@@H+]2Cc1ccccc1 ZINC000616582455 349295890 /nfs/dbraw/zinc/29/58/90/349295890.db2.gz PZHVCUVKRHQEDF-MUJYYYPQSA-N 2 0 244.382 2.921 10 0 BFAERP CC1(C)C[C@@H]([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000306842267 351156012 /nfs/dbraw/zinc/15/60/12/351156012.db2.gz BQXLIEFALFGDOQ-AWEZNQCLSA-N 2 0 232.371 2.636 10 0 BFAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307158311 351509662 /nfs/dbraw/zinc/50/96/62/351509662.db2.gz APCZMORMBBMDBL-BZUAXINKSA-N 2 0 244.382 2.507 10 0 BFAERP C[NH+](C)[C@@H]1CCCCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000606304170 351561474 /nfs/dbraw/zinc/56/14/74/351561474.db2.gz QXYNAXVCGREYHQ-BFHYXJOUSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)[NH+](C(C)C)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270228 538101933 /nfs/dbraw/zinc/10/19/33/538101933.db2.gz JAOZMUXNYPNBGM-MOKVOYLWSA-N 2 0 224.392 2.765 10 0 BFAERP C1CCC2(CC1)CNCC1(CCCCC1)[NH2+]2 ZINC000034581993 188098930 /nfs/dbraw/zinc/09/89/30/188098930.db2.gz ZOSPIRSWAQIPSU-UHFFFAOYSA-N 2 0 222.376 2.585 10 0 BFAERP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000037408409 188107454 /nfs/dbraw/zinc/10/74/54/188107454.db2.gz MAEUICXLNWNDNE-MELADBBJSA-N 2 0 236.403 2.639 10 0 BFAERP CC(C)C[C@H](C)[N@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000042584064 188120903 /nfs/dbraw/zinc/12/09/03/188120903.db2.gz SDMDBPKGZJAYET-LBPRGKRZSA-N 2 0 247.386 2.837 10 0 BFAERP CC(C)N(C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022215778 188179231 /nfs/dbraw/zinc/17/92/31/188179231.db2.gz YIVLHXBAOKLQDZ-LBPRGKRZSA-N 2 0 226.751 2.680 10 0 BFAERP CCN1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000040502060 358493019 /nfs/dbraw/zinc/49/30/19/358493019.db2.gz VQKKONCWCKSNCU-CQSZACIVSA-N 2 0 224.392 2.783 10 0 BFAERP CCN1CCC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000040502057 358493079 /nfs/dbraw/zinc/49/30/79/358493079.db2.gz HGSAGYNULMROEH-RUXDESIVSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@H]([NH2+]CC1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000414865258 191605615 /nfs/dbraw/zinc/60/56/15/191605615.db2.gz ZFSBRRSUBTVNGI-SHWKFHJASA-N 2 0 238.419 2.790 10 0 BFAERP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000390586293 357102121 /nfs/dbraw/zinc/10/21/21/357102121.db2.gz YIEGXIINZMXEQP-OLZOCXBDSA-N 2 0 226.408 2.743 10 0 BFAERP CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000582779547 357390400 /nfs/dbraw/zinc/39/04/00/357390400.db2.gz SPIAHDYBAORNQG-ZIAGYGMSSA-N 2 0 238.419 2.935 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000583078287 357473742 /nfs/dbraw/zinc/47/37/42/357473742.db2.gz KGAMYDHMBPKMIY-KBXIAJHMSA-N 2 0 238.419 2.933 10 0 BFAERP CCC[NH2+]CC[C@H]1CCCC[N@@H+]1CCC ZINC000584627510 358297385 /nfs/dbraw/zinc/29/73/85/358297385.db2.gz TZBDMTJNJIUJTR-CYBMUJFWSA-N 2 0 212.381 2.641 10 0 BFAERP CC[NH2+]CCCNc1cc[nH+]c2ccccc12 ZINC000041721409 358334864 /nfs/dbraw/zinc/33/48/64/358334864.db2.gz ZRZYLIBNVNDNQW-UHFFFAOYSA-N 2 0 229.327 2.646 10 0 BFAERP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000070281812 359048924 /nfs/dbraw/zinc/04/89/24/359048924.db2.gz NHYJZRVGCJQECM-HUUCEWRRSA-N 2 0 232.371 2.677 10 0 BFAERP CC(C)[C@H]([NH3+])CNc1cc[nH+]c2ccccc12 ZINC000070447970 359056434 /nfs/dbraw/zinc/05/64/34/359056434.db2.gz CKHJNXVCPQRCTL-GFCCVEGCSA-N 2 0 229.327 2.630 10 0 BFAERP CC(C)[C@@H]([NH3+])CNc1cc[nH+]c2ccccc12 ZINC000070447971 359056535 /nfs/dbraw/zinc/05/65/35/359056535.db2.gz CKHJNXVCPQRCTL-LBPRGKRZSA-N 2 0 229.327 2.630 10 0 BFAERP CCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000578497631 366580276 /nfs/dbraw/zinc/58/02/76/366580276.db2.gz PRFMLRCJXMKYIP-QWHCGFSZSA-N 2 0 224.392 2.544 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000578738350 366634423 /nfs/dbraw/zinc/63/44/23/366634423.db2.gz JDXVZWXRLBPHBA-MJBXVCDLSA-N 2 0 238.419 2.933 10 0 BFAERP [NH3+]C1CC[NH+](C2CCCCCCC2)CC1 ZINC000019441844 181343282 /nfs/dbraw/zinc/34/32/82/181343282.db2.gz CGRJQNUEEBXTSJ-UHFFFAOYSA-N 2 0 210.365 2.522 10 0 BFAERP [NH3+]CC1(N2CCC3(CCCC3)CC2)CCCC1 ZINC000062952696 181360477 /nfs/dbraw/zinc/36/04/77/181360477.db2.gz UCEHSZHLRUWBAK-UHFFFAOYSA-N 2 0 236.403 2.914 10 0 BFAERP C[C@H]1[C@@H]([NH3+])[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000101417968 368383998 /nfs/dbraw/zinc/38/39/98/368383998.db2.gz XHQDHKBQLIGGBO-OJKRMQCYSA-N 2 0 246.398 2.879 10 0 BFAERP CCC[C@H]1CCCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000310021600 370288464 /nfs/dbraw/zinc/28/84/64/370288464.db2.gz NOXDOZWPMNSGID-UONOGXRCSA-N 2 0 226.408 2.887 10 0 BFAERP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000310021599 370289186 /nfs/dbraw/zinc/28/91/86/370289186.db2.gz NOXDOZWPMNSGID-KGLIPLIRSA-N 2 0 226.408 2.887 10 0 BFAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]CC1(C)C ZINC000306566376 372037480 /nfs/dbraw/zinc/03/74/80/372037480.db2.gz ZLRSLXGSAZTYMF-CQSZACIVSA-N 2 0 232.371 2.507 10 0 BFAERP CCC[N@H+](Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000071250185 169175552 /nfs/dbraw/zinc/17/55/52/169175552.db2.gz JMFOTKKPQXAJFR-UHFFFAOYSA-N 2 0 238.350 2.905 10 0 BFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)C2CC2)CC1 ZINC000035732761 169191407 /nfs/dbraw/zinc/19/14/07/169191407.db2.gz VCROAMVATBMFRS-CHWSQXEVSA-N 2 0 238.419 2.885 10 0 BFAERP c1cc(C[NH+]2CCCCCC2)c(C[NH2+]C2CC2)o1 ZINC000052381891 183340544 /nfs/dbraw/zinc/34/05/44/183340544.db2.gz VQOOHECIYJNYML-UHFFFAOYSA-N 2 0 248.370 2.908 10 0 BFAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000076453351 169207664 /nfs/dbraw/zinc/20/76/64/169207664.db2.gz ZWYXTXUOOXQSAM-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP CCC[NH2+]C[C@](C)(CC)C[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104409516 169264979 /nfs/dbraw/zinc/26/49/79/169264979.db2.gz YYUQJSYKJZVJBX-KKUMJFAQSA-N 2 0 240.435 2.990 10 0 BFAERP CCC[NH2+]Cc1occc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543825 169269467 /nfs/dbraw/zinc/26/94/67/169269467.db2.gz YOBZIGGJOZJBFP-GXTWGEPZSA-N 2 0 248.370 2.764 10 0 BFAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCC[C@H](C)C1 ZINC000053861883 169282425 /nfs/dbraw/zinc/28/24/25/169282425.db2.gz LFDWXHQLXWXSSP-RRFJBIMHSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[C@@H](C)[N@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000036790817 169365332 /nfs/dbraw/zinc/36/53/32/169365332.db2.gz KNGBZBPKAWOVGZ-LLVKDONJSA-N 2 0 233.359 2.591 10 0 BFAERP CCN1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174820 384467906 /nfs/dbraw/zinc/46/79/06/384467906.db2.gz NPQZDQIRAIFJPU-GFCCVEGCSA-N 2 0 246.345 2.638 10 0 BFAERP FC1(F)CCCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335662743 384469094 /nfs/dbraw/zinc/46/90/94/384469094.db2.gz LWXODADFTCPMCF-RYUDHWBXSA-N 2 0 246.345 2.544 10 0 BFAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cccs1 ZINC000100256571 384628441 /nfs/dbraw/zinc/62/84/41/384628441.db2.gz HBBCVNYYJWJBFD-GARJFASQSA-N 2 0 224.373 2.669 10 0 BFAERP C[C@H](CCN1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000310155277 384867234 /nfs/dbraw/zinc/86/72/34/384867234.db2.gz GWHVSGLTTHFXRJ-UMVBOHGHSA-N 2 0 232.371 2.602 10 0 BFAERP CC(C)[C@@H]1C[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062615854 385246527 /nfs/dbraw/zinc/24/65/27/385246527.db2.gz UXJYGWHQMKGXHA-HNNXBMFYSA-N 2 0 232.371 2.507 10 0 BFAERP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]CC3)cc1 ZINC000096985140 385315191 /nfs/dbraw/zinc/31/51/91/385315191.db2.gz WJBVSOFJZOEPOL-INIZCTEOSA-N 2 0 244.382 2.652 10 0 BFAERP CCCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000171139000 385470137 /nfs/dbraw/zinc/47/01/37/385470137.db2.gz YFSHRLOCYOAADO-CQSZACIVSA-N 2 0 247.386 2.924 10 0 BFAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000405346064 385508475 /nfs/dbraw/zinc/50/84/75/385508475.db2.gz GKTGPRSRDYGXQV-MXWKQRLJSA-N 2 0 246.345 2.527 10 0 BFAERP CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)C[NH3+] ZINC000336677705 385610925 /nfs/dbraw/zinc/61/09/25/385610925.db2.gz QGRCNIRMWNJFIE-REWJHTLYSA-N 2 0 226.408 2.632 10 0 BFAERP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000309545947 385679971 /nfs/dbraw/zinc/67/99/71/385679971.db2.gz GWKCWKKJUFJDCZ-ZDUSSCGKSA-N 2 0 226.408 2.743 10 0 BFAERP CC(C)CC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000309648670 385767926 /nfs/dbraw/zinc/76/79/26/385767926.db2.gz WYEMYKBBPBGDKI-UHFFFAOYSA-N 2 0 224.392 2.639 10 0 BFAERP FC1(F)CCC(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000335023542 385985396 /nfs/dbraw/zinc/98/53/96/385985396.db2.gz QYMBRDHQGUPDHO-LBPRGKRZSA-N 2 0 246.345 2.544 10 0 BFAERP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C(C)(C)C ZINC000336770243 386010348 /nfs/dbraw/zinc/01/03/48/386010348.db2.gz VLHPIZVLMXEMFG-RYUDHWBXSA-N 2 0 214.397 2.598 10 0 BFAERP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C(C)(C)C ZINC000336742771 386248370 /nfs/dbraw/zinc/24/83/70/386248370.db2.gz SMTJSIQPJDEQQE-ZDUSSCGKSA-N 2 0 224.392 2.663 10 0 BFAERP c1ccc([C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)cc1 ZINC000575332126 386683020 /nfs/dbraw/zinc/68/30/20/386683020.db2.gz QQVJBDKBHYPDFV-CABCVRRESA-N 2 0 230.355 2.576 10 0 BFAERP C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1F ZINC000396578379 386780188 /nfs/dbraw/zinc/78/01/88/386780188.db2.gz ODYAKHZCVMQQQK-MISXGVKJSA-N 2 0 236.334 2.617 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000575439456 387123942 /nfs/dbraw/zinc/12/39/42/387123942.db2.gz MHUWKHLFRJTSSQ-SNVBAGLBSA-N 2 0 230.714 2.608 10 0 BFAERP Cc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1Cl ZINC000575438297 387129731 /nfs/dbraw/zinc/12/97/31/387129731.db2.gz HYFKFACTPWHAKS-LBPRGKRZSA-N 2 0 226.751 2.777 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2CCC23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423502180 387342840 /nfs/dbraw/zinc/34/28/40/387342840.db2.gz CIWAGLNXYXKLHD-HZSPNIEDSA-N 2 0 236.403 2.626 10 0 BFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[NH+](C)C ZINC000037021643 388581553 /nfs/dbraw/zinc/58/15/53/388581553.db2.gz YLYXBVPECNBOJJ-QLFBSQMISA-N 2 0 240.435 2.989 10 0 BFAERP C[C@H]([NH2+]CC[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000530217499 388630765 /nfs/dbraw/zinc/63/07/65/388630765.db2.gz BSQCNNAUEJJUPB-RRFJBIMHSA-N 2 0 236.403 2.711 10 0 BFAERP C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCC[NH2+]C1 ZINC000521858961 388634310 /nfs/dbraw/zinc/63/43/10/388634310.db2.gz HNRGZVBGJFKMSQ-MNOVXSKESA-N 2 0 246.345 2.542 10 0 BFAERP CC(C)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564826349 388891446 /nfs/dbraw/zinc/89/14/46/388891446.db2.gz OKSCECXOFCQAAX-CHWSQXEVSA-N 2 0 226.408 2.646 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858561 134370352 /nfs/dbraw/zinc/37/03/52/134370352.db2.gz GMBFJAQVPZEBLM-STQMWFEESA-N 2 0 226.408 2.885 10 0 BFAERP Cc1cc(NC[C@H]([NH3+])C(C)C)c2ccccc2[nH+]1 ZINC000070463578 134918939 /nfs/dbraw/zinc/91/89/39/134918939.db2.gz YZWBSKHEFMAIOR-ZDUSSCGKSA-N 2 0 243.354 2.938 10 0 BFAERP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000258664636 135132876 /nfs/dbraw/zinc/13/28/76/135132876.db2.gz DZOPCOFKOSRINW-CQSZACIVSA-N 2 0 232.371 2.554 10 0 BFAERP CC1(C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000261558053 135198535 /nfs/dbraw/zinc/19/85/35/135198535.db2.gz SESCNTBFDDUBMD-AWEZNQCLSA-N 2 0 230.355 2.568 10 0 BFAERP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261593231 135233481 /nfs/dbraw/zinc/23/34/81/135233481.db2.gz ZBBIWOJLTICHGV-OAHLLOKOSA-N 2 0 246.398 2.863 10 0 BFAERP CC(C)C[C@H]1CCCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262053635 135275728 /nfs/dbraw/zinc/27/57/28/135275728.db2.gz QLAZLZYMMIVHTQ-CABCVRRESA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)(C[NH2+]C1CCC([NH3+])CC1)C1CCC1 ZINC000258786180 398131759 /nfs/dbraw/zinc/13/17/59/398131759.db2.gz LYVDZKQTMFQVQE-UHFFFAOYSA-N 2 0 224.392 2.672 10 0 BFAERP CC(C)C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000053650132 167006396 /nfs/dbraw/zinc/00/63/96/167006396.db2.gz ISYKVQFHEDNAKL-OAHLLOKOSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc(Cl)s1 ZINC000258891729 322877887 /nfs/dbraw/zinc/87/78/87/322877887.db2.gz RDEOBXADFKMWQC-UHFFFAOYSA-N 2 0 232.780 2.619 10 0 BFAERP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H]1CCCN1C ZINC000308699488 409901841 /nfs/dbraw/zinc/90/18/41/409901841.db2.gz IJVXQQMKGGCFKJ-HZSPNIEDSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)[NH2+]Cc1ccc(C[NH+]2CCCC2)s1 ZINC000045206495 167118814 /nfs/dbraw/zinc/11/88/14/167118814.db2.gz FHRUIUIRTZYEMU-UHFFFAOYSA-N 2 0 238.400 2.842 10 0 BFAERP CC(C)c1ccc([C@@H](CC[NH3+])C[NH+](C)C)cc1 ZINC000076617361 167612144 /nfs/dbraw/zinc/61/21/44/167612144.db2.gz NANBBTMAXNRJTL-HNNXBMFYSA-N 2 0 234.387 2.804 10 0 BFAERP CC1([NH2+]CC2([NH3+])CCCC2)CCCCC1 ZINC000045047206 168063443 /nfs/dbraw/zinc/06/34/43/168063443.db2.gz PNBJXLTXGBNNTG-UHFFFAOYSA-N 2 0 210.365 2.570 10 0 BFAERP CC1CCC([N@@H+]2CCC[NH2+][C@@H](C)CC2)CC1 ZINC000049665429 168160619 /nfs/dbraw/zinc/16/06/19/168160619.db2.gz WAMPAMMDIIWPJJ-MOKVOYLWSA-N 2 0 224.392 2.639 10 0 BFAERP CC1CC[NH+]([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037156820 168186740 /nfs/dbraw/zinc/18/67/40/168186740.db2.gz NAAHPVUONYRANY-UONOGXRCSA-N 2 0 224.392 2.626 10 0 BFAERP CC[NH2+]C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000037242075 170108800 /nfs/dbraw/zinc/10/88/00/170108800.db2.gz TVVQWLVTKUMGBB-UHFFFAOYSA-N 2 0 224.392 2.639 10 0 BFAERP CC[NH2+]CCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000052346099 170111747 /nfs/dbraw/zinc/11/17/47/170111747.db2.gz NDNURJYOJYYMNJ-UHFFFAOYSA-N 2 0 238.350 2.647 10 0 BFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)CC)oc1C ZINC000052444052 170125510 /nfs/dbraw/zinc/12/55/10/170125510.db2.gz YXFHLBQQABYBNF-LLVKDONJSA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+]Cc1ccoc1C[N@H+](C)CC(C)(C)C ZINC000052570063 170129755 /nfs/dbraw/zinc/12/97/55/170129755.db2.gz FFHDWJBAKGPGHK-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CC[NH2+]Cc1occc1C[N@H+](C)C1CCCC1 ZINC000052444778 170132722 /nfs/dbraw/zinc/13/27/22/170132722.db2.gz FASGSBZMXOAYNJ-UHFFFAOYSA-N 2 0 236.359 2.764 10 0 BFAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000052340283 170152206 /nfs/dbraw/zinc/15/22/06/170152206.db2.gz JXIZOKLXUIKYRP-GXTWGEPZSA-N 2 0 224.392 2.639 10 0 BFAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000049710617 170152460 /nfs/dbraw/zinc/15/24/60/170152460.db2.gz BZARUEZFGVUCLD-BYNSBNAKSA-N 2 0 238.419 2.885 10 0 BFAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)CC(C)C ZINC000053865787 170152872 /nfs/dbraw/zinc/15/28/72/170152872.db2.gz QZVNIKRUZZBBNN-RBSFLKMASA-N 2 0 240.435 2.989 10 0 BFAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000054554554 170168775 /nfs/dbraw/zinc/16/87/75/170168775.db2.gz VOKMMLABFKQVCK-ILXRZTDVSA-N 2 0 238.419 2.885 10 0 BFAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)CC(C)C ZINC000053865788 170169145 /nfs/dbraw/zinc/16/91/45/170169145.db2.gz QZVNIKRUZZBBNN-KFWWJZLASA-N 2 0 240.435 2.989 10 0 BFAERP CC[C@@H]1CC[N@H+](CC2CCCC2)CCC[NH2+]1 ZINC000049665998 171008256 /nfs/dbraw/zinc/00/82/56/171008256.db2.gz WWMHGFUPBSSZBM-CQSZACIVSA-N 2 0 224.392 2.641 10 0 BFAERP CC[C@H](CC(F)F)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662266523 412058732 /nfs/dbraw/zinc/05/87/32/412058732.db2.gz ICIXVXLQVCYBIC-VXGBXAGGSA-N 2 0 248.361 2.742 10 0 BFAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000053861914 171055418 /nfs/dbraw/zinc/05/54/18/171055418.db2.gz RSZOKTKWEGNNMG-XGUBFFRZSA-N 2 0 238.419 2.872 10 0 BFAERP CC[C@H](C)[N@H+](CC)Cc1ccccc1C(N)=[NH2+] ZINC000037113332 171311969 /nfs/dbraw/zinc/31/19/69/171311969.db2.gz BQNHGKJJNXUBEN-NSHDSACASA-N 2 0 233.359 2.591 10 0 BFAERP CC[C@H](C)[N@H+](CCCC[NH2+]C(C)C)CCOC ZINC000042593343 171313505 /nfs/dbraw/zinc/31/35/05/171313505.db2.gz GMEYQYYAJSLJQL-AWEZNQCLSA-N 2 0 244.423 2.512 10 0 BFAERP C[N@@H+](Cc1cccc(C[NH3+])c1)CC1CCCC1 ZINC000042374979 172862718 /nfs/dbraw/zinc/86/27/18/172862718.db2.gz QPINZRWLBFJMCJ-UHFFFAOYSA-N 2 0 232.371 2.767 10 0 BFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1(C)CCCC1)C2 ZINC000104449710 173206530 /nfs/dbraw/zinc/20/65/30/173206530.db2.gz KBMQNBWERJEFSO-AGUYFDCRSA-N 2 0 236.403 2.782 10 0 BFAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]CCC(C)(C)C)C2 ZINC000061839586 173207444 /nfs/dbraw/zinc/20/74/44/173207444.db2.gz UCAQUWGVBRRYCY-AGUYFDCRSA-N 2 0 238.419 2.885 10 0 BFAERP C[NH2+]C1CC[NH+]([C@H](C)C2CCCCC2)CC1 ZINC000052340264 173324380 /nfs/dbraw/zinc/32/43/80/173324380.db2.gz NBXZNNMNEDLYRT-GFCCVEGCSA-N 2 0 224.392 2.639 10 0 BFAERP C[NH2+]CCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075979 173350831 /nfs/dbraw/zinc/35/08/31/173350831.db2.gz IAIHTBDKHCTEIZ-MRXNPFEDSA-N 2 0 246.398 2.898 10 0 BFAERP C[NH2+]Cc1cc(C[N@@H+]2CCCC2(C)C)oc1C ZINC000063073816 173386563 /nfs/dbraw/zinc/38/65/63/173386563.db2.gz MFOQIBPNMODWKF-UHFFFAOYSA-N 2 0 236.359 2.682 10 0 BFAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCCC2)c(C)o1 ZINC000052444998 173386787 /nfs/dbraw/zinc/38/67/87/173386787.db2.gz YJGPLPMIBQZRQD-UHFFFAOYSA-N 2 0 236.359 2.682 10 0 BFAERP C[NH2+]Cc1ccoc1C[NH+]1CCCCCCC1 ZINC000052424920 173391288 /nfs/dbraw/zinc/39/12/88/173391288.db2.gz KRIAOLARCAARJS-UHFFFAOYSA-N 2 0 236.359 2.765 10 0 BFAERP C[NH2+][C@@H]1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000053860987 173431241 /nfs/dbraw/zinc/43/12/41/173431241.db2.gz UPHCCRXTUIKUHS-LSDHHAIUSA-N 2 0 238.419 2.887 10 0 BFAERP COCC[N@H+](CCCCCCC[NH3+])CC(C)C ZINC000042370853 174291115 /nfs/dbraw/zinc/29/11/15/174291115.db2.gz JYTWLLNLOXJODV-UHFFFAOYSA-N 2 0 244.423 2.500 10 0 BFAERP C[C@@H]([NH3+])CCC[N@@H+]1CCCc2ccccc2C1 ZINC000062944565 175804750 /nfs/dbraw/zinc/80/47/50/175804750.db2.gz DJVUKOBHHKEQCR-CYBMUJFWSA-N 2 0 232.371 2.562 10 0 BFAERP C[C@@H]1CCCC[C@]1(CN)[N@H+](C)CC1CCC1 ZINC000061455522 176090582 /nfs/dbraw/zinc/09/05/82/176090582.db2.gz OBEWZWWXLVWHIY-TZMCWYRMSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H]1CCC[N@@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052375697 176109496 /nfs/dbraw/zinc/10/94/96/176109496.db2.gz XVHGMZVICMDNFC-LLVKDONJSA-N 2 0 234.343 2.516 10 0 BFAERP C[C@@H]1CCC[N@@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052375803 176110585 /nfs/dbraw/zinc/11/05/85/176110585.db2.gz WTNILDANGKCURG-LLVKDONJSA-N 2 0 234.343 2.516 10 0 BFAERP C[C@@H]1CCC[C@H]([N@H+](C)C2(CN)CCCC2)C1 ZINC000042492443 176140712 /nfs/dbraw/zinc/14/07/12/176140712.db2.gz DTXROVOXKHXSII-OLZOCXBDSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@@H]1CCC[C@](C[NH3+])([NH+]2Cc3ccccc3C2)C1 ZINC000050910666 176152250 /nfs/dbraw/zinc/15/22/50/176152250.db2.gz GKJFGKSYIVOKJJ-CJNGLKHVSA-N 2 0 244.382 2.910 10 0 BFAERP C[C@@H]1CC[NH+](C(C2CC2)C2CC2)CC[C@@H](C)[NH2+]1 ZINC000049668079 176165317 /nfs/dbraw/zinc/16/53/17/176165317.db2.gz VRCDSKMPWBGALP-VXGBXAGGSA-N 2 0 236.403 2.637 10 0 BFAERP C[C@H]1CCCC[N@@H+]1C1(CN)CCCCCC1 ZINC000019807659 177073650 /nfs/dbraw/zinc/07/36/50/177073650.db2.gz XPOLMUYZAIZNLK-ZDUSSCGKSA-N 2 0 224.392 2.913 10 0 BFAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053861510 177076317 /nfs/dbraw/zinc/07/63/17/177076317.db2.gz SHZMGOOGBKOOAC-IHRRRGAJSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000035731274 177076881 /nfs/dbraw/zinc/07/68/81/177076881.db2.gz SRTRUOKCHVSCLA-DZGCQCFKSA-N 2 0 232.371 2.603 10 0 BFAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccoc1C[NH3+] ZINC000052546710 177080856 /nfs/dbraw/zinc/08/08/56/177080856.db2.gz WRFAKEFUDJJVAN-AAEUAGOBSA-N 2 0 236.359 2.749 10 0 BFAERP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH3+])CC1 ZINC000104346201 177101755 /nfs/dbraw/zinc/10/17/55/177101755.db2.gz OQGNUPJNIHUNMG-ZDUSSCGKSA-N 2 0 232.371 2.767 10 0 BFAERP C[C@H]1CCC[N@@H+]1[C@]1(CN)CCCc2ccccc21 ZINC000037910342 177111860 /nfs/dbraw/zinc/11/18/60/177111860.db2.gz FDTMWXJYZDUXIJ-BBRMVZONSA-N 2 0 244.382 2.661 10 0 BFAERP C[C@H]1CCC[C@H]([N@H+](C)Cc2cc(C[NH3+])co2)C1 ZINC000052513883 177134247 /nfs/dbraw/zinc/13/42/47/177134247.db2.gz VCMAYTOTMMGBEM-AAEUAGOBSA-N 2 0 236.359 2.749 10 0 BFAERP C[C@H]1CC[N@H+](CC2CCCCC2)CCC[NH2+]1 ZINC000049666062 177158926 /nfs/dbraw/zinc/15/89/26/177158926.db2.gz BBCGJURSAZMECQ-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H](c1ccncc1)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049666702 177170280 /nfs/dbraw/zinc/17/02/80/177170280.db2.gz NOCQRURULMFUTP-IHRRRGAJSA-N 2 0 247.386 2.605 10 0 BFAERP C[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000051632024 177274931 /nfs/dbraw/zinc/27/49/31/177274931.db2.gz BULSVQZRDXQINU-VBNZEHGJSA-N 2 0 244.382 2.733 10 0 BFAERP C[C@H]1C[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096985061 177281543 /nfs/dbraw/zinc/28/15/43/177281543.db2.gz KXROMDOCFXOLRZ-AWEZNQCLSA-N 2 0 244.382 2.508 10 0 BFAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CC2(C)CCCC2)C1 ZINC000104442356 177285501 /nfs/dbraw/zinc/28/55/01/177285501.db2.gz LSZMLHXDAVBEHI-OKILXGFUSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]([NH3+])C(C)(C)C)C1 ZINC000054026888 177313850 /nfs/dbraw/zinc/31/38/50/177313850.db2.gz RRGYANIFFHSZQY-XQQFMLRXSA-N 2 0 226.408 2.728 10 0 BFAERP C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C[NH3+])c2)C1 ZINC000021951953 177358570 /nfs/dbraw/zinc/35/85/70/177358570.db2.gz QDIVFRZYKVUFLA-STQMWFEESA-N 2 0 232.371 2.623 10 0 BFAERP C[C@@H]1C([NH3+])[C@@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592757 177423689 /nfs/dbraw/zinc/42/36/89/177423689.db2.gz ZOZDGKPSUAGAMX-JYMWAKCPSA-N 2 0 246.398 2.879 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000400356526 225062705 /nfs/dbraw/zinc/06/27/05/225062705.db2.gz BJWUPPYFXNOKCI-YNEHKIRRSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400516422 226345721 /nfs/dbraw/zinc/34/57/21/226345721.db2.gz NCQYHWXSSPHPPL-JSGCOSHPSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000319545638 487674773 /nfs/dbraw/zinc/67/47/73/487674773.db2.gz NZHJOEAQYWRAGX-IMJJTQAJSA-N 2 0 246.398 2.705 10 0 BFAERP CCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400420641 528927894 /nfs/dbraw/zinc/92/78/94/528927894.db2.gz WSSQMGWTEKGDIU-MJBXVCDLSA-N 2 0 226.408 2.933 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000568988896 326383621 /nfs/dbraw/zinc/38/36/21/326383621.db2.gz ZBBRYUMDAJSCOQ-SRVKXCTJSA-N 2 0 246.345 2.542 10 0 BFAERP Cc1cscc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572749546 326408539 /nfs/dbraw/zinc/40/85/39/326408539.db2.gz OJAPBWZDZXPJCJ-NWDGAFQWSA-N 2 0 238.400 2.534 10 0 BFAERP Cc1ccc2[nH+]ccc(NC3CC[NH2+]CC3)c2c1 ZINC000073738613 487975933 /nfs/dbraw/zinc/97/59/33/487975933.db2.gz IGTRDVMFPFQSOW-UHFFFAOYSA-N 2 0 241.338 2.707 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH+](CC)CC)C[C@H]1C ZINC000242648564 519861961 /nfs/dbraw/zinc/86/19/61/519861961.db2.gz RAKQYTWEXQVFNT-CHWSQXEVSA-N 2 0 212.381 2.591 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757135073 582513902 /nfs/dbraw/zinc/51/39/02/582513902.db2.gz YEBXIPMPCHLBBV-UONOGXRCSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400501091 533843253 /nfs/dbraw/zinc/84/32/53/533843253.db2.gz IPASNHFNVUJVTN-JSGCOSHPSA-N 2 0 224.392 2.544 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242687947 519863710 /nfs/dbraw/zinc/86/37/10/519863710.db2.gz VAUFFIPHKXVWES-KGLIPLIRSA-N 2 0 224.392 2.735 10 0 BFAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000242495581 521715252 /nfs/dbraw/zinc/71/52/52/521715252.db2.gz GKEFCBIUTIWLNC-UKRRQHHQSA-N 2 0 232.371 2.649 10 0 BFAERP C[C@@H]1CCC[N@H+](CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000020071919 524229451 /nfs/dbraw/zinc/22/94/51/524229451.db2.gz QLTHMEKETMHHRP-UKRRQHHQSA-N 2 0 232.371 2.808 10 0 BFAERP C[C@H](C[C@H](C[NH3+])[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238856900 524640964 /nfs/dbraw/zinc/64/09/64/524640964.db2.gz XPOCUETWGWPYKX-FVQBIDKESA-N 2 0 246.398 2.897 10 0 BFAERP CC(C)C(C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400381199 527589115 /nfs/dbraw/zinc/58/91/15/527589115.db2.gz KHLMCZLNOFLWMS-QWHCGFSZSA-N 2 0 226.408 2.502 10 0 BFAERP CCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400420638 528927698 /nfs/dbraw/zinc/92/76/98/528927698.db2.gz WSSQMGWTEKGDIU-IHRRRGAJSA-N 2 0 226.408 2.933 10 0 BFAERP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517489 529126153 /nfs/dbraw/zinc/12/61/53/529126153.db2.gz GNQXTUZAQKUBIC-BMFZPTHFSA-N 2 0 246.398 2.971 10 0 BFAERP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400548472 529315866 /nfs/dbraw/zinc/31/58/66/529315866.db2.gz WQRYLGCHRAOHQX-CRWXNKLISA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400548474 529315963 /nfs/dbraw/zinc/31/59/63/529315963.db2.gz WQRYLGCHRAOHQX-MQYQWHSLSA-N 2 0 224.392 2.543 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757131012 582505993 /nfs/dbraw/zinc/50/59/93/582505993.db2.gz OXAPGDDMHKQIDJ-OCCSQVGLSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757134988 582513827 /nfs/dbraw/zinc/51/38/27/582513827.db2.gz XOKBWTOXJLXZPB-VNHYZAJKSA-N 2 0 236.403 2.782 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757134975 586427028 /nfs/dbraw/zinc/42/70/28/586427028.db2.gz XOKBWTOXJLXZPB-IPYPFGDCSA-N 2 0 236.403 2.782 10 0 BFAERP C[C@@H]1C[C@@H](C)[NH2+][C@H](c2cccc(C[NH3+])c2)C1 ZINC000757220843 586442838 /nfs/dbraw/zinc/44/28/38/586442838.db2.gz ZQLNREFDEYJFBU-GYSYKLTISA-N 2 0 218.344 2.594 10 0 BFAERP C[C@H]1CC[NH2+]C[C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757243118 586445040 /nfs/dbraw/zinc/44/50/40/586445040.db2.gz ZKQAIWHQVSVHJT-MEDUHNTESA-N 2 0 244.382 2.736 10 0 BFAERP CSCCCCCC[NH2+]C1CCC([NH3+])CC1 ZINC000235102319 635566956 /nfs/dbraw/zinc/56/69/56/635566956.db2.gz AQFJVTKLHMXHKA-UHFFFAOYSA-N 2 0 244.448 2.769 10 0 BFAERP C[C@@H]1C[C@H](c2ccc(C3CC3)c(C[NH3+])c2)CC[NH2+]1 ZINC000757243098 644865720 /nfs/dbraw/zinc/86/57/20/644865720.db2.gz ZKDJGZZUNJTRIA-BXUZGUMPSA-N 2 0 244.382 2.878 10 0 BFAERP C[N@@H+]1CCCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000700814642 712007188 /nfs/dbraw/zinc/00/71/88/712007188.db2.gz ABPJJOQEIQGNFS-INIZCTEOSA-N 2 0 246.398 2.551 10 0 BFAERP C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000712502446 712432168 /nfs/dbraw/zinc/43/21/68/712432168.db2.gz HJKNNVGYAYXKEM-CAEXGNQWSA-N 2 0 236.403 2.543 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H](C(C)C)C2CC2)CC1 ZINC000714757593 712497658 /nfs/dbraw/zinc/49/76/58/712497658.db2.gz AGMJJQBCZKPMQW-ZDUSSCGKSA-N 2 0 224.392 2.624 10 0 BFAERP CC[C@@H]1CCC[C@@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753665 712497792 /nfs/dbraw/zinc/49/77/92/712497792.db2.gz MYIOMZBFJGBKPS-OLZOCXBDSA-N 2 0 224.392 2.768 10 0 BFAERP Cc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000302586142 178183501 /nfs/dbraw/zinc/18/35/01/178183501.db2.gz UVHYAOPFVHHGQS-SMDDNHRTSA-N 2 0 233.359 2.531 10 0 BFAERP Cc1cc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000049509042 178243766 /nfs/dbraw/zinc/24/37/66/178243766.db2.gz RBVFQYUMYQWYEU-CMPLNLGQSA-N 2 0 238.400 2.707 10 0 BFAERP CCC(CC)[N@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036789188 168368760 /nfs/dbraw/zinc/36/87/60/168368760.db2.gz IHKNSQHVLRXYDH-UHFFFAOYSA-N 2 0 233.359 2.591 10 0 BFAERP CCC(CC)[N@H+](C)Cc1cc(C)c(C[NH2+]C)o1 ZINC000052478288 168369092 /nfs/dbraw/zinc/36/90/92/168369092.db2.gz TYSYRRMHGFRMBJ-UHFFFAOYSA-N 2 0 238.375 2.928 10 0 BFAERP CCC(CC)N1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601433 168375906 /nfs/dbraw/zinc/37/59/06/168375906.db2.gz QSGRTSVRNTYTPQ-QXMXGUDHSA-N 2 0 224.392 2.780 10 0 BFAERP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000042585627 538978054 /nfs/dbraw/zinc/97/80/54/538978054.db2.gz CXACZWZWKVNPBP-GXTWGEPZSA-N 2 0 226.408 2.741 10 0 BFAERP CCC(CC)[C@@H](C[NH3+])N(CC)Cc1ccncc1 ZINC000042515372 168399615 /nfs/dbraw/zinc/39/96/15/168399615.db2.gz GINJOOGLCDTWQO-OAHLLOKOSA-N 2 0 249.402 2.667 10 0 BFAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000400373398 529666155 /nfs/dbraw/zinc/66/61/55/529666155.db2.gz UTYGWXHTVDSCGY-XBFCOCLRSA-N 2 0 224.392 2.543 10 0 BFAERP Cc1cc([C@@H]2C[C@H]([NH3+])CCN2C)ccc1Cl ZINC000675054016 537890707 /nfs/dbraw/zinc/89/07/07/537890707.db2.gz LJYLKSVFFRRPIM-YPMHNXCESA-N 2 0 238.762 2.742 10 0 BFAERP CCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635020829 345223270 /nfs/dbraw/zinc/22/32/70/345223270.db2.gz MKRYVSONZKWAMX-CHWSQXEVSA-N 2 0 226.408 2.790 10 0 BFAERP CCC(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000635020830 345223456 /nfs/dbraw/zinc/22/34/56/345223456.db2.gz MKRYVSONZKWAMX-OLZOCXBDSA-N 2 0 226.408 2.790 10 0 BFAERP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000381327971 345333056 /nfs/dbraw/zinc/33/30/56/345333056.db2.gz RTJRINPTXLRMLF-MCIONIFRSA-N 2 0 226.408 2.743 10 0 BFAERP Cc1cccc(C[N@@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)c1 ZINC000049666832 179082376 /nfs/dbraw/zinc/08/23/76/179082376.db2.gz PGAGQYLGGOMIOM-GASCZTMLSA-N 2 0 246.398 2.957 10 0 BFAERP CC[NH+](CC)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669380133 537984756 /nfs/dbraw/zinc/98/47/56/537984756.db2.gz QGYXKDPKEIGTFL-UHFFFAOYSA-N 2 0 226.751 2.641 10 0 BFAERP C[C@H]([NH2+]CC1(C)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000580181419 346616788 /nfs/dbraw/zinc/61/67/88/346616788.db2.gz RIIJJNXZRCIWNZ-STQMWFEESA-N 2 0 224.392 2.544 10 0 BFAERP Cc1ccccc1C[N@H+](C)CCCCC(N)=[NH2+] ZINC000049579773 179270789 /nfs/dbraw/zinc/27/07/89/179270789.db2.gz OFAONQQRDDKMBX-UHFFFAOYSA-N 2 0 233.359 2.533 10 0 BFAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000062622391 179274501 /nfs/dbraw/zinc/27/45/01/179274501.db2.gz PUDVELGVVIFUOB-INIZCTEOSA-N 2 0 246.398 2.815 10 0 BFAERP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049667717 179318153 /nfs/dbraw/zinc/31/81/53/179318153.db2.gz QHXCTDGYGCHMKU-DZGCQCFKSA-N 2 0 246.398 2.987 10 0 BFAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(C)C ZINC000037610408 350273161 /nfs/dbraw/zinc/27/31/61/350273161.db2.gz OPMLXOCXAGGXPK-UHFFFAOYSA-N 2 0 234.387 2.895 10 0 BFAERP CC[N@H+](Cc1ccccc1)[C@@H](C)CCC[NH2+]C ZINC000052443785 351001282 /nfs/dbraw/zinc/00/12/82/351001282.db2.gz BNDSTKIIYJQFQW-AWEZNQCLSA-N 2 0 234.387 2.897 10 0 BFAERP CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616679762 351245987 /nfs/dbraw/zinc/24/59/87/351245987.db2.gz WWHFACPIYGHROJ-CQSZACIVSA-N 2 0 232.371 2.733 10 0 BFAERP CCN1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000040502059 358493344 /nfs/dbraw/zinc/49/33/44/358493344.db2.gz VQKKONCWCKSNCU-AWEZNQCLSA-N 2 0 224.392 2.783 10 0 BFAERP CCN1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000040502042 358492817 /nfs/dbraw/zinc/49/28/17/358492817.db2.gz ZFSMJJUDDVODKR-OAHLLOKOSA-N 2 0 232.371 2.569 10 0 BFAERP NC(=[NH2+])CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049579747 181186918 /nfs/dbraw/zinc/18/69/18/181186918.db2.gz ITUZNGOCMLAHDW-QWHCGFSZSA-N 2 0 237.391 2.605 10 0 BFAERP NC(=[NH2+])C[NH+](C1CCCCC1)C1CCCCC1 ZINC000039018734 181187019 /nfs/dbraw/zinc/18/70/19/181187019.db2.gz ZMKDUMWQZLPMTF-UHFFFAOYSA-N 2 0 237.391 2.890 10 0 BFAERP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415016177 191650791 /nfs/dbraw/zinc/65/07/91/191650791.db2.gz BSUNHPDBZAVRKQ-AGIUHOORSA-N 2 0 226.408 2.918 10 0 BFAERP CCN1CC[C@H]([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000389271224 355938848 /nfs/dbraw/zinc/93/88/48/355938848.db2.gz RAYBTFJDZJYXOA-AAEUAGOBSA-N 2 0 238.400 2.801 10 0 BFAERP CC[N@H+](CC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000137502786 356436184 /nfs/dbraw/zinc/43/61/84/356436184.db2.gz CCBRQAPNJYDIQY-HNNXBMFYSA-N 2 0 232.371 2.636 10 0 BFAERP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000390586292 357102800 /nfs/dbraw/zinc/10/28/00/357102800.db2.gz YIEGXIINZMXEQP-CHWSQXEVSA-N 2 0 226.408 2.743 10 0 BFAERP CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CCCC1 ZINC000582779545 357390672 /nfs/dbraw/zinc/39/06/72/357390672.db2.gz SPIAHDYBAORNQG-KGLIPLIRSA-N 2 0 238.419 2.935 10 0 BFAERP CC(C)[NH2+]C[C@H](C[NH3+])C1CCCCCC1 ZINC000685946078 538887537 /nfs/dbraw/zinc/88/75/37/538887537.db2.gz DBAJOOBSICMRTF-ZDUSSCGKSA-N 2 0 212.381 2.530 10 0 BFAERP Cc1c[nH+]ccc1N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000192680096 357847012 /nfs/dbraw/zinc/84/70/12/357847012.db2.gz AJWRORDXUWZQCE-JSGCOSHPSA-N 2 0 233.359 2.531 10 0 BFAERP CC[C@@H]1CC[C@H](CC[NH+]2CCCCC2)[NH2+]C1 ZINC000584651784 358306760 /nfs/dbraw/zinc/30/67/60/358306760.db2.gz HKFNEEYBHYYRTG-ZIAGYGMSSA-N 2 0 224.392 2.641 10 0 BFAERP CC[C@H]1CC[C@@H](CC[NH+]2CCCCC2)[NH2+]C1 ZINC000584651781 358306969 /nfs/dbraw/zinc/30/69/69/358306969.db2.gz HKFNEEYBHYYRTG-KBPBESRZSA-N 2 0 224.392 2.641 10 0 BFAERP CCC[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000134765255 358804920 /nfs/dbraw/zinc/80/49/20/358804920.db2.gz XUFYTJTXECUFCS-JSGCOSHPSA-N 2 0 224.392 2.637 10 0 BFAERP CC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000306603859 360532277 /nfs/dbraw/zinc/53/22/77/360532277.db2.gz XXDDAPSXPJJOQQ-DOMZBBRYSA-N 2 0 245.370 2.626 10 0 BFAERP [NH3+]C1(C[N@@H+]2CCCc3ccccc3C2)CCCC1 ZINC000062946180 181330301 /nfs/dbraw/zinc/33/03/01/181330301.db2.gz VDAWJOBGSFXJIL-UHFFFAOYSA-N 2 0 244.382 2.706 10 0 BFAERP C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC000629555334 361445978 /nfs/dbraw/zinc/44/59/78/361445978.db2.gz UZHWAXDTTAWGCE-BFHYXJOUSA-N 2 0 236.403 2.544 10 0 BFAERP CCCC[N@@H+]1CCCCCC[NH2+]CCC1 ZINC000725262385 541335496 /nfs/dbraw/zinc/33/54/96/541335496.db2.gz ZYTVPPSKHJCZCY-UHFFFAOYSA-N 2 0 212.381 2.642 10 0 BFAERP [NH3+]CC1(N(Cc2ccco2)C2CC2)CCCCC1 ZINC000042692833 181360610 /nfs/dbraw/zinc/36/06/10/181360610.db2.gz AIIULECHBFDBPX-UHFFFAOYSA-N 2 0 248.370 2.906 10 0 BFAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000168491369 364940183 /nfs/dbraw/zinc/94/01/83/364940183.db2.gz CYYKLSOZIHMJDI-IPYPFGDCSA-N 2 0 238.419 2.883 10 0 BFAERP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000574069924 364981358 /nfs/dbraw/zinc/98/13/58/364981358.db2.gz DDLDDJNPZZIDDJ-BZPMIXESSA-N 2 0 224.392 2.543 10 0 BFAERP [NH3+]CCCN(c1ccccc1)c1cc[nH+]cc1 ZINC000036730303 181380189 /nfs/dbraw/zinc/38/01/89/181380189.db2.gz OFZSMUAVQVAYRT-UHFFFAOYSA-N 2 0 227.311 2.569 10 0 BFAERP [NH3+]CCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000082343867 181385501 /nfs/dbraw/zinc/38/55/01/181385501.db2.gz DYOLSWARDAFROU-HNNXBMFYSA-N 2 0 232.371 2.780 10 0 BFAERP N#CCC[NH2+]CCCCCCCCCC[NH3+] ZINC000381028036 367336964 /nfs/dbraw/zinc/33/69/64/367336964.db2.gz YRRFKLMYTBCCSA-UHFFFAOYSA-N 2 0 225.380 2.569 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000386199709 367927074 /nfs/dbraw/zinc/92/70/74/367927074.db2.gz FMHQZWZMWOQWJM-FRRDWIJNSA-N 2 0 226.408 2.918 10 0 BFAERP CCC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000310021601 370289147 /nfs/dbraw/zinc/28/91/47/370289147.db2.gz NOXDOZWPMNSGID-ZIAGYGMSSA-N 2 0 226.408 2.887 10 0 BFAERP CCC[N@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC000037469616 169091175 /nfs/dbraw/zinc/09/11/75/169091175.db2.gz YDDSAOPYZFNNLM-UHFFFAOYSA-N 2 0 224.392 2.783 10 0 BFAERP CCC[NH+](CCC)Cc1cc(C[NH3+])ccc1F ZINC000019395887 169148554 /nfs/dbraw/zinc/14/85/54/169148554.db2.gz UJJOBOOZDOOODS-UHFFFAOYSA-N 2 0 238.350 2.906 10 0 BFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C2CC2)C1 ZINC000035732772 169195269 /nfs/dbraw/zinc/19/52/69/169195269.db2.gz XLUWSAUPXIBCAU-GZBFAFLISA-N 2 0 238.419 2.885 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655925 169206382 /nfs/dbraw/zinc/20/63/82/169206382.db2.gz VAUFFIPHKXVWES-UONOGXRCSA-N 2 0 224.392 2.735 10 0 BFAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000052417417 169261256 /nfs/dbraw/zinc/26/12/56/169261256.db2.gz CWVPLUPWDUNKGT-CQSZACIVSA-N 2 0 234.387 2.754 10 0 BFAERP CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000082646685 169286214 /nfs/dbraw/zinc/28/62/14/169286214.db2.gz RDANJHDVDQPYMF-ZIAGYGMSSA-N 2 0 226.408 2.743 10 0 BFAERP CCC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000052417418 169264107 /nfs/dbraw/zinc/26/41/07/169264107.db2.gz CWVPLUPWDUNKGT-AWEZNQCLSA-N 2 0 234.387 2.754 10 0 BFAERP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)CC2)cc1 ZINC000096895220 183397978 /nfs/dbraw/zinc/39/79/78/183397978.db2.gz UUTZVMXCEQSCSH-MRXNPFEDSA-N 2 0 244.382 2.652 10 0 BFAERP c1ccc(C[N@@H+]2CCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC000096985039 183399391 /nfs/dbraw/zinc/39/93/91/183399391.db2.gz OLCFMFDATJAITK-INIZCTEOSA-N 2 0 244.382 2.651 10 0 BFAERP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000061484488 169282295 /nfs/dbraw/zinc/28/22/95/169282295.db2.gz PXKCOKFCROHHQQ-LSDHHAIUSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000061484491 169291407 /nfs/dbraw/zinc/29/14/07/169291407.db2.gz PXKCOKFCROHHQQ-GJZGRUSLSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C)c(C[NH2+]C)o1 ZINC000052480824 169365054 /nfs/dbraw/zinc/36/50/54/169365054.db2.gz GOVRQGZZOJQDMF-GFCCVEGCSA-N 2 0 238.375 2.928 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592873 384002272 /nfs/dbraw/zinc/00/22/72/384002272.db2.gz UKWBVZXKIFQVBE-GUIRCDHDSA-N 2 0 232.371 2.633 10 0 BFAERP C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]([NH3+])[C@H]1C ZINC000068593249 384001705 /nfs/dbraw/zinc/00/17/05/384001705.db2.gz XHQDHKBQLIGGBO-AQRJEWBLSA-N 2 0 246.398 2.879 10 0 BFAERP [NH3+]C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000100279304 384630822 /nfs/dbraw/zinc/63/08/22/384630822.db2.gz HCOHDXPCJRZNOY-HZPDHXFCSA-N 2 0 244.382 2.638 10 0 BFAERP CC(C)=CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178293140 385349872 /nfs/dbraw/zinc/34/98/72/385349872.db2.gz FRHZYBBTMYNYPN-AWEZNQCLSA-N 2 0 233.359 2.622 10 0 BFAERP CC(C)=CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178293159 385350012 /nfs/dbraw/zinc/35/00/12/385350012.db2.gz FRHZYBBTMYNYPN-CQSZACIVSA-N 2 0 233.359 2.622 10 0 BFAERP CC(C)[C@]1([NH3+])CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575561931 386026424 /nfs/dbraw/zinc/02/64/24/386026424.db2.gz XBTFVRGKTNACEL-DZGCQCFKSA-N 2 0 232.371 2.634 10 0 BFAERP C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1F ZINC000396578367 386782443 /nfs/dbraw/zinc/78/24/43/386782443.db2.gz ODYAKHZCVMQQQK-COPLHBTASA-N 2 0 236.334 2.617 10 0 BFAERP CC(C)(C)C1CC([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335003543 387097522 /nfs/dbraw/zinc/09/75/22/387097522.db2.gz AISHYPXRKXLVCH-UHFFFAOYSA-N 2 0 224.392 2.671 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000575439134 387121491 /nfs/dbraw/zinc/12/14/91/387121491.db2.gz PXHAKRPTINCKGH-LLVKDONJSA-N 2 0 230.714 2.608 10 0 BFAERP CC(C)c1ccc([C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000575440141 387127763 /nfs/dbraw/zinc/12/77/63/387127763.db2.gz KGPWTHYKXMAATJ-AWEZNQCLSA-N 2 0 220.360 2.939 10 0 BFAERP Cc1cc([C@H]([NH3+])CCCC[NH3+])ccc1Cl ZINC000575438356 387129583 /nfs/dbraw/zinc/12/95/83/387129583.db2.gz HYFKFACTPWHAKS-GFCCVEGCSA-N 2 0 226.751 2.777 10 0 BFAERP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1ccccc1 ZINC000575505323 387373385 /nfs/dbraw/zinc/37/33/85/387373385.db2.gz YBTKGPYTRITDJO-KFWWJZLASA-N 2 0 244.382 2.553 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422711015 387625103 /nfs/dbraw/zinc/62/51/03/387625103.db2.gz MPFRJYDIMJWYFW-STQMWFEESA-N 2 0 232.371 2.562 10 0 BFAERP C[C@H](CCCC[NH3+])Nc1ccc2ccccc2n1 ZINC000336789779 387561031 /nfs/dbraw/zinc/56/10/31/387561031.db2.gz KANZVWRODZWSEY-GFCCVEGCSA-N 2 0 243.354 2.586 10 0 BFAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422749395 387653086 /nfs/dbraw/zinc/65/30/86/387653086.db2.gz YXWAUCKZCBAQAD-VHSXEESVSA-N 2 0 238.762 2.599 10 0 BFAERP Cc1cc(NC[C@H](C)C[NH3+])c2ccccc2[nH+]1 ZINC000086634469 388106002 /nfs/dbraw/zinc/10/60/02/388106002.db2.gz SBPNSNKBBFWEAH-SNVBAGLBSA-N 2 0 229.327 2.550 10 0 BFAERP C[C@H](CN)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000235463278 388369401 /nfs/dbraw/zinc/36/94/01/388369401.db2.gz KTKJVKZHPLPTNH-WOPDTQHZSA-N 2 0 212.381 2.528 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000310382812 388481419 /nfs/dbraw/zinc/48/14/19/388481419.db2.gz PTDQKOXQXOYTSL-QKGCVVFFSA-N 2 0 238.419 2.728 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000516642931 388512885 /nfs/dbraw/zinc/51/28/85/388512885.db2.gz FFBNNZOOHFHRBZ-RWMBFGLXSA-N 2 0 224.392 2.543 10 0 BFAERP CC(C)C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000564826351 388891083 /nfs/dbraw/zinc/89/10/83/388891083.db2.gz OKSCECXOFCQAAX-OLZOCXBDSA-N 2 0 226.408 2.646 10 0 BFAERP C[C@@H]([NH2+]CC1(C)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400549042 533355635 /nfs/dbraw/zinc/35/56/35/533355635.db2.gz WWSWFWJGSTYERU-CHWSQXEVSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)(C)[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1 ZINC000053700304 132363175 /nfs/dbraw/zinc/36/31/75/132363175.db2.gz JXRPQFVMHFVBSJ-AWEZNQCLSA-N 2 0 247.386 2.829 10 0 BFAERP CC[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000227327600 134377900 /nfs/dbraw/zinc/37/79/00/134377900.db2.gz IUGKDUMMUNYCRN-KBPBESRZSA-N 2 0 238.419 2.887 10 0 BFAERP Cc1c[nH+]ccc1N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248657381 135018849 /nfs/dbraw/zinc/01/88/49/135018849.db2.gz AJWRORDXUWZQCE-OCCSQVGLSA-N 2 0 233.359 2.531 10 0 BFAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693664 135074824 /nfs/dbraw/zinc/07/48/24/135074824.db2.gz HIGOYBITTZSPDV-CBBWQLFWSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000258678891 135133538 /nfs/dbraw/zinc/13/35/38/135133538.db2.gz FYBGQZDDQIUBSQ-HNNXBMFYSA-N 2 0 246.398 2.863 10 0 BFAERP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258919320 135135450 /nfs/dbraw/zinc/13/54/50/135135450.db2.gz WLBXKQJPWUMABT-CQSZACIVSA-N 2 0 232.371 2.554 10 0 BFAERP CCc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261591643 135231816 /nfs/dbraw/zinc/23/18/16/135231816.db2.gz XXIDEYNPIHUASX-OAHLLOKOSA-N 2 0 246.398 2.808 10 0 BFAERP CC(C)C[C@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262053639 135276009 /nfs/dbraw/zinc/27/60/09/135276009.db2.gz QLAZLZYMMIVHTQ-HUUCEWRRSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)C[NH2+][C@H]1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000073654334 167015112 /nfs/dbraw/zinc/01/51/12/167015112.db2.gz RPYGRNVBGBBXJN-KBPBESRZSA-N 2 0 226.408 2.598 10 0 BFAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccco1 ZINC000052456805 167103066 /nfs/dbraw/zinc/10/30/66/167103066.db2.gz ZJVOGVYXYTWIEN-ZDUSSCGKSA-N 2 0 238.375 2.878 10 0 BFAERP C[C@H]([NH3+])CC[NH2+]Cc1csc2ccccc12 ZINC000258844306 322878661 /nfs/dbraw/zinc/87/86/61/322878661.db2.gz WOIPDYLVHKZDKF-JTQLQIEISA-N 2 0 234.368 2.728 10 0 BFAERP CC(C)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC000053660713 167002992 /nfs/dbraw/zinc/00/29/92/167002992.db2.gz DPZMRRPWGKKWQO-UHFFFAOYSA-N 2 0 226.408 2.600 10 0 BFAERP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012603 167112582 /nfs/dbraw/zinc/11/25/82/167112582.db2.gz TZNNXASWEMWYDQ-ZDUSSCGKSA-N 2 0 224.392 2.639 10 0 BFAERP CC[NH+](CC)[C@H](CC[NH3+])c1ccc(F)cc1 ZINC000019673502 169801289 /nfs/dbraw/zinc/80/12/89/169801289.db2.gz JNUVUHFZZIUASL-CYBMUJFWSA-N 2 0 224.323 2.557 10 0 BFAERP CC1(C)CC[NH+](C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503401 167921082 /nfs/dbraw/zinc/92/10/82/167921082.db2.gz BCVZEMYCOSSYSX-QWHCGFSZSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362912 411361512 /nfs/dbraw/zinc/36/15/12/411361512.db2.gz YWASRZWMGFHSGW-QWHCGFSZSA-N 2 0 226.408 2.743 10 0 BFAERP CC1(C[NH2+]CCC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000104436495 168040426 /nfs/dbraw/zinc/04/04/26/168040426.db2.gz XRAAOASOUNURRS-AWEZNQCLSA-N 2 0 238.419 2.936 10 0 BFAERP CC1CCC(C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000063145134 168154825 /nfs/dbraw/zinc/15/48/25/168154825.db2.gz QVEYWUKPDLEVNG-UHFFFAOYSA-N 2 0 238.419 2.888 10 0 BFAERP CC1CCC([N@H+](C)C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053878822 168160406 /nfs/dbraw/zinc/16/04/06/168160406.db2.gz BMIPOLVXFZPTTJ-YIOUJQMASA-N 2 0 224.392 2.624 10 0 BFAERP CC1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952248 168180034 /nfs/dbraw/zinc/18/00/34/168180034.db2.gz ODJCFRHOYXMJIF-CQSZACIVSA-N 2 0 224.392 2.641 10 0 BFAERP CC1CC[NH+](Cc2cc(C[NH3+])ccc2F)CC1 ZINC000019390656 168184238 /nfs/dbraw/zinc/18/42/38/168184238.db2.gz URADEHZDACYRPX-UHFFFAOYSA-N 2 0 236.334 2.516 10 0 BFAERP CCC(C)(C)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049664993 168287444 /nfs/dbraw/zinc/28/74/44/168287444.db2.gz JSKUMFPFCSZXFU-RYUDHWBXSA-N 2 0 212.381 2.637 10 0 BFAERP CC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000037259769 170108435 /nfs/dbraw/zinc/10/84/35/170108435.db2.gz QBHXZRVDGOSSBR-UHFFFAOYSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+]CCCCC[N@H+](C)Cc1ccccc1 ZINC000052417511 170112072 /nfs/dbraw/zinc/11/20/72/170112072.db2.gz QGTNMAIWQLDGAG-UHFFFAOYSA-N 2 0 234.387 2.898 10 0 BFAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035311 170122606 /nfs/dbraw/zinc/12/26/06/170122606.db2.gz IADXMXBYJQNSHP-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)CC)oc1C ZINC000052444053 170125869 /nfs/dbraw/zinc/12/58/69/170125869.db2.gz YXFHLBQQABYBNF-NSHDSACASA-N 2 0 238.375 2.928 10 0 BFAERP CC[NH2+]Cc1cc(C[N@H+](C)CC(C)C)oc1C ZINC000052452574 170125891 /nfs/dbraw/zinc/12/58/91/170125891.db2.gz VLQQKKWRAQTNDF-UHFFFAOYSA-N 2 0 238.375 2.785 10 0 BFAERP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+]1CC[C@H](C)C1 ZINC000053870453 170150571 /nfs/dbraw/zinc/15/05/71/170150571.db2.gz MDSAMEITJAJMGC-SOUVJXGZSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000061822430 170150655 /nfs/dbraw/zinc/15/06/55/170150655.db2.gz ORVNDACZASEICM-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709159 170151254 /nfs/dbraw/zinc/15/12/54/170151254.db2.gz KSRQTBOKLHOSTC-NWDGAFQWSA-N 2 0 212.381 2.637 10 0 BFAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709737 170151376 /nfs/dbraw/zinc/15/13/76/170151376.db2.gz CWWWIQYQLUGTSW-OOJKYFRXSA-N 2 0 238.419 2.885 10 0 BFAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709194 170151863 /nfs/dbraw/zinc/15/18/63/170151863.db2.gz YZFSQMAXHQTNAB-CHWSQXEVSA-N 2 0 224.392 2.782 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000049708912 170152299 /nfs/dbraw/zinc/15/22/99/170152299.db2.gz WFBMQFPSDYQANQ-GOEBONIOSA-N 2 0 246.398 2.549 10 0 BFAERP CC[NH2+][C@H]1CCCCC[C@H]1C[N@H+](C)CC1CC1 ZINC000053870085 170165925 /nfs/dbraw/zinc/16/59/25/170165925.db2.gz AVFICXIWBNALKF-GJZGRUSLSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1C[NH+](C)C ZINC000053864621 170169127 /nfs/dbraw/zinc/16/91/27/170169127.db2.gz PSYZYOURVHJHFB-RDBSUJKOSA-N 2 0 240.435 2.989 10 0 BFAERP CC[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C)CC1 ZINC000042580597 170970197 /nfs/dbraw/zinc/97/01/97/170970197.db2.gz PQFLEUCKLNBHNK-TZMCWYRMSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]1CC[N@H+](CC(C)(C)C)C[C@H](C)C[NH2+]1 ZINC000049667083 171009517 /nfs/dbraw/zinc/00/95/17/171009517.db2.gz IQUOWNDWWSYSQR-CHWSQXEVSA-N 2 0 226.408 2.743 10 0 BFAERP CC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037109701 171309815 /nfs/dbraw/zinc/30/98/15/171309815.db2.gz WTKNSNMYBPDFBZ-ZANVPECISA-N 2 0 242.313 2.695 10 0 BFAERP CC(C)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293075 412082038 /nfs/dbraw/zinc/08/20/38/412082038.db2.gz JNPZQGLGRUXSJT-UKRRQHHQSA-N 2 0 238.419 2.743 10 0 BFAERP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915868 171385820 /nfs/dbraw/zinc/38/58/20/171385820.db2.gz GSISCYTYHIYWHB-AJNGGQMLSA-N 2 0 238.419 2.885 10 0 BFAERP CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000665236368 412177270 /nfs/dbraw/zinc/17/72/70/412177270.db2.gz LKLBYPVRIXMUOL-AGIUHOORSA-N 2 0 226.408 2.789 10 0 BFAERP C[C@H]1C[C@H](C[NH2+]C2CCC([NH3+])CC2)C[C@@H](C)C1 ZINC000665238943 412180180 /nfs/dbraw/zinc/18/01/80/412180180.db2.gz IANKXZJXEWQFOU-UMIUCAKVSA-N 2 0 238.419 2.918 10 0 BFAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000665267215 412211165 /nfs/dbraw/zinc/21/11/65/412211165.db2.gz RTVMFIOEDLKLOZ-GXTWGEPZSA-N 2 0 224.392 2.544 10 0 BFAERP CCn1cc[nH+]c1N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000050607955 172227619 /nfs/dbraw/zinc/22/76/19/172227619.db2.gz VERREOGDHIWIJW-NSHDSACASA-N 2 0 244.342 2.535 10 0 BFAERP C[NH2+]C(C)(C)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000061319617 173319785 /nfs/dbraw/zinc/31/97/85/173319785.db2.gz SEIZPBYAWQZKKZ-OLZOCXBDSA-N 2 0 224.392 2.639 10 0 BFAERP C[NH2+]CC1(C[N@H+](CC2CC2)C(C)C)CCCC1 ZINC000051259442 173337870 /nfs/dbraw/zinc/33/78/70/173337870.db2.gz JGQIJNVSWMYIOB-UHFFFAOYSA-N 2 0 238.419 2.887 10 0 BFAERP C[NH2+]CCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000062019095 173345001 /nfs/dbraw/zinc/34/50/01/173345001.db2.gz VJOHSPAYGURODN-GFCCVEGCSA-N 2 0 238.350 2.818 10 0 BFAERP C[NH2+]C[C@@H]1CCCN1CCCc1cccc(C)c1 ZINC000039781811 173368840 /nfs/dbraw/zinc/36/88/40/173368840.db2.gz VXJNVJSRVNYPDE-INIZCTEOSA-N 2 0 246.398 2.611 10 0 BFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cccs2)C1 ZINC000040592493 173378788 /nfs/dbraw/zinc/37/87/88/173378788.db2.gz HHASXEYJBCQGSF-VXGBXAGGSA-N 2 0 238.400 2.741 10 0 BFAERP C[NH2+]C[C@H]1CCCN1CCCc1ccc(C)cc1 ZINC000039781812 173379593 /nfs/dbraw/zinc/37/95/93/173379593.db2.gz KMBHIUFYAROAJM-MRXNPFEDSA-N 2 0 246.398 2.611 10 0 BFAERP C[NH2+]C[C@](C)(C[N@H+](C)CC1CC1)c1ccccc1 ZINC000051249755 173383165 /nfs/dbraw/zinc/38/31/65/173383165.db2.gz FOUXFQZYGHKFIP-MRXNPFEDSA-N 2 0 246.398 2.506 10 0 BFAERP C[NH2+]Cc1oc(C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000052381690 173399316 /nfs/dbraw/zinc/39/93/16/173399316.db2.gz COISLVIWSURCAA-NSHDSACASA-N 2 0 236.359 2.539 10 0 BFAERP COc1ccccc1[C@@H](CCC[NH3+])[NH+]1CCCC1 ZINC000019674094 175346055 /nfs/dbraw/zinc/34/60/55/175346055.db2.gz INEMAOZBBYMLJO-CQSZACIVSA-N 2 0 248.370 2.571 10 0 BFAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049664307 176021632 /nfs/dbraw/zinc/02/16/32/176021632.db2.gz QSVDULFTXYBAIP-KGLIPLIRSA-N 2 0 232.371 2.679 10 0 BFAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012228 176022140 /nfs/dbraw/zinc/02/21/40/176022140.db2.gz DOJWTODVVRTRTH-UONOGXRCSA-N 2 0 244.382 2.822 10 0 BFAERP C[C@@H]1CC2(CCC2)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336596905 176057711 /nfs/dbraw/zinc/05/77/11/176057711.db2.gz AKJLFFSUNVWDAX-KGLIPLIRSA-N 2 0 236.403 2.735 10 0 BFAERP C[C@@H]1CCC[N@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000034050213 176098221 /nfs/dbraw/zinc/09/82/21/176098221.db2.gz QLTHMEKETMHHRP-HIFRSBDPSA-N 2 0 232.371 2.808 10 0 BFAERP C[C@@H]1CCC[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055022337 176103117 /nfs/dbraw/zinc/10/31/17/176103117.db2.gz WBVLRGQANXTGQY-OCCSQVGLSA-N 2 0 245.370 2.786 10 0 BFAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000053862885 176229121 /nfs/dbraw/zinc/22/91/21/176229121.db2.gz RZXGQHBRYWQBNN-KBMXLJTQSA-N 2 0 246.398 2.882 10 0 BFAERP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053860478 176361503 /nfs/dbraw/zinc/36/15/03/176361503.db2.gz LOSRMQWHKDCOES-KBXIAJHMSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H](C[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000096880670 176662678 /nfs/dbraw/zinc/66/26/78/176662678.db2.gz ISMABBUEOPMCAX-GDBMZVCRSA-N 2 0 246.398 2.884 10 0 BFAERP C[C@H]1CC(C)(C)C[C@](CN)([N@H+](C)CC2CC2)C1 ZINC000037925345 177063628 /nfs/dbraw/zinc/06/36/28/177063628.db2.gz LVRPBWIBNHNQJW-SWLSCSKDSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841867 177080772 /nfs/dbraw/zinc/08/07/72/177080772.db2.gz LMTCDEUWEIIYOI-KBPBESRZSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]1CC[NH2+][C@@H](CCCC[NH+]2CCCC2)C1 ZINC000039110695 177175787 /nfs/dbraw/zinc/17/57/87/177175787.db2.gz JHDUVXMQMAGQPX-KBPBESRZSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@H]1C[NH2+]CCC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046702 177281933 /nfs/dbraw/zinc/28/19/33/177281933.db2.gz YRJHIVLILCUTFV-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000049665914 177286134 /nfs/dbraw/zinc/28/61/34/177286134.db2.gz UTFXWHRQBYJXGN-APIJFGDWSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@@H](c1ccco1)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666198 177286162 /nfs/dbraw/zinc/28/61/62/177286162.db2.gz WPXCVALWJOAUDE-XQQFMLRXSA-N 2 0 236.359 2.518 10 0 BFAERP C[C@@H]1[C@H]([NH3+])C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000169616714 177326496 /nfs/dbraw/zinc/32/64/96/177326496.db2.gz ZJJABKUGECYXQM-RMRHIDDWSA-N 2 0 232.371 2.633 10 0 BFAERP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000026515069 177327480 /nfs/dbraw/zinc/32/74/80/177327480.db2.gz HOBDBQWSECHTPC-WCQYABFASA-N 2 0 224.392 2.624 10 0 BFAERP C[C@H]1C[C@@H]1C[N@H+](C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000104417815 177342409 /nfs/dbraw/zinc/34/24/09/177342409.db2.gz UEVKXXZCYBCXEP-YUTCNCBUSA-N 2 0 245.370 2.642 10 0 BFAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1CCCCCC1 ZINC000049710528 177364323 /nfs/dbraw/zinc/36/43/23/177364323.db2.gz FJLRFTXDJJRATC-NWDGAFQWSA-N 2 0 210.365 2.521 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@H]1CC[NH2+]C1 ZINC000400346290 225035871 /nfs/dbraw/zinc/03/58/71/225035871.db2.gz HOAKIRHGVUVPBA-STQMWFEESA-N 2 0 236.403 2.711 10 0 BFAERP C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000400356524 225063885 /nfs/dbraw/zinc/06/38/85/225063885.db2.gz BJWUPPYFXNOKCI-XQQFMLRXSA-N 2 0 224.392 2.543 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400416516 225224634 /nfs/dbraw/zinc/22/46/34/225224634.db2.gz VKYJPBJCFJIKOY-GZBFAFLISA-N 2 0 232.371 2.644 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400525885 226345559 /nfs/dbraw/zinc/34/55/59/226345559.db2.gz QAKZFCQBGLXXRQ-JGGQBBKZSA-N 2 0 244.382 2.652 10 0 BFAERP CC(C)C[N@@H+]1C[C@@H]2CCC[C@H](C[NH+](C)C)[C@@H]2C1 ZINC000503720869 528027774 /nfs/dbraw/zinc/02/77/74/528027774.db2.gz WKDTVTPLLXPBOO-ILXRZTDVSA-N 2 0 238.419 2.552 10 0 BFAERP Cc1c[nH+]ccc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829795 487703794 /nfs/dbraw/zinc/70/37/94/487703794.db2.gz DFIXLMXMDKOVFW-UHFFFAOYSA-N 2 0 239.322 2.605 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132599 582507780 /nfs/dbraw/zinc/50/77/80/582507780.db2.gz ROJXGNDTUUGSQA-HZSPNIEDSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@H](CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500093 533943936 /nfs/dbraw/zinc/94/39/36/533943936.db2.gz BSYUZXFYYZBQET-YCPHGPKFSA-N 2 0 246.398 2.768 10 0 BFAERP C[C@H](CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500089 533945672 /nfs/dbraw/zinc/94/56/72/533945672.db2.gz BSYUZXFYYZBQET-FMKPAKJESA-N 2 0 246.398 2.768 10 0 BFAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400320224 528653068 /nfs/dbraw/zinc/65/30/68/528653068.db2.gz AWCSXRWOPXPNHZ-QPSCCSFWSA-N 2 0 238.419 2.789 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400497362 529282919 /nfs/dbraw/zinc/28/29/19/529282919.db2.gz HQCSYVJQFIMGCS-SYQHCUMBSA-N 2 0 224.392 2.543 10 0 BFAERP CCC(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261608935 535350808 /nfs/dbraw/zinc/35/08/08/535350808.db2.gz BPOYKZWLESOYHI-GFCCVEGCSA-N 2 0 226.408 2.872 10 0 BFAERP C[N@H+](C1CCCCC1)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675052897 566412156 /nfs/dbraw/zinc/41/21/56/566412156.db2.gz BXYTUQCTSFCWET-OCCSQVGLSA-N 2 0 224.392 2.768 10 0 BFAERP C(C[N@@H+]1CCC[C@]12CN1CCC2CC1)C1CCC1 ZINC000757126583 582501121 /nfs/dbraw/zinc/50/11/21/582501121.db2.gz GESZKYGTVBSJIS-MRXNPFEDSA-N 2 0 248.414 2.737 10 0 BFAERP CCCCC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127763 582502966 /nfs/dbraw/zinc/50/29/66/582502966.db2.gz HVQYEKMDVJKYES-ZIAGYGMSSA-N 2 0 224.392 2.783 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757128301 582503057 /nfs/dbraw/zinc/50/30/57/582503057.db2.gz KLJCPSIQLQSELS-KBPBESRZSA-N 2 0 224.392 2.639 10 0 BFAERP CCCCC[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757127757 582503523 /nfs/dbraw/zinc/50/35/23/582503523.db2.gz HVQYEKMDVJKYES-UONOGXRCSA-N 2 0 224.392 2.783 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131135 582506047 /nfs/dbraw/zinc/50/60/47/582506047.db2.gz PILGFWBOIHHMLK-TZMCWYRMSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@@H]1N[C@@H](c2ccc(C3(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000757206373 586437270 /nfs/dbraw/zinc/43/72/70/586437270.db2.gz AASDIAJHRSNSPP-TUKIKUTGSA-N 2 0 244.382 2.878 10 0 BFAERP [NH3+]CC[C@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757206820 586437304 /nfs/dbraw/zinc/43/73/04/586437304.db2.gz AOAGAXYCOXYLKN-RISCZKNCSA-N 2 0 243.354 2.557 10 0 BFAERP C[C@H]1CC[C@@H](c2ccc(C3CC3)c(C[NH3+])c2)C[NH2+]1 ZINC000757234723 586443225 /nfs/dbraw/zinc/44/32/25/586443225.db2.gz LPXWJZSTUUEVOE-SMDDNHRTSA-N 2 0 244.382 2.878 10 0 BFAERP [NH3+]C[C@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757237895 586443910 /nfs/dbraw/zinc/44/39/10/586443910.db2.gz QUGYVTKMGHXBJA-GMSGAONNSA-N 2 0 246.326 2.685 10 0 BFAERP [NH3+]C[C@@H]1CC[NH2+][C@@H](c2cscc2C(F)F)C1 ZINC000757235797 586443927 /nfs/dbraw/zinc/44/39/27/586443927.db2.gz MTWKHYKKFNEAAE-GMSGAONNSA-N 2 0 246.326 2.685 10 0 BFAERP CC(C)[N@@H+]1CCC=C(c2cccc(C[NH3+])c2)C1 ZINC000757570932 586462741 /nfs/dbraw/zinc/46/27/41/586462741.db2.gz FVYJUEBYHDAQNZ-UHFFFAOYSA-N 2 0 230.355 2.643 10 0 BFAERP CCC[NH+]1CCC(C[NH2+]C2CCCC2)CC1 ZINC000105446403 588174032 /nfs/dbraw/zinc/17/40/32/588174032.db2.gz USADRWWFGHZTOC-UHFFFAOYSA-N 2 0 224.392 2.641 10 0 BFAERP CSCCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000235152586 632103205 /nfs/dbraw/zinc/10/32/05/632103205.db2.gz OWDDAJOWDPRGQS-CYBMUJFWSA-N 2 0 244.448 2.642 10 0 BFAERP Cc1cc(NCc2ccc(CC[NH3+])cc2)cc[nH+]1 ZINC000162870293 635146030 /nfs/dbraw/zinc/14/60/30/635146030.db2.gz KHRLMFRPYHLIFD-UHFFFAOYSA-N 2 0 241.338 2.503 10 0 BFAERP CC(C)[N@H+](C)CCC[NH2+]CCc1ccccc1 ZINC000221788535 635341300 /nfs/dbraw/zinc/34/13/00/635341300.db2.gz QVMOZBCROVBUTN-UHFFFAOYSA-N 2 0 234.387 2.549 10 0 BFAERP CCCCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668810 641192149 /nfs/dbraw/zinc/19/21/49/641192149.db2.gz ZDCXODYZYLCEHR-CYBMUJFWSA-N 2 0 212.381 2.641 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC23CCCC3)CC1 ZINC000714758313 712497768 /nfs/dbraw/zinc/49/77/68/712497768.db2.gz FDFSUNGZDPOZKT-CYBMUJFWSA-N 2 0 236.403 2.913 10 0 BFAERP C[N@@H+]1CCCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000700814643 712007662 /nfs/dbraw/zinc/00/76/62/712007662.db2.gz ABPJJOQEIQGNFS-MRXNPFEDSA-N 2 0 246.398 2.551 10 0 BFAERP [NH3+]C1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000709973369 712235911 /nfs/dbraw/zinc/23/59/11/712235911.db2.gz WXAFQIPUGNOWPO-UHFFFAOYSA-N 2 0 236.403 2.816 10 0 BFAERP C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000712502447 712432165 /nfs/dbraw/zinc/43/21/65/712432165.db2.gz HJKNNVGYAYXKEM-QKGCVVFFSA-N 2 0 236.403 2.543 10 0 BFAERP CC(C)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714495445 712492354 /nfs/dbraw/zinc/49/23/54/712492354.db2.gz HGINHCPYQGGKQX-LBPRGKRZSA-N 2 0 226.408 2.728 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000714759291 712497747 /nfs/dbraw/zinc/49/77/47/712497747.db2.gz PQYXGKRYHSJWKJ-CYBMUJFWSA-N 2 0 232.371 2.951 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000714758754 712497753 /nfs/dbraw/zinc/49/77/53/712497753.db2.gz VTQPONVNOLHVSX-STQMWFEESA-N 2 0 224.392 2.768 10 0 BFAERP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000715492582 712523641 /nfs/dbraw/zinc/52/36/41/712523641.db2.gz VPPGVEKUIMMIPA-HOTGVXAUSA-N 2 0 246.398 2.692 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685954540 538899354 /nfs/dbraw/zinc/89/93/54/538899354.db2.gz NTFYYIIXNDEPSB-ZOBORPQBSA-N 2 0 224.392 2.624 10 0 BFAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCCCCC2 ZINC000685955391 538901309 /nfs/dbraw/zinc/90/13/09/538901309.db2.gz YVXXEPGZHDLYKE-LBPRGKRZSA-N 2 0 210.365 2.522 10 0 BFAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000685952701 538896817 /nfs/dbraw/zinc/89/68/17/538896817.db2.gz CCNDXQBWRBZZJH-SGMGOOAPSA-N 2 0 224.392 2.624 10 0 BFAERP Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)oc1C[NH3+] ZINC000052420738 178007507 /nfs/dbraw/zinc/00/75/07/178007507.db2.gz OIKGBXFBECDBLG-GHMZBOCLSA-N 2 0 236.359 2.525 10 0 BFAERP Cc1cc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)o1 ZINC000040749195 178220777 /nfs/dbraw/zinc/22/07/77/178220777.db2.gz VCSIQZYTSLSHLM-NDNKKMJESA-N 2 0 248.370 2.912 10 0 BFAERP CCC1(C)CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000229546797 538939423 /nfs/dbraw/zinc/93/94/23/538939423.db2.gz VSBPRJUTXNMCLK-QWHCGFSZSA-N 2 0 224.392 2.639 10 0 BFAERP CCC(CC)C[C@H](C[NH3+])[C@H]1CCCC[NH2+]1 ZINC000068591042 168367440 /nfs/dbraw/zinc/36/74/40/168367440.db2.gz ZTIWCHDIIPTXKU-CHWSQXEVSA-N 2 0 212.381 2.530 10 0 BFAERP CCC(CC)[N@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000036788536 168369178 /nfs/dbraw/zinc/36/91/78/168369178.db2.gz GCBQHSFMSWHSEC-AWEZNQCLSA-N 2 0 234.387 2.849 10 0 BFAERP CCC(CC)[N@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000036788564 168369207 /nfs/dbraw/zinc/36/92/07/168369207.db2.gz JANQJCUHNZCOQF-UHFFFAOYSA-N 2 0 238.350 2.905 10 0 BFAERP CCC(CC)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049664929 168376104 /nfs/dbraw/zinc/37/61/04/168376104.db2.gz QHPRTOQSFKDWQL-RYUDHWBXSA-N 2 0 212.381 2.637 10 0 BFAERP CCC(CC)[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037208732 168391228 /nfs/dbraw/zinc/39/12/28/168391228.db2.gz HJWHAPLUSVVHEL-LBPRGKRZSA-N 2 0 226.408 2.885 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000042585624 538978298 /nfs/dbraw/zinc/97/82/98/538978298.db2.gz CXACZWZWKVNPBP-JSGCOSHPSA-N 2 0 226.408 2.741 10 0 BFAERP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310402919 259327345 /nfs/dbraw/zinc/32/73/45/259327345.db2.gz UZIOCLIBMTZODY-UMVBOHGHSA-N 2 0 232.371 2.664 10 0 BFAERP CC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219631048 342881140 /nfs/dbraw/zinc/88/11/40/342881140.db2.gz HEJXHUKSKYTQRB-HOCLYGCPSA-N 2 0 246.398 2.897 10 0 BFAERP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C(C)C ZINC000037197159 343338846 /nfs/dbraw/zinc/33/88/46/343338846.db2.gz SMGRAAFPUWOTRQ-LBPRGKRZSA-N 2 0 214.397 2.598 10 0 BFAERP C[C@H]([NH3+])CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000042437387 343437876 /nfs/dbraw/zinc/43/78/76/343437876.db2.gz FXTJTHSHJYUWLC-JTQLQIEISA-N 2 0 226.751 2.509 10 0 BFAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CC[C@H]([NH3+])[C@H]21 ZINC000059244010 343707166 /nfs/dbraw/zinc/70/71/66/343707166.db2.gz GUUUROUIZZQBOM-RZFFKMDDSA-N 2 0 230.355 2.559 10 0 BFAERP C[C@@H](CC[NH3+])CCC[NH2+]Cc1ccccc1 ZINC000070610841 343952926 /nfs/dbraw/zinc/95/29/26/343952926.db2.gz QNBCWFCWXKPWFX-CYBMUJFWSA-N 2 0 220.360 2.541 10 0 BFAERP CCC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000062850581 168467741 /nfs/dbraw/zinc/46/77/41/168467741.db2.gz IBXCNGDNHSDGBJ-KBPBESRZSA-N 2 0 238.419 2.744 10 0 BFAERP CCC(C)(C)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635023739 345224670 /nfs/dbraw/zinc/22/46/70/345224670.db2.gz SAQUAYRJAXNXKV-GFCCVEGCSA-N 2 0 212.381 2.544 10 0 BFAERP C[C@@H]1[C@@H]([NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000211624078 345737527 /nfs/dbraw/zinc/73/75/27/345737527.db2.gz WGPDGADSQLFXDI-CJNGLKHVSA-N 2 0 244.382 2.792 10 0 BFAERP Cc1ccccc1C[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053031412 179276460 /nfs/dbraw/zinc/27/64/60/179276460.db2.gz MYVSCNGSGFYMDF-CQSZACIVSA-N 2 0 244.382 2.569 10 0 BFAERP Cc1ccccc1C[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666762 179276794 /nfs/dbraw/zinc/27/67/94/179276794.db2.gz OZFIJOXGQMYZEN-KBPBESRZSA-N 2 0 246.398 2.672 10 0 BFAERP CCCN(CCC)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000669381876 537996980 /nfs/dbraw/zinc/99/69/80/537996980.db2.gz YSYDRHLBXRQJJF-IHRRRGAJSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCC1CCCCCC1 ZINC000394652159 349034954 /nfs/dbraw/zinc/03/49/54/349034954.db2.gz ZMVVTQULGRIXQA-TZMCWYRMSA-N 2 0 224.392 2.768 10 0 BFAERP C[NH+](C)CC[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000212505754 349337827 /nfs/dbraw/zinc/33/78/27/349337827.db2.gz LOFWLOOCJMXLFZ-AWEZNQCLSA-N 2 0 242.366 2.834 10 0 BFAERP c1nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000616618584 350922700 /nfs/dbraw/zinc/92/27/00/350922700.db2.gz AORREEDOKTXBBH-AWEZNQCLSA-N 2 0 241.338 2.789 10 0 BFAERP CC[N@H+](Cc1ccccc1)[C@](C)(CC)C[NH3+] ZINC000034958052 351364508 /nfs/dbraw/zinc/36/45/08/351364508.db2.gz YKFQQVGEDSNIND-CQSZACIVSA-N 2 0 220.360 2.636 10 0 BFAERP C[NH+](C)[C@@H]1CCCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304171 351562013 /nfs/dbraw/zinc/56/20/13/351562013.db2.gz QXYNAXVCGREYHQ-HZSPNIEDSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725269578 538101741 /nfs/dbraw/zinc/10/17/41/538101741.db2.gz AIIDWPGQQLBZLW-VGVBULKLSA-N 2 0 236.403 2.624 10 0 BFAERP CC(C)(C)[C@H]([NH3+])CC[NH+]1CCCCCC1 ZINC000054027062 188175393 /nfs/dbraw/zinc/17/53/93/188175393.db2.gz JBXYPXFURZDIPG-GFCCVEGCSA-N 2 0 212.381 2.626 10 0 BFAERP CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000040502152 358492933 /nfs/dbraw/zinc/49/29/33/358492933.db2.gz YIHBXWWYVCPVAO-DZGCQCFKSA-N 2 0 232.371 2.822 10 0 BFAERP NC(=[NH2+])CCCCCCCCCCC(N)=[NH2+] ZINC000001998904 181186785 /nfs/dbraw/zinc/18/67/85/181186785.db2.gz IJJOXGOHGUOKBS-UHFFFAOYSA-N 2 0 226.368 2.759 10 0 BFAERP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CC1(C)C ZINC000397665530 355333300 /nfs/dbraw/zinc/33/33/00/355333300.db2.gz OYFJSZNMWJQQAY-TYUFSLCMSA-N 2 0 224.392 2.671 10 0 BFAERP CC1(C)CC[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000257767772 538754494 /nfs/dbraw/zinc/75/44/94/538754494.db2.gz FXSABHAGXXKWPC-QWHCGFSZSA-N 2 0 224.392 2.626 10 0 BFAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000582779546 357390805 /nfs/dbraw/zinc/39/08/05/357390805.db2.gz SPIAHDYBAORNQG-UONOGXRCSA-N 2 0 238.419 2.935 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189078804 357603647 /nfs/dbraw/zinc/60/36/47/357603647.db2.gz QKAGHIWPHKCRPQ-UONOGXRCSA-N 2 0 236.403 2.783 10 0 BFAERP CC(C)(C[NH3+])Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000584595943 358253904 /nfs/dbraw/zinc/25/39/04/358253904.db2.gz MRVLQYCQJVKANR-UHFFFAOYSA-N 2 0 246.398 2.810 10 0 BFAERP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053864838 358430420 /nfs/dbraw/zinc/43/04/20/358430420.db2.gz HTTARJQCGFRWMQ-GJZGRUSLSA-N 2 0 232.371 2.636 10 0 BFAERP Cc1cccc([C@@H](C)[NH2+]Cc2cnc[nH]2)c1 ZINC000088162128 359938257 /nfs/dbraw/zinc/93/82/57/359938257.db2.gz VUCLTYSVEZFSHQ-LLVKDONJSA-N 2 0 215.300 2.569 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000578738347 366634276 /nfs/dbraw/zinc/63/42/76/366634276.db2.gz JDXVZWXRLBPHBA-BFHYXJOUSA-N 2 0 238.419 2.933 10 0 BFAERP [NH3+]CC1(C[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000049831986 181358500 /nfs/dbraw/zinc/35/85/00/181358500.db2.gz VRNRUFDWBDTJAF-UHFFFAOYSA-N 2 0 244.382 2.564 10 0 BFAERP [NH3+]CC1(C[NH+]2CCCCCCC2)CCCC1 ZINC000051213984 181359306 /nfs/dbraw/zinc/35/93/06/181359306.db2.gz BMXVYDXHUPMSHQ-UHFFFAOYSA-N 2 0 224.392 2.772 10 0 BFAERP NCC1([NH+]2CCCCCC2)CCCCCC1 ZINC000022143953 181359956 /nfs/dbraw/zinc/35/99/56/181359956.db2.gz DQVRCIAZEKGRMD-UHFFFAOYSA-N 2 0 224.392 2.914 10 0 BFAERP [NH3+]CCCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050598404 181375566 /nfs/dbraw/zinc/37/55/66/181375566.db2.gz ZCTBHWIMYNDGLI-OAHLLOKOSA-N 2 0 232.371 2.605 10 0 BFAERP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000574069927 364979957 /nfs/dbraw/zinc/97/99/57/364979957.db2.gz DDLDDJNPZZIDDJ-YRGRVCCFSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H](c1ccsc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380556185 367243060 /nfs/dbraw/zinc/24/30/60/367243060.db2.gz KWMYVYNPHVPXHA-NQBHXWOUSA-N 2 0 238.400 2.726 10 0 BFAERP C[C@@H]1C[N@@H+](C2CCC(C)(C)CC2)C[C@@]1(C)C[NH3+] ZINC000383342629 367614978 /nfs/dbraw/zinc/61/49/78/367614978.db2.gz LDZHTXUYXZEJMU-IUODEOHRSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000386199713 367927972 /nfs/dbraw/zinc/92/79/72/367927972.db2.gz FMHQZWZMWOQWJM-UPJWGTAASA-N 2 0 226.408 2.918 10 0 BFAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839830 369182824 /nfs/dbraw/zinc/18/28/24/369182824.db2.gz LKKOIISGYQQKBU-NWANDNLSSA-N 2 0 232.371 2.664 10 0 BFAERP CCC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000310021597 370288665 /nfs/dbraw/zinc/28/86/65/370288665.db2.gz NOXDOZWPMNSGID-KBPBESRZSA-N 2 0 226.408 2.887 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000568988895 326384904 /nfs/dbraw/zinc/38/49/04/326384904.db2.gz ZBBRYUMDAJSCOQ-SDDRHHMPSA-N 2 0 246.345 2.542 10 0 BFAERP Cc1cscc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572749545 326408631 /nfs/dbraw/zinc/40/86/31/326408631.db2.gz OJAPBWZDZXPJCJ-NEPJUHHUSA-N 2 0 238.400 2.534 10 0 BFAERP CCC[N@H+](C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000062943742 169075161 /nfs/dbraw/zinc/07/51/61/169075161.db2.gz SZHFJBCTJHDPLY-UHFFFAOYSA-N 2 0 246.398 2.650 10 0 BFAERP CCC[NH+](CCC)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000058081484 169148974 /nfs/dbraw/zinc/14/89/74/169148974.db2.gz LDCOPOIAQOLDIC-QWHCGFSZSA-N 2 0 212.381 2.626 10 0 BFAERP CCC[NH+](CCC)Cc1ccccc1C(N)=[NH2+] ZINC000019426673 169149282 /nfs/dbraw/zinc/14/92/82/169149282.db2.gz DBNPJSPXDZXCOZ-UHFFFAOYSA-N 2 0 233.359 2.593 10 0 BFAERP CCC[N@@H+]1CCCC[C@H](C[NH3+])[C@H]1c1ccco1 ZINC000082331105 169191180 /nfs/dbraw/zinc/19/11/80/169191180.db2.gz MKYLGFRVMWQHFQ-OCCSQVGLSA-N 2 0 236.359 2.792 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH+](CC)CC)C[C@@H]1C ZINC000073655974 169206639 /nfs/dbraw/zinc/20/66/39/169206639.db2.gz RAKQYTWEXQVFNT-QWHCGFSZSA-N 2 0 212.381 2.591 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@@H]1C ZINC000073655874 169207120 /nfs/dbraw/zinc/20/71/20/169207120.db2.gz APBZMGNEBUOJKJ-NWDGAFQWSA-N 2 0 212.381 2.637 10 0 BFAERP CCC[NH2+][C@H](CC[NH+](C)C)c1ccccc1C ZINC000054016629 169288870 /nfs/dbraw/zinc/28/88/70/169288870.db2.gz JZHYGYWWEVKNOH-OAHLLOKOSA-N 2 0 234.387 2.987 10 0 BFAERP C[NH+](C)CC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095074250 384350308 /nfs/dbraw/zinc/35/03/08/384350308.db2.gz IOAMZHOLUQIING-INIZCTEOSA-N 2 0 246.398 2.850 10 0 BFAERP [NH3+]C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000100279310 384632027 /nfs/dbraw/zinc/63/20/27/384632027.db2.gz HCOHDXPCJRZNOY-CVEARBPZSA-N 2 0 244.382 2.638 10 0 BFAERP CC[C@@H]([NH3+])CNc1cc(C)[nH+]c2ccccc12 ZINC000104210948 384674728 /nfs/dbraw/zinc/67/47/28/384674728.db2.gz KNABQOSQENQNPW-LLVKDONJSA-N 2 0 229.327 2.692 10 0 BFAERP C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@@]1(C)C[NH3+] ZINC000310361997 384794943 /nfs/dbraw/zinc/79/49/43/384794943.db2.gz KNUARKXKDRKVOL-HXSCFSKGSA-N 2 0 238.419 2.729 10 0 BFAERP c1c2ccccc2sc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398280962 384884704 /nfs/dbraw/zinc/88/47/04/384884704.db2.gz DRQXLHQDUBWMBO-NSHDSACASA-N 2 0 246.379 2.600 10 0 BFAERP CC(C)CC(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000258738623 384940307 /nfs/dbraw/zinc/94/03/07/384940307.db2.gz ILKDMNKCGIJXAX-UHFFFAOYSA-N 2 0 226.408 2.918 10 0 BFAERP CC[NH+](CC)Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000058019897 384980561 /nfs/dbraw/zinc/98/05/61/384980561.db2.gz NEAXZSOGPFNLAN-LLVKDONJSA-N 2 0 206.333 2.548 10 0 BFAERP C[C@H](C[NH3+])C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000309319426 385532453 /nfs/dbraw/zinc/53/24/53/385532453.db2.gz GUMFHLACNOYZBK-UPJWGTAASA-N 2 0 226.408 2.776 10 0 BFAERP CC[C@H]([NH2+]CCN(C)C(C)C)C(C)(C)C ZINC000336725359 385844491 /nfs/dbraw/zinc/84/44/91/385844491.db2.gz GIBICNUDBYHXMW-LBPRGKRZSA-N 2 0 214.397 2.741 10 0 BFAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000335021892 385982583 /nfs/dbraw/zinc/98/25/83/385982583.db2.gz JYYTWFXWKQTSLC-VOMCLLRMSA-N 2 0 246.345 2.671 10 0 BFAERP C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000519596629 386497914 /nfs/dbraw/zinc/49/79/14/386497914.db2.gz UBEPZBHOXNXTIL-XUXIUFHCSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC(C)(C)C1 ZINC000415048757 386534543 /nfs/dbraw/zinc/53/45/43/386534543.db2.gz XHYMVIVJOGASDR-RFGFWPKPSA-N 2 0 238.419 2.918 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC(C)(C)C1 ZINC000414790946 386545632 /nfs/dbraw/zinc/54/56/32/386545632.db2.gz AUYAQJDTMNOARF-ZOBORPQBSA-N 2 0 238.419 2.918 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000414790945 386545800 /nfs/dbraw/zinc/54/58/00/386545800.db2.gz AUYAQJDTMNOARF-YIYPIFLZSA-N 2 0 238.419 2.918 10 0 BFAERP Cc1cc(Cl)ccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575439096 387121120 /nfs/dbraw/zinc/12/11/20/387121120.db2.gz PSZZOXIYVQUBSQ-LBPRGKRZSA-N 2 0 226.751 2.777 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000575439109 387121314 /nfs/dbraw/zinc/12/13/14/387121314.db2.gz PXHAKRPTINCKGH-NSHDSACASA-N 2 0 230.714 2.608 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(Cl)c1F ZINC000575439627 387124672 /nfs/dbraw/zinc/12/46/72/387124672.db2.gz WLJGDARBFRNWGZ-JTQLQIEISA-N 2 0 230.714 2.608 10 0 BFAERP CCc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422748964 387653831 /nfs/dbraw/zinc/65/38/31/387653831.db2.gz WWVPVZGXLJBYAQ-RYUDHWBXSA-N 2 0 232.371 2.508 10 0 BFAERP CCC(CC)(CC)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400502533 387982746 /nfs/dbraw/zinc/98/27/46/387982746.db2.gz CLONUICNMHLIKA-QWHCGFSZSA-N 2 0 226.408 2.790 10 0 BFAERP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)[C@H]1C[C@@H]1C ZINC000322211005 388032302 /nfs/dbraw/zinc/03/23/02/388032302.db2.gz UJTPFBMQFJGJJM-AJNGGQMLSA-N 2 0 238.419 2.741 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000160209100 388053462 /nfs/dbraw/zinc/05/34/62/388053462.db2.gz YUBODFUCQAKYAY-QEJZJMRPSA-N 2 0 232.371 2.773 10 0 BFAERP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C(C)(C)C ZINC000309579893 388458395 /nfs/dbraw/zinc/45/83/95/388458395.db2.gz QASKFLGXQZATBD-LBPRGKRZSA-N 2 0 228.424 2.989 10 0 BFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000310065845 388475406 /nfs/dbraw/zinc/47/54/06/388475406.db2.gz BHZBIWRWDCANEB-UMVBOHGHSA-N 2 0 238.419 2.872 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@@H]1CC1(C)C ZINC000397767850 388497368 /nfs/dbraw/zinc/49/73/68/388497368.db2.gz GOAODXZLCKLDIW-AVGNSLFASA-N 2 0 226.408 2.741 10 0 BFAERP [NH3+]CCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000575440119 388631150 /nfs/dbraw/zinc/63/11/50/388631150.db2.gz JAKRQUPWZDVRBJ-JTQLQIEISA-N 2 0 233.142 2.732 10 0 BFAERP CC(C)C(C[NH2+][C@H]1CCC[NH2+]CC1)C(C)C ZINC000229523581 388793489 /nfs/dbraw/zinc/79/34/89/388793489.db2.gz IPBSNXUFBHFSRZ-ZDUSSCGKSA-N 2 0 226.408 2.646 10 0 BFAERP CC(C)C(C[NH2+][C@@H]1CCC[NH2+]CC1)C(C)C ZINC000229523571 388794145 /nfs/dbraw/zinc/79/41/45/388794145.db2.gz IPBSNXUFBHFSRZ-CYBMUJFWSA-N 2 0 226.408 2.646 10 0 BFAERP CC(C)CC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000565827698 388970705 /nfs/dbraw/zinc/97/07/05/388970705.db2.gz AWYJYXFBCYJUGD-ZIAGYGMSSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400501092 533376384 /nfs/dbraw/zinc/37/63/84/533376384.db2.gz IPASNHFNVUJVTN-OCCSQVGLSA-N 2 0 224.392 2.544 10 0 BFAERP C(C[NH2+][C@@H]1CCC[NH2+]CC1)CC1CCCC1 ZINC000225016158 134353160 /nfs/dbraw/zinc/35/31/60/134353160.db2.gz AFKSYDBJNSAOFO-CQSZACIVSA-N 2 0 224.392 2.689 10 0 BFAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC000227489410 134381292 /nfs/dbraw/zinc/38/12/92/134381292.db2.gz JUCRMKSZROCLIU-OOJKYFRXSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251159229 135065121 /nfs/dbraw/zinc/06/51/21/135065121.db2.gz ZNLYQHCRJXKHBZ-VNQPRFMTSA-N 2 0 246.398 2.725 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000251787896 135078056 /nfs/dbraw/zinc/07/80/56/135078056.db2.gz XFZWWWCMOYVRJC-RRFJBIMHSA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@H](C)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086730714 135096068 /nfs/dbraw/zinc/09/60/68/135096068.db2.gz QSDZJKYGUBLPHG-ZSVAQUKISA-N 2 0 212.381 2.671 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261567791 135209247 /nfs/dbraw/zinc/20/92/47/135209247.db2.gz FCUDFCZNDHLBGV-GFCCVEGCSA-N 2 0 238.400 2.616 10 0 BFAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000261568745 135210518 /nfs/dbraw/zinc/21/05/18/135210518.db2.gz FVAJGIBVOIOGBB-MXWKQRLJSA-N 2 0 240.778 2.596 10 0 BFAERP CC[C@H](C)N(C)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000164489075 135373151 /nfs/dbraw/zinc/37/31/51/135373151.db2.gz MCJIODLPHACTJE-BFHYXJOUSA-N 2 0 226.408 2.885 10 0 BFAERP C[Si](C)(C)[NH+]([Si](C)(C)C)[Si](C)(C)[NH3+] ZINC000196683513 397964491 /nfs/dbraw/zinc/96/44/91/397964491.db2.gz WQQNRCGNWRVYBY-UHFFFAOYSA-N 2 0 234.568 2.619 10 0 BFAERP Cc1ccc(C[NH2+]C(C)(C)CC[NH3+])c(C)c1 ZINC000258728589 322876758 /nfs/dbraw/zinc/87/67/58/322876758.db2.gz DVYVXJRGCGEYFA-UHFFFAOYSA-N 2 0 220.360 2.520 10 0 BFAERP CC(C)C[NH2+]C[C@@H](C)CN(C)Cc1ccco1 ZINC000052456618 167004628 /nfs/dbraw/zinc/00/46/28/167004628.db2.gz MQGVLUPMPFZVPX-CYBMUJFWSA-N 2 0 238.375 2.593 10 0 BFAERP CC(C)C[NH2+]Cc1occc1C[N@H+](C)C(C)C ZINC000052419702 167010115 /nfs/dbraw/zinc/01/01/15/167010115.db2.gz CMASYNVKDOWUFH-UHFFFAOYSA-N 2 0 238.375 2.865 10 0 BFAERP CC(C)[NH2+]C1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 ZINC000309718024 167094223 /nfs/dbraw/zinc/09/42/23/167094223.db2.gz ZOSOOVRICXWRLH-TZMCWYRMSA-N 2 0 224.392 2.637 10 0 BFAERP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCCc3ccccc32)C1 ZINC000401884593 411168235 /nfs/dbraw/zinc/16/82/35/411168235.db2.gz SHCYALFQCHZXNI-JGGQBBKZSA-N 2 0 244.382 2.652 10 0 BFAERP CC1CCC([N@H+](C)CC2(N)CCCC2)CC1 ZINC000042488262 168158308 /nfs/dbraw/zinc/15/83/08/168158308.db2.gz UFKOYMRWJADMNI-UHFFFAOYSA-N 2 0 224.392 2.768 10 0 BFAERP CC1CCC([N@H+](C)C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053878824 168159156 /nfs/dbraw/zinc/15/91/56/168159156.db2.gz BMIPOLVXFZPTTJ-HHTDUIENSA-N 2 0 224.392 2.624 10 0 BFAERP CC1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037156822 168187856 /nfs/dbraw/zinc/18/78/56/168187856.db2.gz NAAHPVUONYRANY-KBPBESRZSA-N 2 0 224.392 2.626 10 0 BFAERP CC[N@@H+](Cc1cc(C[NH3+])ccc1F)CC(C)C ZINC000037111013 169901816 /nfs/dbraw/zinc/90/18/16/169901816.db2.gz OFQKYUDWAZFTTN-UHFFFAOYSA-N 2 0 238.350 2.762 10 0 BFAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)CC ZINC000054626537 170109410 /nfs/dbraw/zinc/10/94/10/170109410.db2.gz XNBQWZRDGZFQNF-YHWZYXNKSA-N 2 0 224.392 2.780 10 0 BFAERP CC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000095091440 170109696 /nfs/dbraw/zinc/10/96/96/170109696.db2.gz DBGRZBHLVASMNS-MZBDJJRSSA-N 2 0 246.398 2.753 10 0 BFAERP CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000053654046 170120274 /nfs/dbraw/zinc/12/02/74/170120274.db2.gz LHQZNSATCWPYDM-INIZCTEOSA-N 2 0 246.398 2.817 10 0 BFAERP CC[NH2+]Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)oc1C ZINC000052543804 170125684 /nfs/dbraw/zinc/12/56/84/170125684.db2.gz XJBLOJDZSQJVKG-GXTWGEPZSA-N 2 0 248.370 2.682 10 0 BFAERP CC[NH2+]Cc1ccc(C[N@H+](C)CCC(C)C)o1 ZINC000052545836 170126748 /nfs/dbraw/zinc/12/67/48/170126748.db2.gz MIBJVBZCOSVVCE-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CC[NH2+]Cc1oc(C[N@@H+]2CCC[C@H]2C)cc1C ZINC000052376210 170132221 /nfs/dbraw/zinc/13/22/21/170132221.db2.gz HITDQNQNFMCLAH-GFCCVEGCSA-N 2 0 236.359 2.682 10 0 BFAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000054554551 170153479 /nfs/dbraw/zinc/15/34/79/170153479.db2.gz VOKMMLABFKQVCK-ZNMIVQPWSA-N 2 0 238.419 2.885 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](C(C2CC2)C2CC2)[C@H](C)C1 ZINC000049713722 170166770 /nfs/dbraw/zinc/16/67/70/170166770.db2.gz IEJMNSDGLUJYLY-RISCZKNCSA-N 2 0 236.403 2.637 10 0 BFAERP CC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H](C)C[NH2+]1 ZINC000049664195 171011735 /nfs/dbraw/zinc/01/17/35/171011735.db2.gz HEJXHUKSKYTQRB-GDBMZVCRSA-N 2 0 246.398 2.897 10 0 BFAERP CC[C@@H]1C[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096985066 171101188 /nfs/dbraw/zinc/10/11/88/171101188.db2.gz ZPNZSWOGOBFLSW-HZPDHXFCSA-N 2 0 244.382 2.508 10 0 BFAERP CC[C@H](C)[C@H](N)C[N@H+](C)C1CCCCC1 ZINC000020073170 171396096 /nfs/dbraw/zinc/39/60/96/171396096.db2.gz WYFUEGCZJSUZPN-WCQYABFASA-N 2 0 212.381 2.624 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000665267218 412210345 /nfs/dbraw/zinc/21/03/45/412210345.db2.gz RTVMFIOEDLKLOZ-TZMCWYRMSA-N 2 0 224.392 2.544 10 0 BFAERP C[N@@H+]1CCCC[C@H](C[NH3+])[C@H]1c1cccc(F)c1 ZINC000082335400 173007357 /nfs/dbraw/zinc/00/73/57/173007357.db2.gz GPSYSATUMDWGPH-TZMCWYRMSA-N 2 0 236.334 2.557 10 0 BFAERP C[NH2+]CCC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075980 173350430 /nfs/dbraw/zinc/35/04/30/173350430.db2.gz IAIHTBDKHCTEIZ-INIZCTEOSA-N 2 0 246.398 2.898 10 0 BFAERP C[NH2+]C[C@H]1CCCN1CCCc1cccc(C)c1 ZINC000039781810 173379755 /nfs/dbraw/zinc/37/97/55/173379755.db2.gz VXJNVJSRVNYPDE-MRXNPFEDSA-N 2 0 246.398 2.611 10 0 BFAERP C[C@@H](Cc1ccco1)[NH2+]CCC[NH2+]C(C)(C)C ZINC000042593896 175774778 /nfs/dbraw/zinc/77/47/78/175774778.db2.gz MINNFJPLIIJFQZ-LBPRGKRZSA-N 2 0 238.375 2.578 10 0 BFAERP C[C@@H](c1ccco1)[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049666201 176032519 /nfs/dbraw/zinc/03/25/19/176032519.db2.gz WPXCVALWJOAUDE-UPJWGTAASA-N 2 0 236.359 2.518 10 0 BFAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841866 176078407 /nfs/dbraw/zinc/07/84/07/176078407.db2.gz LMTCDEUWEIIYOI-KGLIPLIRSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)CC1CCC1 ZINC000061486488 176081033 /nfs/dbraw/zinc/08/10/33/176081033.db2.gz SWSYTOMEKNDSNS-HIFRSBDPSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C[NH3+])cc1 ZINC000022221976 176116568 /nfs/dbraw/zinc/11/65/68/176116568.db2.gz BKKDFQGYKDYOQB-CHWSQXEVSA-N 2 0 232.371 2.908 10 0 BFAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000104217896 176330168 /nfs/dbraw/zinc/33/01/68/176330168.db2.gz LZEWGADTNOYLOD-OLZOCXBDSA-N 2 0 238.419 2.600 10 0 BFAERP C[C@@H]1C[C@@H]1C[N@H+](C)CCC[NH2+]C1CCCCC1 ZINC000104409571 176391826 /nfs/dbraw/zinc/39/18/26/176391826.db2.gz LKYCTJZHJXBTQB-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H](c1cccs1)N1CCCC[C@@H]1C[NH3+] ZINC000044539549 177048514 /nfs/dbraw/zinc/04/85/14/177048514.db2.gz QKUAWXYNIWEFTB-GHMZBOCLSA-N 2 0 224.373 2.622 10 0 BFAERP C[C@H]1CCCC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000049819833 177075327 /nfs/dbraw/zinc/07/53/27/177075327.db2.gz MHPKJCNBNGDHCD-ZDUSSCGKSA-N 2 0 224.392 2.770 10 0 BFAERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000019401461 177101178 /nfs/dbraw/zinc/10/11/78/177101178.db2.gz FIJQTLIVNDBRRC-NSHDSACASA-N 2 0 236.334 2.516 10 0 BFAERP C[C@H]1CCC[C@@](C[NH3+])([NH+]2Cc3ccccc3C2)C1 ZINC000050910665 177127595 /nfs/dbraw/zinc/12/75/95/177127595.db2.gz GKJFGKSYIVOKJJ-XJKSGUPXSA-N 2 0 244.382 2.910 10 0 BFAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC(C)(C)C[NH2+]C1CC1 ZINC000051748536 177159099 /nfs/dbraw/zinc/15/90/99/177159099.db2.gz GQYXHHVUFOXRHA-QWHCGFSZSA-N 2 0 238.419 2.885 10 0 BFAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CCc2ccccc2)C1 ZINC000049664778 177160820 /nfs/dbraw/zinc/16/08/20/177160820.db2.gz LTUVGYHXIXONCF-CABCVRRESA-N 2 0 246.398 2.549 10 0 BFAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH+](C)C ZINC000095090641 177266487 /nfs/dbraw/zinc/26/64/87/177266487.db2.gz JCSYAXRFKNHZDK-KBPBESRZSA-N 2 0 246.398 2.705 10 0 BFAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH+](C)C ZINC000095090640 177266717 /nfs/dbraw/zinc/26/67/17/177266717.db2.gz JCSYAXRFKNHZDK-MZBDJJRSSA-N 2 0 246.398 2.705 10 0 BFAERP C[C@H]1C[NH2+]C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096985063 177285520 /nfs/dbraw/zinc/28/55/20/177285520.db2.gz XZJQKOZNXFMHON-GOEBONIOSA-N 2 0 244.382 2.508 10 0 BFAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CC2(C)CCCC2)C1 ZINC000104442360 177285760 /nfs/dbraw/zinc/28/57/60/177285760.db2.gz LSZMLHXDAVBEHI-KBPBESRZSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CC2CCCCC2)C1 ZINC000049666083 177285944 /nfs/dbraw/zinc/28/59/44/177285944.db2.gz NXKUPWCJDDORLF-KBPBESRZSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731327 177312715 /nfs/dbraw/zinc/31/27/15/177312715.db2.gz NXHKKSSTJBNWKE-IJEWVQPXSA-N 2 0 246.398 2.707 10 0 BFAERP C[C@H]1C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000120408696 177385404 /nfs/dbraw/zinc/38/54/04/177385404.db2.gz NFXFRXRNQRIEBD-SWLSCSKDSA-N 2 0 236.403 2.782 10 0 BFAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400362457 225098738 /nfs/dbraw/zinc/09/87/38/225098738.db2.gz OAMWURFYXLXZOW-KCQAQPDRSA-N 2 0 232.371 2.644 10 0 BFAERP Cc1cccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811632 226351949 /nfs/dbraw/zinc/35/19/49/226351949.db2.gz YOUNPUBBXRHTLW-KCQAQPDRSA-N 2 0 232.371 2.786 10 0 BFAERP C[C@H]([NH2+][C@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC000567639942 323034459 /nfs/dbraw/zinc/03/44/59/323034459.db2.gz JUSLYCOYLNKHQN-IIZVFWCOSA-N 2 0 236.403 2.543 10 0 BFAERP CC(C)CC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000391123845 323099302 /nfs/dbraw/zinc/09/93/02/323099302.db2.gz KJAZYGDIWQHPMM-ZDUSSCGKSA-N 2 0 226.408 2.790 10 0 BFAERP CCC(CC)(CC)C[NH2+]CC[C@H](C)[NH3+] ZINC000391322430 488104378 /nfs/dbraw/zinc/10/43/78/488104378.db2.gz GVPXNPDAGUZLRJ-NSHDSACASA-N 2 0 200.370 2.530 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757134911 582513086 /nfs/dbraw/zinc/51/30/86/582513086.db2.gz XKCXQDILYZKMNP-HZSPNIEDSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400500210 533813101 /nfs/dbraw/zinc/81/31/01/533813101.db2.gz BVQADTUNIWQRMH-JHJVBQTASA-N 2 0 226.408 2.789 10 0 BFAERP CCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C ZINC000242463854 520595576 /nfs/dbraw/zinc/59/55/76/520595576.db2.gz DONJKILCTURYAC-ZIAGYGMSSA-N 2 0 226.408 2.885 10 0 BFAERP C[C@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000247954482 525099807 /nfs/dbraw/zinc/09/98/07/525099807.db2.gz ZOZDGKPSUAGAMX-HCZIRCDUSA-N 2 0 246.398 2.879 10 0 BFAERP CCC1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400533085 527858714 /nfs/dbraw/zinc/85/87/14/527858714.db2.gz SFISQNSPMNPPLX-RJZJGCCBSA-N 2 0 224.392 2.543 10 0 BFAERP CCCC1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400320239 528079196 /nfs/dbraw/zinc/07/91/96/528079196.db2.gz AWRLVZKWAIHTQR-FGZQJIAISA-N 2 0 238.419 2.933 10 0 BFAERP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400548475 529315912 /nfs/dbraw/zinc/31/59/12/529315912.db2.gz WQRYLGCHRAOHQX-SYQHCUMBSA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000252512907 535824669 /nfs/dbraw/zinc/82/46/69/535824669.db2.gz DLHNMUKHODWIRF-CBBWQLFWSA-N 2 0 236.403 2.782 10 0 BFAERP CCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757123505 582498538 /nfs/dbraw/zinc/49/85/38/582498538.db2.gz ACXDYQKKBMQOMG-KGLIPLIRSA-N 2 0 224.392 2.641 10 0 BFAERP C[C@@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126923 582501505 /nfs/dbraw/zinc/50/15/05/582501505.db2.gz HRRSUWBCXJKVMU-ZFWWWQNUSA-N 2 0 236.403 2.641 10 0 BFAERP C[C@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCC1CCC1 ZINC000757129412 582504141 /nfs/dbraw/zinc/50/41/41/582504141.db2.gz LGKZCQLUWQUAMC-UKRRQHHQSA-N 2 0 236.403 2.783 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757134927 582513021 /nfs/dbraw/zinc/51/30/21/582513021.db2.gz XKCXQDILYZKMNP-MELADBBJSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757134987 582513807 /nfs/dbraw/zinc/51/38/07/582513807.db2.gz XOKBWTOXJLXZPB-UMVBOHGHSA-N 2 0 236.403 2.782 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757131119 586426306 /nfs/dbraw/zinc/42/63/06/586426306.db2.gz PILGFWBOIHHMLK-JSGCOSHPSA-N 2 0 224.392 2.782 10 0 BFAERP [NH3+]CC[C@@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757206824 586437446 /nfs/dbraw/zinc/43/74/46/586437446.db2.gz AOAGAXYCOXYLKN-SMDDNHRTSA-N 2 0 243.354 2.557 10 0 BFAERP CC1(c2ccc([C@H]3C[C@H](C[NH3+])CC[NH2+]3)cc2)CC1 ZINC000757208436 586437709 /nfs/dbraw/zinc/43/77/09/586437709.db2.gz CRIVSLNVFUGBRX-IUODEOHRSA-N 2 0 244.382 2.738 10 0 BFAERP CC1(c2ccc([C@@H]3CC[C@@H](C[NH3+])C[NH2+]3)cc2)CC1 ZINC000757217690 586441609 /nfs/dbraw/zinc/44/16/09/586441609.db2.gz RYBQVXCYEXUUBU-WFASDCNBSA-N 2 0 244.382 2.738 10 0 BFAERP C[C@@H]1[NH2+]CCC[C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757236298 586443532 /nfs/dbraw/zinc/44/35/32/586443532.db2.gz NWDPZEBNCKQGLB-XHDPSFHLSA-N 2 0 244.382 2.878 10 0 BFAERP [NH3+]C[C@@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757237905 586443568 /nfs/dbraw/zinc/44/35/68/586443568.db2.gz QUGYVTKMGHXBJA-XVKPBYJWSA-N 2 0 246.326 2.685 10 0 BFAERP C[C@@H]1C[NH2+]CC[C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757237166 586443827 /nfs/dbraw/zinc/44/38/27/586443827.db2.gz PMFGZBLFJMHVPU-IAQYHMDHSA-N 2 0 244.382 2.736 10 0 BFAERP C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757237152 586443862 /nfs/dbraw/zinc/44/38/62/586443862.db2.gz PMFGZBLFJMHVPU-ABAIWWIYSA-N 2 0 244.382 2.736 10 0 BFAERP [NH3+]C[C@@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757237897 586443871 /nfs/dbraw/zinc/44/38/71/586443871.db2.gz QUGYVTKMGHXBJA-OIBJUYFYSA-N 2 0 246.326 2.685 10 0 BFAERP C[C@H]1C[C@H](c2ccc(C3CC3)c(C[NH3+])c2)CC[NH2+]1 ZINC000757243109 586445265 /nfs/dbraw/zinc/44/52/65/586445265.db2.gz ZKDJGZZUNJTRIA-SMDDNHRTSA-N 2 0 244.382 2.878 10 0 BFAERP CCC[N@@H+]1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000076453356 641174954 /nfs/dbraw/zinc/17/49/54/641174954.db2.gz ALGCXVBUFFWJPH-MRXNPFEDSA-N 2 0 246.398 2.551 10 0 BFAERP Cc1cc(NCC2CC([NH3+])C2)c2ccccc2[nH+]1 ZINC000091525954 644628992 /nfs/dbraw/zinc/62/89/92/644628992.db2.gz NBWISEITIZRLIB-UHFFFAOYSA-N 2 0 241.338 2.692 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@]12C[C@@H]1CCCC2 ZINC000708865593 712201323 /nfs/dbraw/zinc/20/13/23/712201323.db2.gz JWFWNQLXKZSWJB-BYNSBNAKSA-N 2 0 236.403 2.687 10 0 BFAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@]12C[C@H]1CCCC2 ZINC000709161782 712211070 /nfs/dbraw/zinc/21/10/70/712211070.db2.gz HZRLWGGBCUSZOR-DXGYCSDQSA-N 2 0 236.403 2.815 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCCC2(C)C)CC1 ZINC000714753180 712497361 /nfs/dbraw/zinc/49/73/61/712497361.db2.gz HXXPGRIBUUNWBW-LBPRGKRZSA-N 2 0 224.392 2.768 10 0 BFAERP CC[C@H]([C@H]1C[C@@H]1C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752981 712497407 /nfs/dbraw/zinc/49/74/07/712497407.db2.gz GPCHSFBLSXZFDB-RWMBFGLXSA-N 2 0 224.392 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCCC23CCC3)CC1 ZINC000714754047 712497696 /nfs/dbraw/zinc/49/76/96/712497696.db2.gz OWFRNMWWBPOZBD-ZDUSSCGKSA-N 2 0 236.403 2.913 10 0 BFAERP CC(C)CCCCCC[NH2+]C1CC[NH2+]CC1 ZINC000038040770 712801203 /nfs/dbraw/zinc/80/12/03/712801203.db2.gz ZSJAPKAVLKSVTN-UHFFFAOYSA-N 2 0 226.408 2.935 10 0 BFAERP C[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000685953995 538898503 /nfs/dbraw/zinc/89/85/03/538898503.db2.gz KFEWITYVXVMMAX-LLVKDONJSA-N 2 0 224.392 2.624 10 0 BFAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685952695 538897041 /nfs/dbraw/zinc/89/70/41/538897041.db2.gz CBXMIICWJNIQHQ-TZMCWYRMSA-N 2 0 224.392 2.767 10 0 BFAERP CCC(CC)(C[NH3+])C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051206821 168323078 /nfs/dbraw/zinc/32/30/78/168323078.db2.gz FAWIMNZRSQJWES-BETUJISGSA-N 2 0 226.408 2.729 10 0 BFAERP CCC(CC)(C[NH3+])C[N@@H+]1CCCC[C@@H]1C ZINC000051208820 168323209 /nfs/dbraw/zinc/32/32/09/168323209.db2.gz ZVOANWJGXIXBDM-LBPRGKRZSA-N 2 0 212.381 2.626 10 0 BFAERP C[C@](C[NH3+])([NH2+]Cc1ccccc1)[C@@H]1CC1(C)C ZINC000307504808 398173488 /nfs/dbraw/zinc/17/34/88/398173488.db2.gz POVZAGUICUKKAG-UKRRQHHQSA-N 2 0 232.371 2.540 10 0 BFAERP C[C@@](C[NH3+])([NH2+]Cc1ccccc1)[C@H]1CC1(C)C ZINC000307504809 398173531 /nfs/dbraw/zinc/17/35/31/398173531.db2.gz POVZAGUICUKKAG-ZFWWWQNUSA-N 2 0 232.371 2.540 10 0 BFAERP CC[C@H]([NH2+]CCCC[NH+](C)C)C(C)(C)C ZINC000336763442 398216436 /nfs/dbraw/zinc/21/64/36/398216436.db2.gz OXIAKLFIPJSYMS-LBPRGKRZSA-N 2 0 214.397 2.743 10 0 BFAERP Cc1cc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000302586139 178191067 /nfs/dbraw/zinc/19/10/67/178191067.db2.gz UVHYAOPFVHHGQS-RISCZKNCSA-N 2 0 233.359 2.531 10 0 BFAERP CCC1(C)CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000229546817 538939291 /nfs/dbraw/zinc/93/92/91/538939291.db2.gz VSBPRJUTXNMCLK-CHWSQXEVSA-N 2 0 224.392 2.639 10 0 BFAERP CCC(CC)C[C@H](C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000068591035 168367449 /nfs/dbraw/zinc/36/74/49/168367449.db2.gz ZTIWCHDIIPTXKU-OLZOCXBDSA-N 2 0 212.381 2.530 10 0 BFAERP CCC(CC)[N@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000036788563 168369584 /nfs/dbraw/zinc/36/95/84/168369584.db2.gz YJKLJXZQCVNSFI-UHFFFAOYSA-N 2 0 238.350 2.905 10 0 BFAERP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000042585633 538978145 /nfs/dbraw/zinc/97/81/45/538978145.db2.gz CXACZWZWKVNPBP-TZMCWYRMSA-N 2 0 226.408 2.741 10 0 BFAERP CCC(CC)[C@@H](C[NH3+])N(C)Cc1ccc(C)o1 ZINC000035699326 168399985 /nfs/dbraw/zinc/39/99/85/168399985.db2.gz LKDUIPQXDWHWIO-CQSZACIVSA-N 2 0 238.375 2.783 10 0 BFAERP Cc1ccc(C)c(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258723880 136373846 /nfs/dbraw/zinc/37/38/46/136373846.db2.gz IPOGTYAEBLTHSU-HNNXBMFYSA-N 2 0 246.398 2.863 10 0 BFAERP CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@H]1[NH3+] ZINC000249705317 362276242 /nfs/dbraw/zinc/27/62/42/362276242.db2.gz HTTARJQCGFRWMQ-HUUCEWRRSA-N 2 0 232.371 2.636 10 0 BFAERP CCC(C)(C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000635020025 345222741 /nfs/dbraw/zinc/22/27/41/345222741.db2.gz JJCAVKREHZRFTP-UHFFFAOYSA-N 2 0 212.381 2.672 10 0 BFAERP CC(C)=CC[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000236626298 192089079 /nfs/dbraw/zinc/08/90/79/192089079.db2.gz DITBQPGJEZNRBG-UHFFFAOYSA-N 2 0 224.392 2.664 10 0 BFAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cccs1 ZINC000257351777 345773613 /nfs/dbraw/zinc/77/36/13/345773613.db2.gz HBBCVNYYJWJBFD-GMTAPVOTSA-N 2 0 224.373 2.669 10 0 BFAERP Cc1ccc([C@H]2C[C@H]([NH3+])CCN2C)cc1Cl ZINC000082328947 537969191 /nfs/dbraw/zinc/96/91/91/537969191.db2.gz NOMFBKJFUXAJSA-DGCLKSJQSA-N 2 0 238.762 2.742 10 0 BFAERP Cc1cccc(C[N@@H+](CCC(N)=[NH2+])C(C)C)c1 ZINC000042529713 179070942 /nfs/dbraw/zinc/07/09/42/179070942.db2.gz QWIYNQCXQNMTGP-UHFFFAOYSA-N 2 0 233.359 2.531 10 0 BFAERP Cc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C)CC2)c1 ZINC000044390361 179074174 /nfs/dbraw/zinc/07/41/74/179074174.db2.gz ZYAISSVLKVARFY-AWEZNQCLSA-N 2 0 232.371 2.569 10 0 BFAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713906 179335569 /nfs/dbraw/zinc/33/55/69/179335569.db2.gz NQGULSQWKZVUPQ-IPYPFGDCSA-N 2 0 232.371 2.725 10 0 BFAERP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382217419 490137306 /nfs/dbraw/zinc/13/73/06/490137306.db2.gz VCTWTAMXIQTGNU-NWDGAFQWSA-N 2 0 248.361 2.775 10 0 BFAERP CC(C)C1([NH+]2CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000725267118 538097467 /nfs/dbraw/zinc/09/74/67/538097467.db2.gz ODUWACWEWHXEKJ-UHFFFAOYSA-N 2 0 238.419 2.887 10 0 BFAERP Cc1oc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cc1C[NH3+] ZINC000052509991 180532076 /nfs/dbraw/zinc/53/20/76/180532076.db2.gz KHPOVLSEDUJILB-MNOVXSKESA-N 2 0 236.359 2.667 10 0 BFAERP CC[N@H+](Cc1ccccc1)[C@H](C)CCC[NH2+]C ZINC000052443786 351001508 /nfs/dbraw/zinc/00/15/08/351001508.db2.gz BNDSTKIIYJQFQW-CQSZACIVSA-N 2 0 234.387 2.897 10 0 BFAERP CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616679659 351245884 /nfs/dbraw/zinc/24/58/84/351245884.db2.gz WWHFACPIYGHROJ-AWEZNQCLSA-N 2 0 232.371 2.733 10 0 BFAERP C[NH+](C)[C@@H]1CCCCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000606304173 351562004 /nfs/dbraw/zinc/56/20/04/351562004.db2.gz QXYNAXVCGREYHQ-MGPQQGTHSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)[NH+](C(C)C)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270229 538102579 /nfs/dbraw/zinc/10/25/79/538102579.db2.gz JAOZMUXNYPNBGM-ROKHWSDSSA-N 2 0 224.392 2.765 10 0 BFAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000036915193 188113517 /nfs/dbraw/zinc/11/35/17/188113517.db2.gz CFIBAIOMJHVWDI-BPLDGKMQSA-N 2 0 238.419 2.870 10 0 BFAERP NC(=[NH2+])CCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000049579750 181186176 /nfs/dbraw/zinc/18/61/76/181186176.db2.gz FHNIZKYLXJMZIR-STQMWFEESA-N 2 0 237.391 2.747 10 0 BFAERP CC1CCC(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415035075 191659237 /nfs/dbraw/zinc/65/92/37/191659237.db2.gz KLICOLFMEPTTKQ-PQAZSJQKSA-N 2 0 224.392 2.530 10 0 BFAERP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC000415048755 191662361 /nfs/dbraw/zinc/66/23/61/191662361.db2.gz XHYMVIVJOGASDR-MQYQWHSLSA-N 2 0 238.419 2.918 10 0 BFAERP C[C@H]1CCC[N@H+](C2CC3(C2)CC[NH2+]CC3)[C@H]1C ZINC000675069276 538498533 /nfs/dbraw/zinc/49/85/33/538498533.db2.gz DVIPKKBDSCCIGT-STQMWFEESA-N 2 0 236.403 2.639 10 0 BFAERP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000134765278 358804934 /nfs/dbraw/zinc/80/49/34/358804934.db2.gz XUFYTJTXECUFCS-TZMCWYRMSA-N 2 0 224.392 2.637 10 0 BFAERP CCC[C@H]1C[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000134765297 358805173 /nfs/dbraw/zinc/80/51/73/358805173.db2.gz XUFYTJTXECUFCS-GXTWGEPZSA-N 2 0 224.392 2.637 10 0 BFAERP C[C@@H](CCC[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000094948046 360328490 /nfs/dbraw/zinc/32/84/90/360328490.db2.gz SMIBEUZBZBGALD-NSHDSACASA-N 2 0 229.327 2.774 10 0 BFAERP [NH3+]CC1([N@@H+]2C[C@H]3CC[C@@H]2C3)CCCCCCC1 ZINC000049716009 181360523 /nfs/dbraw/zinc/36/05/23/181360523.db2.gz NFJLZFFQHXCQCX-UONOGXRCSA-N 2 0 236.403 2.913 10 0 BFAERP NCC1([NH+]2CCCC2)CCCCCCC1 ZINC000019481644 181360374 /nfs/dbraw/zinc/36/03/74/181360374.db2.gz APYPYEAGVGHOLU-UHFFFAOYSA-N 2 0 210.365 2.524 10 0 BFAERP C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000573711433 364898051 /nfs/dbraw/zinc/89/80/51/364898051.db2.gz SKSXINQMEGSOKH-MJBXVCDLSA-N 2 0 238.419 2.790 10 0 BFAERP [NH3+]CCCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000049580715 181375408 /nfs/dbraw/zinc/37/54/08/181375408.db2.gz QODGFLXFKZRKBT-OAHLLOKOSA-N 2 0 232.371 2.953 10 0 BFAERP [NH3+]CCC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000104319673 181385782 /nfs/dbraw/zinc/38/57/82/181385782.db2.gz GBSYQIHDGFHEPL-AWEZNQCLSA-N 2 0 236.334 2.529 10 0 BFAERP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000574544100 365087196 /nfs/dbraw/zinc/08/71/96/365087196.db2.gz IJJMSAVRSOCNKD-GDBMZVCRSA-N 2 0 246.398 2.515 10 0 BFAERP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000381378461 367391476 /nfs/dbraw/zinc/39/14/76/367391476.db2.gz KMDZLGGDXYVZCX-QWHCGFSZSA-N 2 0 226.408 2.743 10 0 BFAERP Cc1scc(C[NH2+]C2CCC([NH3+])CC2)c1C ZINC000399796947 368585046 /nfs/dbraw/zinc/58/50/46/368585046.db2.gz DWXVTEPXIOYBKY-UHFFFAOYSA-N 2 0 238.400 2.724 10 0 BFAERP [NH3+][C@H](CCC[NH+]1CCCCC1)c1ccccc1 ZINC000071401629 181615145 /nfs/dbraw/zinc/61/51/45/181615145.db2.gz DFTWLMYNSWORDK-OAHLLOKOSA-N 2 0 232.371 2.953 10 0 BFAERP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631839315 372635723 /nfs/dbraw/zinc/63/57/23/372635723.db2.gz DNPUNODYVKHHBJ-IPYPFGDCSA-N 2 0 232.371 2.583 10 0 BFAERP Cc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631839316 372637091 /nfs/dbraw/zinc/63/70/91/372637091.db2.gz DNPUNODYVKHHBJ-KCQAQPDRSA-N 2 0 232.371 2.583 10 0 BFAERP CCC[NH+](CCC)Cc1cc(C[NH2+]C)oc1C ZINC000052416874 169149447 /nfs/dbraw/zinc/14/94/47/169149447.db2.gz FBXQORMEDNCKRS-UHFFFAOYSA-N 2 0 238.375 2.929 10 0 BFAERP CCCN(CC)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971310 169131894 /nfs/dbraw/zinc/13/18/94/169131894.db2.gz MSCUIEGMWXGZNF-RISCZKNCSA-N 2 0 238.350 2.946 10 0 BFAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CC)CCOCC ZINC000104190910 169256383 /nfs/dbraw/zinc/25/63/83/169256383.db2.gz QFEJMVFQSSTKHB-CQSZACIVSA-N 2 0 244.423 2.513 10 0 BFAERP c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000096895236 183398483 /nfs/dbraw/zinc/39/84/83/183398483.db2.gz YENIKBKOHNVCKT-JKSUJKDBSA-N 2 0 244.382 2.651 10 0 BFAERP CCC[C@@H](C)[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000036790811 169364918 /nfs/dbraw/zinc/36/49/18/169364918.db2.gz JFKBOGJTHZIPFE-LLVKDONJSA-N 2 0 233.359 2.591 10 0 BFAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052480558 169364999 /nfs/dbraw/zinc/36/49/99/169364999.db2.gz LTMZJZKDQDSDJA-LLVKDONJSA-N 2 0 238.375 2.928 10 0 BFAERP CCC[C@@H]([NH3+])[C@@H](CC)N(CC)Cc1ccncc1 ZINC000042515696 169393189 /nfs/dbraw/zinc/39/31/89/169393189.db2.gz QHDUIPVQFZJELG-HUUCEWRRSA-N 2 0 249.402 2.810 10 0 BFAERP CCC[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336740326 169419234 /nfs/dbraw/zinc/41/92/34/169419234.db2.gz QBERIZVUOLNTPG-ZIAGYGMSSA-N 2 0 226.408 2.887 10 0 BFAERP C[C@H]1C[C@@H]([NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592746 384001955 /nfs/dbraw/zinc/00/19/55/384001955.db2.gz ZJJABKUGECYXQM-SFDCQRBFSA-N 2 0 232.371 2.633 10 0 BFAERP C[C@H](C[C@@H](C[NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC000068591376 384001786 /nfs/dbraw/zinc/00/17/86/384001786.db2.gz JLVMJCURVBWAAI-CJNGLKHVSA-N 2 0 246.398 2.755 10 0 BFAERP C[C@@H](C[C@@H](C[NH3+])[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591121 384001823 /nfs/dbraw/zinc/00/18/23/384001823.db2.gz XPOCUETWGWPYKX-BPUTZDHNSA-N 2 0 246.398 2.897 10 0 BFAERP C[C@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000335213544 384862342 /nfs/dbraw/zinc/86/23/42/384862342.db2.gz CYKZCZMSRXKEDC-NWDGAFQWSA-N 2 0 224.392 2.543 10 0 BFAERP C[C@H](C[NH3+])C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000309319420 384984582 /nfs/dbraw/zinc/98/45/82/384984582.db2.gz GUMFHLACNOYZBK-AGIUHOORSA-N 2 0 226.408 2.776 10 0 BFAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062615858 385246865 /nfs/dbraw/zinc/24/68/65/385246865.db2.gz UXJYGWHQMKGXHA-OAHLLOKOSA-N 2 0 232.371 2.507 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000169616713 385415927 /nfs/dbraw/zinc/41/59/27/385415927.db2.gz ZJJABKUGECYXQM-QVHKTLOISA-N 2 0 232.371 2.633 10 0 BFAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000405346058 385507747 /nfs/dbraw/zinc/50/77/47/385507747.db2.gz GKTGPRSRDYGXQV-GMTAPVOTSA-N 2 0 246.345 2.527 10 0 BFAERP FC1(F)CCC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335020869 385981367 /nfs/dbraw/zinc/98/13/67/385981367.db2.gz CIJFTFMJVUZWKA-NEPJUHHUSA-N 2 0 246.345 2.544 10 0 BFAERP C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414804846 386609116 /nfs/dbraw/zinc/60/91/16/386609116.db2.gz PDPCOSHNRAVDNW-BNOWGMLFSA-N 2 0 224.392 2.672 10 0 BFAERP c1ccc([C@H]2CCCCN2[C@H]2CC[NH2+]C2)cc1 ZINC000575332133 386680661 /nfs/dbraw/zinc/68/06/61/386680661.db2.gz QQVJBDKBHYPDFV-LSDHHAIUSA-N 2 0 230.355 2.576 10 0 BFAERP CCCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC1 ZINC000391883758 386691245 /nfs/dbraw/zinc/69/12/45/386691245.db2.gz WENUHRUIXIKYME-CYBMUJFWSA-N 2 0 224.392 2.689 10 0 BFAERP c1ccc(C2CC([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000334855549 386907335 /nfs/dbraw/zinc/90/73/35/386907335.db2.gz ILINPVLOAYYJMP-HWOWSKLDSA-N 2 0 244.382 2.664 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000575439529 387124008 /nfs/dbraw/zinc/12/40/08/387124008.db2.gz DUDJFBOFJKLYKX-NSHDSACASA-N 2 0 230.714 2.608 10 0 BFAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000575439485 387124577 /nfs/dbraw/zinc/12/45/77/387124577.db2.gz AIVPFHBOVJOUFH-NSHDSACASA-N 2 0 230.714 2.608 10 0 BFAERP Cc1ccc(F)c([C@H]([NH3+])CCCC[NH3+])c1Cl ZINC000575439813 387125325 /nfs/dbraw/zinc/12/53/25/387125325.db2.gz YDBSLNBPHMTUPY-SNVBAGLBSA-N 2 0 244.741 2.916 10 0 BFAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000575440266 387127860 /nfs/dbraw/zinc/12/78/60/387127860.db2.gz YEDSVNQXOBLVNB-SECBINFHSA-N 2 0 233.142 2.732 10 0 BFAERP CCSc1ccc([C@H]([NH3+])CCCC[NH3+])cc1 ZINC000575438380 387129109 /nfs/dbraw/zinc/12/91/09/387129109.db2.gz JSYQEGQMZJELEW-CYBMUJFWSA-N 2 0 238.400 2.927 10 0 BFAERP c1ccc2c(NCC3CC[NH2+]CC3)cc[nH+]c2c1 ZINC000044509240 387510525 /nfs/dbraw/zinc/51/05/25/387510525.db2.gz LIBCVSAMLQXEJM-UHFFFAOYSA-N 2 0 241.338 2.646 10 0 BFAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000151450391 387841437 /nfs/dbraw/zinc/84/14/37/387841437.db2.gz DAFRETNCQUMLAF-OLZOCXBDSA-N 2 0 226.408 2.741 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084218126 388075101 /nfs/dbraw/zinc/07/51/01/388075101.db2.gz VDGSGEPMAXDCKA-BFHYXJOUSA-N 2 0 226.408 2.918 10 0 BFAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCOc2ccccc21 ZINC000336785691 388471188 /nfs/dbraw/zinc/47/11/88/388471188.db2.gz AJWHEJXUZDBXNB-JSGCOSHPSA-N 2 0 248.370 2.617 10 0 BFAERP CC1CCC(C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000345192565 388511095 /nfs/dbraw/zinc/51/10/95/388511095.db2.gz YVJHPAKLFSRKCN-UHFFFAOYSA-N 2 0 236.403 2.664 10 0 BFAERP C[NH+](C)CC[C@H]([NH3+])c1cccc2ccccc21 ZINC000001730806 388587367 /nfs/dbraw/zinc/58/73/67/388587367.db2.gz OKILUWJRJYUHTO-HNNXBMFYSA-N 2 0 228.339 2.791 10 0 BFAERP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000530219907 388631756 /nfs/dbraw/zinc/63/17/56/388631756.db2.gz SAGVTNLUIJIKEX-LLVKDONJSA-N 2 0 248.361 2.790 10 0 BFAERP [NH3+]C1CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000530224293 388634372 /nfs/dbraw/zinc/63/43/72/388634372.db2.gz WEAZRXOMAFBURY-HSBZDZAISA-N 2 0 222.376 2.592 10 0 BFAERP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400453880 533366226 /nfs/dbraw/zinc/36/62/26/533366226.db2.gz PKEZNVGGUCVZDZ-OCCSQVGLSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC000227489418 134381268 /nfs/dbraw/zinc/38/12/68/134381268.db2.gz JUCRMKSZROCLIU-SHWKFHJASA-N 2 0 238.419 2.872 10 0 BFAERP CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252751359 135107176 /nfs/dbraw/zinc/10/71/76/135107176.db2.gz ADSZFYIKBJKCOW-XQQFMLRXSA-N 2 0 212.381 2.543 10 0 BFAERP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000258643238 135132599 /nfs/dbraw/zinc/13/25/99/135132599.db2.gz DAOZMOTXISOOSF-HNNXBMFYSA-N 2 0 246.398 2.808 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000258678893 135133449 /nfs/dbraw/zinc/13/34/49/135133449.db2.gz FYBGQZDDQIUBSQ-OAHLLOKOSA-N 2 0 246.398 2.863 10 0 BFAERP CC1CCC(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261541253 135180779 /nfs/dbraw/zinc/18/07/79/135180779.db2.gz BALARCRLYAZVPC-JXQTWKCFSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261589299 135230530 /nfs/dbraw/zinc/23/05/30/135230530.db2.gz WGMRZXIJZAVVGZ-OAHLLOKOSA-N 2 0 246.398 2.863 10 0 BFAERP CC(C)C[NH2+]Cc1ccoc1C[NH+]1CCCC1 ZINC000052377372 167010738 /nfs/dbraw/zinc/01/07/38/167010738.db2.gz HZIDQJBNXNMULE-UHFFFAOYSA-N 2 0 236.359 2.621 10 0 BFAERP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H]2C)o1 ZINC000052375745 167118587 /nfs/dbraw/zinc/11/85/87/167118587.db2.gz XGWBZSPQYYDIDJ-LBPRGKRZSA-N 2 0 236.359 2.762 10 0 BFAERP CC(C)[NH2+]Cc1cccc(C[N@H+](C)C2CC2)c1 ZINC000052445257 167118943 /nfs/dbraw/zinc/11/89/43/167118943.db2.gz AVHQJCLRDMTBCG-UHFFFAOYSA-N 2 0 232.371 2.779 10 0 BFAERP CC(C)[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000049900856 167121654 /nfs/dbraw/zinc/12/16/54/167121654.db2.gz JFDQTWSCPHKXRM-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128636 167384568 /nfs/dbraw/zinc/38/45/68/167384568.db2.gz JCKFUQJDFQBUBY-CYBMUJFWSA-N 2 0 234.387 2.882 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CCCc3ccccc32)C1 ZINC000401884594 411168185 /nfs/dbraw/zinc/16/81/85/411168185.db2.gz SHCYALFQCHZXNI-NOLJZWGESA-N 2 0 244.382 2.652 10 0 BFAERP Cc1ccc([C@@H](C)NCc2cnc3n2CCC3)o1 ZINC000657292315 411453412 /nfs/dbraw/zinc/45/34/12/411453412.db2.gz MCPOWONHSGPUEU-LLVKDONJSA-N 2 0 245.326 2.582 10 0 BFAERP C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415094289 411490818 /nfs/dbraw/zinc/49/08/18/411490818.db2.gz DPARIIAEMRZWGE-IPYPFGDCSA-N 2 0 238.419 2.933 10 0 BFAERP CC[NH2+]C1CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000042864257 170108626 /nfs/dbraw/zinc/10/86/26/170108626.db2.gz YSKAKQWYOXXQLK-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]C1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000042864263 170108779 /nfs/dbraw/zinc/10/87/79/170108779.db2.gz YSKAKQWYOXXQLK-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]CC1(C[N@H+](C)CC2CCC2)CCCC1 ZINC000061484324 170111024 /nfs/dbraw/zinc/11/10/24/170111024.db2.gz VEONRKJJECAZEX-UHFFFAOYSA-N 2 0 238.419 2.888 10 0 BFAERP CC[NH2+]CC(CC)(CC)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000051253134 170111045 /nfs/dbraw/zinc/11/10/45/170111045.db2.gz AICJXTCTVSKWLN-UONOGXRCSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]CC[C@@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000062945580 170116552 /nfs/dbraw/zinc/11/65/52/170116552.db2.gz VBKWZLWZNQCHIM-CQSZACIVSA-N 2 0 246.398 2.823 10 0 BFAERP CC[NH2+]C[C@@H](CC)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482221 170118941 /nfs/dbraw/zinc/11/89/41/170118941.db2.gz IQDAHEDMGIWYSN-RRFJBIMHSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]C[C@@H](C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546573 170118977 /nfs/dbraw/zinc/11/89/77/170118977.db2.gz QPGLKKAKBPTSPH-HZSPNIEDSA-N 2 0 226.408 2.743 10 0 BFAERP CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000053654080 170119805 /nfs/dbraw/zinc/11/98/05/170119805.db2.gz JUCRUSFSIGGCTD-HNNXBMFYSA-N 2 0 246.398 2.817 10 0 BFAERP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035309 170119987 /nfs/dbraw/zinc/11/99/87/170119987.db2.gz IADXMXBYJQNSHP-KBPBESRZSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+]C[C@](C)(C[NH+](CC)CC)c1ccccc1 ZINC000051208636 170123586 /nfs/dbraw/zinc/12/35/86/170123586.db2.gz GJFZICNNPGVWLR-MRXNPFEDSA-N 2 0 248.414 2.896 10 0 BFAERP CC[NH2+]Cc1coc(C[N@H+](C)CC(C)(C)C)c1 ZINC000052570140 170130301 /nfs/dbraw/zinc/13/03/01/170130301.db2.gz CSTSOHVMVIYXQR-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CC[NH2+]Cc1occc1C[N@H+](C)CC(C)(C)C ZINC000052570092 170133026 /nfs/dbraw/zinc/13/30/26/170133026.db2.gz WFWLWFBGEPDKPE-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CC[NH2+][C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710713 170152329 /nfs/dbraw/zinc/15/23/29/170152329.db2.gz OWIUPWHXSBUNDQ-DZGCQCFKSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1C[NH+](C)C ZINC000053864619 170154288 /nfs/dbraw/zinc/15/42/88/170154288.db2.gz PSYZYOURVHJHFB-HZSPNIEDSA-N 2 0 240.435 2.989 10 0 BFAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000061822433 170167241 /nfs/dbraw/zinc/16/72/41/170167241.db2.gz ORVNDACZASEICM-KBPBESRZSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000049709493 170168263 /nfs/dbraw/zinc/16/82/63/170168263.db2.gz IVYQQCBKNZFUIC-ZQDZILKHSA-N 2 0 238.419 2.885 10 0 BFAERP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C(C)(C)C ZINC000336742770 170892674 /nfs/dbraw/zinc/89/26/74/170892674.db2.gz SMTJSIQPJDEQQE-CYBMUJFWSA-N 2 0 224.392 2.663 10 0 BFAERP CC[C@@H]1CC[N@H+](CC2CCC2)CC[C@H](C)[NH2+]1 ZINC000049665857 171008683 /nfs/dbraw/zinc/00/86/83/171008683.db2.gz HZKLYJIVTHAHJE-GXTWGEPZSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)CCC[NH2+]1 ZINC000049668064 171009294 /nfs/dbraw/zinc/00/92/94/171009294.db2.gz HUZPTPOPLDAXDH-CQSZACIVSA-N 2 0 236.403 2.639 10 0 BFAERP CC[C@@H]1CC[N@H+](CCC(C)C)CC[C@H](C)[NH2+]1 ZINC000049663254 171010070 /nfs/dbraw/zinc/01/00/70/171010070.db2.gz QVAMNBUWDMDWCG-UONOGXRCSA-N 2 0 226.408 2.885 10 0 BFAERP CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)CCC[NH2+]1 ZINC000049664727 171012486 /nfs/dbraw/zinc/01/24/86/171012486.db2.gz CLZWUMOXWDADAM-MRXNPFEDSA-N 2 0 246.398 2.959 10 0 BFAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](C[NH+]2CCCCC2)C1 ZINC000053862468 171056946 /nfs/dbraw/zinc/05/69/46/171056946.db2.gz JOHHGKRFYOLAML-ILXRZTDVSA-N 2 0 238.419 2.887 10 0 BFAERP CC[C@H](C)C[N@H+](C)Cc1cc(C)c(C[NH2+]C)o1 ZINC000052454495 171275032 /nfs/dbraw/zinc/27/50/32/171275032.db2.gz XLRLMZGZZAPMOP-NSHDSACASA-N 2 0 238.375 2.785 10 0 BFAERP CC[C@H](C)[N@H+](CC)Cc1cc(C[NH2+]C)oc1C ZINC000052451495 171312161 /nfs/dbraw/zinc/31/21/61/171312161.db2.gz TUSCKDZEZJWDBM-NSHDSACASA-N 2 0 238.375 2.928 10 0 BFAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294711 412081240 /nfs/dbraw/zinc/08/12/40/412081240.db2.gz SDSXEFMNPDKVIE-ZFWWWQNUSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]1CC(C[NH2+][C@H]2CCC[NH2+]CC2)C[C@H](C)C1 ZINC000665239699 412177682 /nfs/dbraw/zinc/17/76/82/412177682.db2.gz XSGGDZGFSXEQNY-NFAWXSAZSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C[C@@H](C)C1 ZINC000665239698 412177931 /nfs/dbraw/zinc/17/79/31/412177931.db2.gz XSGGDZGFSXEQNY-CBBWQLFWSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000665239072 412179700 /nfs/dbraw/zinc/17/97/00/412179700.db2.gz LJSVCHWUSJEDQF-ZQNQSHIBSA-N 2 0 238.419 2.646 10 0 BFAERP C[C@@H]1CC(C[NH2+]C2CCC([NH3+])CC2)C[C@@H](C)C1 ZINC000665238944 412180540 /nfs/dbraw/zinc/18/05/40/412180540.db2.gz IANKXZJXEWQFOU-XOEAPDPESA-N 2 0 238.419 2.918 10 0 BFAERP C[N@H+](CC1(C[NH3+])CCCCC1)C1CCCC1 ZINC000051215509 172638811 /nfs/dbraw/zinc/63/88/11/172638811.db2.gz NESOMDGOVCFEAW-UHFFFAOYSA-N 2 0 224.392 2.770 10 0 BFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC(C)(C)C)C2 ZINC000076673922 173205851 /nfs/dbraw/zinc/20/58/51/173205851.db2.gz LRJGPVVREWLJLF-YHWZYXNKSA-N 2 0 224.392 2.637 10 0 BFAERP C[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011165 173370110 /nfs/dbraw/zinc/37/01/10/173370110.db2.gz GERPPESXPQPPEZ-ZDUSSCGKSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000052379064 173390605 /nfs/dbraw/zinc/39/06/05/173390605.db2.gz GVIXPXSGVPIDGL-CYBMUJFWSA-N 2 0 232.371 2.780 10 0 BFAERP C[NH2+]Cc1oc(C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000052381691 173399805 /nfs/dbraw/zinc/39/98/05/173399805.db2.gz COISLVIWSURCAA-LLVKDONJSA-N 2 0 236.359 2.539 10 0 BFAERP C[C@@H](c1cccs1)N(C)[C@@H]1CCCC[NH2+]C1 ZINC000054135281 176033529 /nfs/dbraw/zinc/03/35/29/176033529.db2.gz KQFCJXXZUUGLJQ-NWDGAFQWSA-N 2 0 238.400 2.883 10 0 BFAERP C[C@@H]1C([NH3+])[C@@H](C)[C@@H](C)[NH+](Cc2ccccc2)[C@@H]1C ZINC000068592761 176046974 /nfs/dbraw/zinc/04/69/74/176046974.db2.gz ZOZDGKPSUAGAMX-IGQOVBAYSA-N 2 0 246.398 2.879 10 0 BFAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000019407521 176073854 /nfs/dbraw/zinc/07/38/54/176073854.db2.gz QKPRJLBZCJJFRK-LLVKDONJSA-N 2 0 236.334 2.659 10 0 BFAERP C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052376064 176108791 /nfs/dbraw/zinc/10/87/91/176108791.db2.gz VGZJXFAFOOSIPO-CYBMUJFWSA-N 2 0 244.382 2.923 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C2CCCCCC2)C1 ZINC000049665850 176329370 /nfs/dbraw/zinc/32/93/70/176329370.db2.gz LTMCRXHWDGKLRQ-ZIAGYGMSSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCCCCC1 ZINC000049707701 176370471 /nfs/dbraw/zinc/37/04/71/176370471.db2.gz BAOHBKTZUAJWCP-OLZOCXBDSA-N 2 0 224.392 2.911 10 0 BFAERP C[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952268 177075518 /nfs/dbraw/zinc/07/55/18/177075518.db2.gz OQGVWOCSXHELJI-KBPBESRZSA-N 2 0 224.392 2.783 10 0 BFAERP C[C@H]1CCC[N@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000049819835 177095792 /nfs/dbraw/zinc/09/57/92/177095792.db2.gz HNZCFEWMMIOGTO-ZDUSSCGKSA-N 2 0 224.392 2.628 10 0 BFAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2C)C1 ZINC000050563614 177104440 /nfs/dbraw/zinc/10/44/40/177104440.db2.gz HSWOQZHUJHXFSF-GZBLMMOJSA-N 2 0 238.419 2.870 10 0 BFAERP C[C@H]1CCC[N@@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037911173 177108508 /nfs/dbraw/zinc/10/85/08/177108508.db2.gz XAOXFBNTEYRUFR-JSGCOSHPSA-N 2 0 218.344 2.561 10 0 BFAERP C[C@H]1CCCN1[C@@H](C[NH3+])c1ccccc1Cl ZINC000037910264 177112318 /nfs/dbraw/zinc/11/23/18/177112318.db2.gz XAZUGARYVYHCCZ-GWCFXTLKSA-N 2 0 238.762 2.824 10 0 BFAERP C[C@H]1[C@H]([NH2+]CCC[NH+]2CCCC2)CCC[C@@H]1C ZINC000049332361 177122908 /nfs/dbraw/zinc/12/29/08/177122908.db2.gz UYXJWOLVFHYYHK-RRFJBIMHSA-N 2 0 238.419 2.887 10 0 BFAERP C[C@H]1CC[NH+](C(C2CC2)C2CC2)CC[C@H](C)[NH2+]1 ZINC000049668078 177157905 /nfs/dbraw/zinc/15/79/05/177157905.db2.gz VRCDSKMPWBGALP-RYUDHWBXSA-N 2 0 236.403 2.637 10 0 BFAERP C[C@H]1CC[NH+](CCc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664772 177161081 /nfs/dbraw/zinc/16/10/81/177161081.db2.gz UQNDWBQOBDKTOU-GJZGRUSLSA-N 2 0 246.398 2.692 10 0 BFAERP C[C@@H](c1ccco1)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049666192 177170252 /nfs/dbraw/zinc/17/02/52/177170252.db2.gz QGDOXBIJBKOBKJ-AVGNSLFASA-N 2 0 236.359 2.803 10 0 BFAERP C[C@H]1C[N@@H+](C2CCCCCCC2)CC[C@@H]1[NH3+] ZINC000049707690 177242159 /nfs/dbraw/zinc/24/21/59/177242159.db2.gz MKRFQBCRVWGDGO-JSGCOSHPSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CC2CCCCC2)C1 ZINC000049666081 177285301 /nfs/dbraw/zinc/28/53/01/177285301.db2.gz NXKUPWCJDDORLF-OKILXGFUSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@@H]1CCCC[C@H]1[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665311 177285400 /nfs/dbraw/zinc/28/54/00/177285400.db2.gz PDMQRKNUFNVTAE-LXTVHRRPSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000120408397 177349720 /nfs/dbraw/zinc/34/97/20/177349720.db2.gz NFXFRXRNQRIEBD-WFASDCNBSA-N 2 0 236.403 2.782 10 0 BFAERP 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/nfs/dbraw/zinc/35/19/16/226351916.db2.gz YOUNPUBBXRHTLW-IPYPFGDCSA-N 2 0 232.371 2.786 10 0 BFAERP CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000570077141 323049451 /nfs/dbraw/zinc/04/94/51/323049451.db2.gz FBMXLLKMNWPSAA-CHWSQXEVSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000258964575 323146517 /nfs/dbraw/zinc/14/65/17/323146517.db2.gz YDCYQPIDEFOCRS-UHFFFAOYSA-N 2 0 244.741 2.696 10 0 BFAERP C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC000567639652 326236740 /nfs/dbraw/zinc/23/67/40/326236740.db2.gz GIMJQMBYOPRKKV-NEPJUHHUSA-N 2 0 238.419 2.646 10 0 BFAERP c1ccc2c(NC[C@@H]3CCCC[NH2+]3)cc[nH+]c2c1 ZINC000044493386 487820175 /nfs/dbraw/zinc/82/01/75/487820175.db2.gz AFCSQKCPFUZMPJ-LBPRGKRZSA-N 2 0 241.338 2.789 10 0 BFAERP CCCC[N@@H+]1CC[C@H]([NH2+]CC(C)C)C[C@H]1C ZINC000242463852 520595404 /nfs/dbraw/zinc/59/54/04/520595404.db2.gz DONJKILCTURYAC-KGLIPLIRSA-N 2 0 226.408 2.885 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757134925 582512999 /nfs/dbraw/zinc/51/29/99/582512999.db2.gz XKCXQDILYZKMNP-IHRRRGAJSA-N 2 0 224.392 2.782 10 0 BFAERP CC[NH+](CC)[C@@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000242750547 520846939 /nfs/dbraw/zinc/84/69/39/520846939.db2.gz ZSEDGOMMGFNNGK-ZIAGYGMSSA-N 2 0 226.408 2.695 10 0 BFAERP C[C@H]1CCC[N@H+](CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000020071921 524092443 /nfs/dbraw/zinc/09/24/43/524092443.db2.gz QLTHMEKETMHHRP-DZGCQCFKSA-N 2 0 232.371 2.808 10 0 BFAERP CC(C)C(C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400380953 527588481 /nfs/dbraw/zinc/58/84/81/527588481.db2.gz KHLMCZLNOFLWMS-OLZOCXBDSA-N 2 0 226.408 2.502 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400393012 527706417 /nfs/dbraw/zinc/70/64/17/527706417.db2.gz NTDHOAGFNRXFGE-MJBXVCDLSA-N 2 0 226.408 2.789 10 0 BFAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400320223 528652639 /nfs/dbraw/zinc/65/26/39/528652639.db2.gz AWCSXRWOPXPNHZ-KBXIAJHMSA-N 2 0 238.419 2.789 10 0 BFAERP CC(C)C[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226859245 535134423 /nfs/dbraw/zinc/13/44/23/535134423.db2.gz SHIIZRSXHKBODQ-LSDHHAIUSA-N 2 0 238.419 2.839 10 0 BFAERP CC(C)[C@@H](C)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757130902 582505311 /nfs/dbraw/zinc/50/53/11/582505311.db2.gz OLRCPBYNTHWDAS-HIFRSBDPSA-N 2 0 236.403 2.591 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757131000 582505498 /nfs/dbraw/zinc/50/54/98/582505498.db2.gz OXAPGDDMHKQIDJ-GXTWGEPZSA-N 2 0 224.392 2.782 10 0 BFAERP C[C@H](C1CCC1)[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757134982 582513859 /nfs/dbraw/zinc/51/38/59/582513859.db2.gz XOKBWTOXJLXZPB-NFAWXSAZSA-N 2 0 236.403 2.782 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135123 582514232 /nfs/dbraw/zinc/51/42/32/582514232.db2.gz ZGVKGVINJVNHKC-GXTWGEPZSA-N 2 0 224.392 2.639 10 0 BFAERP CC1(c2ccc([C@H]3[NH2+]CCC[C@H]3C[NH3+])cc2)CC1 ZINC000757217806 582561480 /nfs/dbraw/zinc/56/14/80/582561480.db2.gz SNPNOHNYQUHECQ-DZGCQCFKSA-N 2 0 244.382 2.738 10 0 BFAERP CC1(c2ccc([C@@H]3[NH2+]CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000757217807 582562004 /nfs/dbraw/zinc/56/20/04/582562004.db2.gz SNPNOHNYQUHECQ-HIFRSBDPSA-N 2 0 244.382 2.738 10 0 BFAERP CCC(CC)[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757135275 586426931 /nfs/dbraw/zinc/42/69/31/586426931.db2.gz ZGVKGVINJVNHKC-OCCSQVGLSA-N 2 0 224.392 2.639 10 0 BFAERP CC1(c2ccc([C@@H]3CC[C@H](CN)[NH2+]C3)cc2)CC1 ZINC000757206763 586437458 /nfs/dbraw/zinc/43/74/58/586437458.db2.gz AMZXPDIZXMPEAZ-UKRRQHHQSA-N 2 0 244.382 2.532 10 0 BFAERP CC1(c2ccc([C@@H]3CC[C@H](C[NH3+])C[NH2+]3)cc2)CC1 ZINC000757217685 586441733 /nfs/dbraw/zinc/44/17/33/586441733.db2.gz RYBQVXCYEXUUBU-DOMZBBRYSA-N 2 0 244.382 2.738 10 0 BFAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757219264 586442176 /nfs/dbraw/zinc/44/21/76/586442176.db2.gz WHJBCEFAIRGYGD-HCKVZZMMSA-N 2 0 243.354 2.556 10 0 BFAERP C[C@H]1C[NH2+]C[C@@H](c2ccc(C3CC3)c(C[NH3+])c2)C1 ZINC000757227053 586442701 /nfs/dbraw/zinc/44/27/01/586442701.db2.gz ASHGMUVAUOOZGN-ABAIWWIYSA-N 2 0 244.382 2.736 10 0 BFAERP [NH3+]Cc1cc([C@H]2CCCC[NH2+]2)ccc1C1CC1 ZINC000757232579 586443098 /nfs/dbraw/zinc/44/30/98/586443098.db2.gz IZENDBMWGKVHMF-OAHLLOKOSA-N 2 0 230.355 2.837 10 0 BFAERP CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250831039 635502093 /nfs/dbraw/zinc/50/20/93/635502093.db2.gz RDSPOQIQFFAZKA-RWMBFGLXSA-N 2 0 212.381 2.672 10 0 BFAERP CC[C@@H](C(C)C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753206 712497117 /nfs/dbraw/zinc/49/71/17/712497117.db2.gz IEVKOFRCLWBTOQ-LBPRGKRZSA-N 2 0 212.381 2.624 10 0 BFAERP CC[C@H](C(C)C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753205 712497212 /nfs/dbraw/zinc/49/72/12/712497212.db2.gz IEVKOFRCLWBTOQ-GFCCVEGCSA-N 2 0 212.381 2.624 10 0 BFAERP CCCC[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754040 712497611 /nfs/dbraw/zinc/49/76/11/712497611.db2.gz OUPQMHQIESUTEW-LBPRGKRZSA-N 2 0 212.381 2.768 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H](C)c2cccc(O)c2)CC1 ZINC000714758297 712497642 /nfs/dbraw/zinc/49/76/42/712497642.db2.gz MMLUOBSFJVMNRJ-GFCCVEGCSA-N 2 0 248.370 2.657 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H](C)CC2CCC2)CC1 ZINC000714753649 712497695 /nfs/dbraw/zinc/49/76/95/712497695.db2.gz MKBRYMDXARXQIU-GFCCVEGCSA-N 2 0 224.392 2.768 10 0 BFAERP CC[C@H]1CCC[C@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753666 712497970 /nfs/dbraw/zinc/49/79/70/712497970.db2.gz MYIOMZBFJGBKPS-QWHCGFSZSA-N 2 0 224.392 2.768 10 0 BFAERP CC[C@H]1CCC[C@@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753667 712498000 /nfs/dbraw/zinc/49/80/00/712498000.db2.gz MYIOMZBFJGBKPS-STQMWFEESA-N 2 0 224.392 2.768 10 0 BFAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000715492584 712523292 /nfs/dbraw/zinc/52/32/92/712523292.db2.gz VPPGVEKUIMMIPA-HZPDHXFCSA-N 2 0 246.398 2.692 10 0 BFAERP CCC(CC)(C[NH3+])C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000051206823 168323113 /nfs/dbraw/zinc/32/31/13/168323113.db2.gz FAWIMNZRSQJWES-STQMWFEESA-N 2 0 226.408 2.729 10 0 BFAERP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1F ZINC000050559341 178008801 /nfs/dbraw/zinc/00/88/01/178008801.db2.gz DGBVYAUAWDKCCR-AGUYFDCRSA-N 2 0 248.345 2.588 10 0 BFAERP Cc1cc(N[C@H]2CC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000042548122 178191137 /nfs/dbraw/zinc/19/11/37/178191137.db2.gz PBUMQGRHOVSPRY-LBPRGKRZSA-N 2 0 241.338 2.659 10 0 BFAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400423007 529651304 /nfs/dbraw/zinc/65/13/04/529651304.db2.gz XRBJMJHXBIMSRY-CFVMTHIKSA-N 2 0 232.371 2.725 10 0 BFAERP CCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000584047299 343306473 /nfs/dbraw/zinc/30/64/73/343306473.db2.gz GZVZSTUFPSXRHY-ZIAGYGMSSA-N 2 0 238.419 2.935 10 0 BFAERP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400726856 529722133 /nfs/dbraw/zinc/72/21/33/529722133.db2.gz PPHOIMLLAUIIRC-ZENOOKHLSA-N 2 0 246.398 2.898 10 0 BFAERP CCCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000084424681 344429184 /nfs/dbraw/zinc/42/91/84/344429184.db2.gz LTBPIYSGGNJNPE-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP CCCC[C@H](CC)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000390098462 259380363 /nfs/dbraw/zinc/38/03/63/259380363.db2.gz NWONOJOARKTSJE-HZSPNIEDSA-N 2 0 226.408 2.872 10 0 BFAERP CCC(C)(C)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635023740 345224799 /nfs/dbraw/zinc/22/47/99/345224799.db2.gz SAQUAYRJAXNXKV-LBPRGKRZSA-N 2 0 212.381 2.544 10 0 BFAERP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000381378454 345750115 /nfs/dbraw/zinc/75/01/15/345750115.db2.gz KMDZLGGDXYVZCX-CHWSQXEVSA-N 2 0 226.408 2.743 10 0 BFAERP [NH3+]Cc1cc(Cl)cc(C[NH+]2CCCCC2)c1 ZINC000669379517 537978833 /nfs/dbraw/zinc/97/88/33/537978833.db2.gz FGFBNMQWZQDTFF-UHFFFAOYSA-N 2 0 238.762 2.785 10 0 BFAERP Cc1cccc2c(N(C)CC[NH+](C)C)cc[nH+]c12 ZINC000301642585 179210314 /nfs/dbraw/zinc/21/03/14/179210314.db2.gz BSWMVTZUSMGSHY-UHFFFAOYSA-N 2 0 243.354 2.541 10 0 BFAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049666745 179273315 /nfs/dbraw/zinc/27/33/15/179273315.db2.gz SEQYFZJMHWAFCQ-AWEZNQCLSA-N 2 0 232.371 2.569 10 0 BFAERP CC(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000310120750 187392216 /nfs/dbraw/zinc/39/22/16/187392216.db2.gz UPVBNJGGBOTDRE-GFCCVEGCSA-N 2 0 232.371 2.814 10 0 BFAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250212197 349167674 /nfs/dbraw/zinc/16/76/74/349167674.db2.gz VMWSQEZYGAZBKQ-ZIAGYGMSSA-N 2 0 232.371 2.679 10 0 BFAERP C[N@H+](Cc1ccsc1C[NH3+])Cc1ccccc1 ZINC000306681520 350837967 /nfs/dbraw/zinc/83/79/67/350837967.db2.gz OEFVLCIJGVXKCY-UHFFFAOYSA-N 2 0 246.379 2.839 10 0 BFAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)C ZINC000248107734 350855020 /nfs/dbraw/zinc/85/50/20/350855020.db2.gz JCSYAXRFKNHZDK-FOLVSLTJSA-N 2 0 246.398 2.705 10 0 BFAERP CC[NH2+]C[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725268827 538101540 /nfs/dbraw/zinc/10/15/40/538101540.db2.gz CEKQCVSMHRHKJP-CYBMUJFWSA-N 2 0 242.366 2.567 10 0 BFAERP CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)C(C)(C)C ZINC000336740721 352371993 /nfs/dbraw/zinc/37/19/93/352371993.db2.gz QJAFOOBXCWMYGD-CHWSQXEVSA-N 2 0 226.408 2.885 10 0 BFAERP CC(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000310120753 188082146 /nfs/dbraw/zinc/08/21/46/188082146.db2.gz UPVBNJGGBOTDRE-LBPRGKRZSA-N 2 0 232.371 2.814 10 0 BFAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000036128688 188112773 /nfs/dbraw/zinc/11/27/73/188112773.db2.gz QJUWYQWVVMNREV-HUUCEWRRSA-N 2 0 232.371 2.951 10 0 BFAERP C1C2CC3CC1CC([NH+]1CCC[NH2+]CCC1)(C2)C3 ZINC000049663085 188125669 /nfs/dbraw/zinc/12/56/69/188125669.db2.gz QNSHYAPIROBRBV-UHFFFAOYSA-N 2 0 248.414 2.641 10 0 BFAERP C[NH2+]Cc1ccccc1C[N@H+](C)CCC(C)C ZINC000052545960 188126498 /nfs/dbraw/zinc/12/64/98/188126498.db2.gz DAPANZNHCVAKCF-UHFFFAOYSA-N 2 0 234.387 2.884 10 0 BFAERP CCN1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000040502039 358493164 /nfs/dbraw/zinc/49/31/64/358493164.db2.gz ZSZZYZHPEQTMRU-HNNXBMFYSA-N 2 0 232.371 2.569 10 0 BFAERP CC1(C)CC[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000257767774 538755024 /nfs/dbraw/zinc/75/50/24/538755024.db2.gz FXSABHAGXXKWPC-STQMWFEESA-N 2 0 224.392 2.626 10 0 BFAERP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583078288 357473812 /nfs/dbraw/zinc/47/38/12/357473812.db2.gz KGAMYDHMBPKMIY-TUVASFSCSA-N 2 0 238.419 2.933 10 0 BFAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000217911665 134251042 /nfs/dbraw/zinc/25/10/42/134251042.db2.gz LBGKYFPAQSMDNP-MCIONIFRSA-N 2 0 224.392 2.639 10 0 BFAERP CC[C@@H]1CC[C@@H](CC[NH+]2CCCCC2)[NH2+]C1 ZINC000584651782 358306921 /nfs/dbraw/zinc/30/69/21/358306921.db2.gz HKFNEEYBHYYRTG-KGLIPLIRSA-N 2 0 224.392 2.641 10 0 BFAERP CC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000306603863 360532472 /nfs/dbraw/zinc/53/24/72/360532472.db2.gz XXDDAPSXPJJOQQ-WFASDCNBSA-N 2 0 245.370 2.626 10 0 BFAERP C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000629555335 361446242 /nfs/dbraw/zinc/44/62/42/361446242.db2.gz UZHWAXDTTAWGCE-IHRRRGAJSA-N 2 0 236.403 2.544 10 0 BFAERP [NH3+]CC1(N2CCc3ccccc3C2)CCCCC1 ZINC000019473736 181360695 /nfs/dbraw/zinc/36/06/95/181360695.db2.gz SGTGEEXRPRWRMP-UHFFFAOYSA-N 2 0 244.382 2.706 10 0 BFAERP C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000573711431 364898938 /nfs/dbraw/zinc/89/89/38/364898938.db2.gz SKSXINQMEGSOKH-IHRRRGAJSA-N 2 0 238.419 2.790 10 0 BFAERP [NH3+]CCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000037715004 181377829 /nfs/dbraw/zinc/37/78/29/181377829.db2.gz SYZCBDICRSSUJG-OAHLLOKOSA-N 2 0 244.338 2.698 10 0 BFAERP [NH3+]CCCN(c1cc[nH+]cc1)C1CCCCC1 ZINC000036731765 181380284 /nfs/dbraw/zinc/38/02/84/181380284.db2.gz QVVIJVHOKZGRAR-UHFFFAOYSA-N 2 0 233.359 2.570 10 0 BFAERP [NH3+]CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030853 181384068 /nfs/dbraw/zinc/38/40/68/181384068.db2.gz KZKGHGFFHBFKLV-UHFFFAOYSA-N 2 0 246.379 2.854 10 0 BFAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000104319677 181385760 /nfs/dbraw/zinc/38/57/60/181385760.db2.gz GBSYQIHDGFHEPL-CQSZACIVSA-N 2 0 236.334 2.529 10 0 BFAERP CCc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581536063 367554090 /nfs/dbraw/zinc/55/40/90/367554090.db2.gz GAOTYIYSNAKBQN-HIFRSBDPSA-N 2 0 246.398 2.727 10 0 BFAERP CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581536062 367554306 /nfs/dbraw/zinc/55/43/06/367554306.db2.gz GAOTYIYSNAKBQN-DZGCQCFKSA-N 2 0 246.398 2.727 10 0 BFAERP [NH3+]C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625253 368374451 /nfs/dbraw/zinc/37/44/51/368374451.db2.gz AFHIMDPHXZNRAO-HZPDHXFCSA-N 2 0 244.382 2.638 10 0 BFAERP Cc1scc(C[NH2+][C@H]2CCC[NH2+]CC2)c1C ZINC000399817124 368603985 /nfs/dbraw/zinc/60/39/85/368603985.db2.gz RDMJCLRWRCMURN-ZDUSSCGKSA-N 2 0 238.400 2.597 10 0 BFAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000567645924 326237809 /nfs/dbraw/zinc/23/78/09/326237809.db2.gz JCVLDVWWLHWNNY-OLZOCXBDSA-N 2 0 226.408 2.790 10 0 BFAERP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000631836981 372625094 /nfs/dbraw/zinc/62/50/94/372625094.db2.gz KXFDQYXSAQEBNU-WBMJQRKESA-N 2 0 244.382 2.591 10 0 BFAERP CC[NH2+]CC[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000052346067 170117268 /nfs/dbraw/zinc/11/72/68/170117268.db2.gz BQCJTCFWWZKYKW-AWEZNQCLSA-N 2 0 234.387 2.815 10 0 BFAERP CCC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052444539 169080603 /nfs/dbraw/zinc/08/06/03/169080603.db2.gz LCLYSCYPPDMCLR-UHFFFAOYSA-N 2 0 238.375 2.867 10 0 BFAERP CCC[N@H+](CC)[C@@H](CN)c1ccc(CC)cc1 ZINC000037094657 169131645 /nfs/dbraw/zinc/13/16/45/169131645.db2.gz MGPZXBQJCSPYJF-HNNXBMFYSA-N 2 0 234.387 2.981 10 0 BFAERP CCC[N@@H+](Cc1ccccc1C[NH3+])CC1CC1 ZINC000021953060 169177626 /nfs/dbraw/zinc/17/76/26/169177626.db2.gz QEBRXPVAGHKCHF-UHFFFAOYSA-N 2 0 232.371 2.767 10 0 BFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC000037222298 169191614 /nfs/dbraw/zinc/19/16/14/169191614.db2.gz CJDDXFZDRZFRDE-CYBMUJFWSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073654102 169207540 /nfs/dbraw/zinc/20/75/40/169207540.db2.gz OIENUARUPLILPL-GDBMZVCRSA-N 2 0 246.398 2.897 10 0 BFAERP CCC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073654024 169207668 /nfs/dbraw/zinc/20/76/68/169207668.db2.gz XOMLVCHCRRGORR-ZIAGYGMSSA-N 2 0 224.392 2.593 10 0 BFAERP CCC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000053012505 169262623 /nfs/dbraw/zinc/26/26/23/169262623.db2.gz XZKHUBRRZKDNTC-INIZCTEOSA-N 2 0 246.398 2.551 10 0 BFAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000061484482 169281723 /nfs/dbraw/zinc/28/17/23/169281723.db2.gz PXKCOKFCROHHQQ-HUUCEWRRSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCC[C@H](C)C1 ZINC000053861887 169282478 /nfs/dbraw/zinc/28/24/78/169282478.db2.gz LFDWXHQLXWXSSP-SOUVJXGZSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[C@@H](C)[N@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000036790014 169365083 /nfs/dbraw/zinc/36/50/83/169365083.db2.gz BLLPOLNUOBADSN-LLVKDONJSA-N 2 0 238.350 2.905 10 0 BFAERP CCC[C@@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038018907 169358716 /nfs/dbraw/zinc/35/87/16/169358716.db2.gz CARBOOORNNYNDD-FFHGMXDLSA-N 2 0 238.419 2.885 10 0 BFAERP CCC[C@@H]([NH3+])CN1CCc2sccc2[C@@H]1C ZINC000042781836 169392622 /nfs/dbraw/zinc/39/26/22/169392622.db2.gz CRZGSZHXXHLIBQ-WDEREUQCSA-N 2 0 238.400 2.795 10 0 BFAERP CCC[C@H](C)C[NH+]1CCC(C[NH2+]C2CC2)CC1 ZINC000053660341 169480241 /nfs/dbraw/zinc/48/02/41/169480241.db2.gz QKOIBHYTCCNPSQ-ZDUSSCGKSA-N 2 0 238.419 2.887 10 0 BFAERP CCC[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336740323 169526694 /nfs/dbraw/zinc/52/66/94/169526694.db2.gz QBERIZVUOLNTPG-KBPBESRZSA-N 2 0 226.408 2.887 10 0 BFAERP CCC[C@H](C)C[C@@H](C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000068591085 384002204 /nfs/dbraw/zinc/00/22/04/384002204.db2.gz PLFOILFTHVSCAK-AVGNSLFASA-N 2 0 212.381 2.530 10 0 BFAERP C[C@@H]1C[C@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592865 384002405 /nfs/dbraw/zinc/00/24/05/384002405.db2.gz UKWBVZXKIFQVBE-CXTNEJHOSA-N 2 0 232.371 2.633 10 0 BFAERP C[C@@H]1[C@@H](C)[C@H]([NH3+])[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593256 384002553 /nfs/dbraw/zinc/00/25/53/384002553.db2.gz XHQDHKBQLIGGBO-FAHYXWLWSA-N 2 0 246.398 2.879 10 0 BFAERP C[C@@H]1[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000068593258 384002780 /nfs/dbraw/zinc/00/27/80/384002780.db2.gz XHQDHKBQLIGGBO-ADVQIIOHSA-N 2 0 246.398 2.879 10 0 BFAERP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361183 384205496 /nfs/dbraw/zinc/20/54/96/384205496.db2.gz NRANVGGGAFHGAX-MCIONIFRSA-N 2 0 232.371 2.644 10 0 BFAERP [NH3+]C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000095077544 384353292 /nfs/dbraw/zinc/35/32/92/384353292.db2.gz HCOHDXPCJRZNOY-JKSUJKDBSA-N 2 0 244.382 2.638 10 0 BFAERP CC(C)c1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000258940206 384950602 /nfs/dbraw/zinc/95/06/02/384950602.db2.gz QHIQPVNWODFTFO-CQSZACIVSA-N 2 0 232.371 2.509 10 0 BFAERP CC(C)c1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1 ZINC000258829021 384939685 /nfs/dbraw/zinc/93/96/85/384939685.db2.gz UZMDOAUCFUPFNY-GFCCVEGCSA-N 2 0 220.360 2.637 10 0 BFAERP CCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336740324 385810058 /nfs/dbraw/zinc/81/00/58/385810058.db2.gz QBERIZVUOLNTPG-KGLIPLIRSA-N 2 0 226.408 2.887 10 0 BFAERP Cc1[nH+]ccc(NC[C@@H]2CCCC[NH2+]2)c1Cl ZINC000309343207 386005083 /nfs/dbraw/zinc/00/50/83/386005083.db2.gz LCULUXFAJUIHFN-JTQLQIEISA-N 2 0 239.750 2.597 10 0 BFAERP c1ccc([C@H]2CCCCN2[C@@H]2CC[NH2+]C2)cc1 ZINC000575332131 386682695 /nfs/dbraw/zinc/68/26/95/386682695.db2.gz QQVJBDKBHYPDFV-HUUCEWRRSA-N 2 0 230.355 2.576 10 0 BFAERP C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1F ZINC000396578383 386782485 /nfs/dbraw/zinc/78/24/85/386782485.db2.gz ODYAKHZCVMQQQK-MJVIPROJSA-N 2 0 236.334 2.617 10 0 BFAERP CC(C)(C)C1CC([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000335003692 387097604 /nfs/dbraw/zinc/09/76/04/387097604.db2.gz CYBZMDNLKMEADE-CPCZMJQVSA-N 2 0 224.392 2.543 10 0 BFAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000575438483 387128865 /nfs/dbraw/zinc/12/88/65/387128865.db2.gz JNWHEJRNWVNHEO-SECBINFHSA-N 2 0 248.704 2.747 10 0 BFAERP Cc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572464085 387514243 /nfs/dbraw/zinc/51/42/43/387514243.db2.gz FVRLWDMVPAODMA-GDBMZVCRSA-N 2 0 246.398 2.515 10 0 BFAERP Cc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572464086 387515271 /nfs/dbraw/zinc/51/52/71/387515271.db2.gz FVRLWDMVPAODMA-GOEBONIOSA-N 2 0 246.398 2.515 10 0 BFAERP CCC[C@@H]1CCC[C@@H]1[NH2+]CCN(CC)CC ZINC000393784255 387875334 /nfs/dbraw/zinc/87/53/34/387875334.db2.gz SGJSQAGFUQWXOM-KGLIPLIRSA-N 2 0 226.408 2.887 10 0 BFAERP CCC[C@@H]1CCC[C@H]1[NH2+]CCN(CC)CC ZINC000393784257 387875398 /nfs/dbraw/zinc/87/53/98/387875398.db2.gz SGJSQAGFUQWXOM-ZIAGYGMSSA-N 2 0 226.408 2.887 10 0 BFAERP C[C@H]([NH2+]CC(C)(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400517259 387992593 /nfs/dbraw/zinc/99/25/93/387992593.db2.gz GLZSQALILQXJRR-KBPBESRZSA-N 2 0 246.398 2.552 10 0 BFAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400528034 388003112 /nfs/dbraw/zinc/00/31/12/388003112.db2.gz QRQZIPDCGXIRLE-RQJABVFESA-N 2 0 224.392 2.543 10 0 BFAERP C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000310947184 388490763 /nfs/dbraw/zinc/49/07/63/388490763.db2.gz XYLVGIVJXJOONV-UHOFOFEASA-N 2 0 244.382 2.591 10 0 BFAERP Cc1ccc(Cl)c([C@@H]([NH3+])CCCC[NH3+])c1F ZINC000575438907 388625066 /nfs/dbraw/zinc/62/50/66/388625066.db2.gz OSVVMRLYRIJOOZ-JTQLQIEISA-N 2 0 244.741 2.916 10 0 BFAERP C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400489566 533402872 /nfs/dbraw/zinc/40/28/72/533402872.db2.gz YSQIBEOGBOPPHC-KBUPBQIOSA-N 2 0 238.419 2.790 10 0 BFAERP C[C@@H]([NH2+][C@@H](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400477650 533495932 /nfs/dbraw/zinc/49/59/32/533495932.db2.gz DSSRGWCCQFVCQS-OUCADQQQSA-N 2 0 224.392 2.543 10 0 BFAERP CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251439865 135069698 /nfs/dbraw/zinc/06/96/98/135069698.db2.gz VDGSGEPMAXDCKA-MELADBBJSA-N 2 0 226.408 2.918 10 0 BFAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693660 135074984 /nfs/dbraw/zinc/07/49/84/135074984.db2.gz HIGOYBITTZSPDV-APIJFGDWSA-N 2 0 238.419 2.872 10 0 BFAERP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258919317 135135165 /nfs/dbraw/zinc/13/51/65/135135165.db2.gz WLBXKQJPWUMABT-AWEZNQCLSA-N 2 0 232.371 2.554 10 0 BFAERP CC1(C)CC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000261558054 135198480 /nfs/dbraw/zinc/19/84/80/135198480.db2.gz SESCNTBFDDUBMD-CQSZACIVSA-N 2 0 230.355 2.568 10 0 BFAERP C[C@H](CC[NH+](C)C)[NH2+]CC1CCC(C)CC1 ZINC000084339382 135210622 /nfs/dbraw/zinc/21/06/22/135210622.db2.gz RRVHXTXKIJVQQJ-ROKHWSDSSA-N 2 0 226.408 2.743 10 0 BFAERP CC1(C)C[N@H+](CCC2CCCC2)CC[C@@H]1[NH3+] ZINC000261583822 135225339 /nfs/dbraw/zinc/22/53/39/135225339.db2.gz PGLFEYXOJUKWLY-ZDUSSCGKSA-N 2 0 224.392 2.626 10 0 BFAERP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261590068 135230780 /nfs/dbraw/zinc/23/07/80/135230780.db2.gz WSFVWVBPUDRQMZ-OAHLLOKOSA-N 2 0 246.398 2.863 10 0 BFAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000080480401 135375474 /nfs/dbraw/zinc/37/54/74/135375474.db2.gz GCXUWECXSVUOCB-HZSPNIEDSA-N 2 0 236.403 2.639 10 0 BFAERP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084218038 135468365 /nfs/dbraw/zinc/46/83/65/135468365.db2.gz WDPMWJIGVIMLKT-XQQFMLRXSA-N 2 0 212.381 2.528 10 0 BFAERP CC[NH+](CC)CCCN1Cc2ccccc2C1=[NH2+] ZINC000020078858 169772651 /nfs/dbraw/zinc/77/26/51/169772651.db2.gz VTHLGCHKMAMPPN-UHFFFAOYSA-N 2 0 245.370 2.559 10 0 BFAERP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000053650130 167006900 /nfs/dbraw/zinc/00/69/00/167006900.db2.gz ISYKVQFHEDNAKL-HNNXBMFYSA-N 2 0 238.419 2.887 10 0 BFAERP CC(C)[NH2+]CCCC[NH+]1Cc2ccccc2C1 ZINC000050912667 167101999 /nfs/dbraw/zinc/10/19/99/167101999.db2.gz VQMVPZWCRNTWGY-UHFFFAOYSA-N 2 0 232.371 2.780 10 0 BFAERP CC(C)[NH2+]CCCC[N@@H+]1CCc2ccccc2C1 ZINC000037634909 167103032 /nfs/dbraw/zinc/10/30/32/167103032.db2.gz JNOPUPKUPPDJQY-UHFFFAOYSA-N 2 0 246.398 2.823 10 0 BFAERP CC(C)[NH2+]CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095088476 167109032 /nfs/dbraw/zinc/10/90/32/167109032.db2.gz SLGMAWQXTSQGFO-INIZCTEOSA-N 2 0 246.398 2.897 10 0 BFAERP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000053649052 167112627 /nfs/dbraw/zinc/11/26/27/167112627.db2.gz ZSXDFRBXMOTWMS-AWEZNQCLSA-N 2 0 224.392 2.639 10 0 BFAERP CC1(C[N@H+](Cc2ccco2)C2CC2)CC[NH2+]CC1 ZINC000062841874 168023352 /nfs/dbraw/zinc/02/33/52/168023352.db2.gz XSDHKKXBIFVHPY-UHFFFAOYSA-N 2 0 248.370 2.634 10 0 BFAERP CC1([NH2+]CC2CCC([NH3+])CC2)CCCCC1 ZINC000045047286 168063025 /nfs/dbraw/zinc/06/30/25/168063025.db2.gz LBEBXDLWGCKFFP-UHFFFAOYSA-N 2 0 224.392 2.816 10 0 BFAERP CC1([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000070503348 168063333 /nfs/dbraw/zinc/06/33/33/168063333.db2.gz QTSBCTOUBCXFIA-CHWSQXEVSA-N 2 0 224.392 2.816 10 0 BFAERP CC1CCC(C[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000063144913 168156481 /nfs/dbraw/zinc/15/64/81/168156481.db2.gz TZRXHIOEIDBYSZ-RUXDESIVSA-N 2 0 236.403 2.639 10 0 BFAERP CC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000052547151 170116319 /nfs/dbraw/zinc/11/63/19/170116319.db2.gz SNZKRLLHRZXQJO-CQSZACIVSA-N 2 0 234.387 2.815 10 0 BFAERP CC[NH2+]C[C@@H](C)C[NH+]1CCC(C)(CC)CC1 ZINC000062958282 170118773 /nfs/dbraw/zinc/11/87/73/170118773.db2.gz RCNXKTUSIRMCRT-CYBMUJFWSA-N 2 0 226.408 2.744 10 0 BFAERP CC[NH2+]C[C@@](C)(C[N@H+](C)CC)c1ccccc1 ZINC000051214984 170120735 /nfs/dbraw/zinc/12/07/35/170120735.db2.gz YALSTTLNDSPFOF-HNNXBMFYSA-N 2 0 234.387 2.506 10 0 BFAERP CC[NH2+]C[C@H](C)C[NH+]1CCC(C)(CC)CC1 ZINC000062958281 170121673 /nfs/dbraw/zinc/12/16/73/170121673.db2.gz RCNXKTUSIRMCRT-ZDUSSCGKSA-N 2 0 226.408 2.744 10 0 BFAERP CC[NH2+]C[C@H](C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546574 170122091 /nfs/dbraw/zinc/12/20/91/170122091.db2.gz QPGLKKAKBPTSPH-MELADBBJSA-N 2 0 226.408 2.743 10 0 BFAERP CC[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000045206509 170128346 /nfs/dbraw/zinc/12/83/46/170128346.db2.gz SVAKGYLXFVVIKS-UHFFFAOYSA-N 2 0 220.360 2.638 10 0 BFAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@@H]1C ZINC000052378642 170129490 /nfs/dbraw/zinc/12/94/90/170129490.db2.gz CPXVXQWBVJZITC-LBPRGKRZSA-N 2 0 236.359 2.764 10 0 BFAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053861960 170150172 /nfs/dbraw/zinc/15/01/72/170150172.db2.gz FGPLVNFIIRPPHQ-ZIAGYGMSSA-N 2 0 224.392 2.641 10 0 BFAERP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860431 170150494 /nfs/dbraw/zinc/15/04/94/170150494.db2.gz XUIBGGRSSRYAHN-LXTVHRRPSA-N 2 0 238.419 2.743 10 0 BFAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860436 170151753 /nfs/dbraw/zinc/15/17/53/170151753.db2.gz XUIBGGRSSRYAHN-LJISPDSOSA-N 2 0 238.419 2.743 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710714 170166507 /nfs/dbraw/zinc/16/65/07/170166507.db2.gz OWIUPWHXSBUNDQ-ZFWWWQNUSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCC[C@@H](CC)C1 ZINC000053867455 170167148 /nfs/dbraw/zinc/16/71/48/170167148.db2.gz ZSFVWDNLXXHLQY-ILXRZTDVSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000061822431 170167229 /nfs/dbraw/zinc/16/72/29/170167229.db2.gz ORVNDACZASEICM-KGLIPLIRSA-N 2 0 238.419 2.887 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000049708937 170167561 /nfs/dbraw/zinc/16/75/61/170167561.db2.gz DHYAABRHHPHLLF-ZBFHGGJFSA-N 2 0 246.398 2.692 10 0 BFAERP CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2C)[C@H](C)C1 ZINC000049712990 170168026 /nfs/dbraw/zinc/16/80/26/170168026.db2.gz JXPROWQHAZTSRY-ZBFHGGJFSA-N 2 0 246.398 2.957 10 0 BFAERP CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1C[NH+](C)C ZINC000053864625 170168838 /nfs/dbraw/zinc/16/88/38/170168838.db2.gz PSYZYOURVHJHFB-MCIONIFRSA-N 2 0 240.435 2.989 10 0 BFAERP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C(C)C ZINC000037197160 170890493 /nfs/dbraw/zinc/89/04/93/170890493.db2.gz SMGRAAFPUWOTRQ-GFCCVEGCSA-N 2 0 214.397 2.598 10 0 BFAERP CC[C@@H]1CC[N@H+](Cc2ccccc2C)CCC[NH2+]1 ZINC000049666740 171011890 /nfs/dbraw/zinc/01/18/90/171011890.db2.gz INCBBVAVJAJVNJ-MRXNPFEDSA-N 2 0 246.398 2.959 10 0 BFAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)[C@@H](C)C2CC2)C1 ZINC000036783143 171056508 /nfs/dbraw/zinc/05/65/08/171056508.db2.gz KHBZVZKWYHIEMK-CTHBEMJXSA-N 2 0 238.419 2.870 10 0 BFAERP CC[C@@](C)(C[NH2+]CC(C)C)C[N@H+](C)CC1CC1 ZINC000051249795 171166988 /nfs/dbraw/zinc/16/69/88/171166988.db2.gz XCWGIXVHZUHXHG-HNNXBMFYSA-N 2 0 240.435 2.990 10 0 BFAERP CC[C@H](C)[N@H+](CC)Cc1cccc(C(N)=[NH2+])c1 ZINC000037113322 171312159 /nfs/dbraw/zinc/31/21/59/171312159.db2.gz ZPJMEYSMAHLXJA-NSHDSACASA-N 2 0 233.359 2.591 10 0 BFAERP CC[C@H](C)[N@@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062622416 171317748 /nfs/dbraw/zinc/31/77/48/171317748.db2.gz CNFCQLXZRGMSPO-GOEBONIOSA-N 2 0 246.398 2.692 10 0 BFAERP CC[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC000062943794 171340602 /nfs/dbraw/zinc/34/06/02/171340602.db2.gz JFXGVTFDMBDZPV-AWEZNQCLSA-N 2 0 246.398 2.696 10 0 BFAERP CC[C@H](C)[C@@H](N)C[N@H+](C)C1CCCCC1 ZINC000020073167 171372088 /nfs/dbraw/zinc/37/20/88/171372088.db2.gz WYFUEGCZJSUZPN-AAEUAGOBSA-N 2 0 212.381 2.624 10 0 BFAERP C[C@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C[C@@H](C)C1 ZINC000665239701 412178529 /nfs/dbraw/zinc/17/85/29/412178529.db2.gz XSGGDZGFSXEQNY-YJNKXOJESA-N 2 0 238.419 2.790 10 0 BFAERP C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000665239069 412179850 /nfs/dbraw/zinc/17/98/50/412179850.db2.gz LJSVCHWUSJEDQF-QKGCVVFFSA-N 2 0 238.419 2.646 10 0 BFAERP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000665244663 412188871 /nfs/dbraw/zinc/18/88/71/412188871.db2.gz SRFZSUQNIZCXPW-QPUFIGCCSA-N 2 0 244.382 2.574 10 0 BFAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCC[NH2+]C1 ZINC000665267217 412210253 /nfs/dbraw/zinc/21/02/53/412210253.db2.gz RTVMFIOEDLKLOZ-OCCSQVGLSA-N 2 0 224.392 2.544 10 0 BFAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCc1ccccc1 ZINC000049633303 173007591 /nfs/dbraw/zinc/00/75/91/173007591.db2.gz FWJZNYXNHXMROY-INIZCTEOSA-N 2 0 246.398 2.693 10 0 BFAERP C[N@@H+]1CCC[C@H](C[NH2+]C2(C)CCCCC2)C1 ZINC000054243778 173041161 /nfs/dbraw/zinc/04/11/61/173041161.db2.gz YKZDVWRLNPDACD-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCCC1)C2 ZINC000020523966 173206372 /nfs/dbraw/zinc/20/63/72/173206372.db2.gz DXURFELXFPALOB-GOOCMWNKSA-N 2 0 236.403 2.924 10 0 BFAERP C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000051252326 173335734 /nfs/dbraw/zinc/33/57/34/173335734.db2.gz UTNYYDWOFDCUHR-AWEZNQCLSA-N 2 0 238.419 2.887 10 0 BFAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205707 173338057 /nfs/dbraw/zinc/33/80/57/173338057.db2.gz FYYXVEBYUNMCQD-CYBMUJFWSA-N 2 0 224.392 2.641 10 0 BFAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000052381613 173390858 /nfs/dbraw/zinc/39/08/58/173390858.db2.gz YLNYDFAMLGUUNJ-CYBMUJFWSA-N 2 0 232.371 2.638 10 0 BFAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000052571831 173391538 /nfs/dbraw/zinc/39/15/38/173391538.db2.gz OQNUOCZCKZEQKV-LBPRGKRZSA-N 2 0 238.375 2.865 10 0 BFAERP C[NH2+]Cc1oc2ccccc2c1C[N@H+](C)C1CC1 ZINC000052445309 173399982 /nfs/dbraw/zinc/39/99/82/173399982.db2.gz FCNYSRSTAARLCK-UHFFFAOYSA-N 2 0 244.338 2.746 10 0 BFAERP COc1ccc([C@@H](CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000019674059 175178372 /nfs/dbraw/zinc/17/83/72/175178372.db2.gz YBMAQACRKHPGBU-OAHLLOKOSA-N 2 0 248.370 2.571 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096985062 176328666 /nfs/dbraw/zinc/32/86/66/176328666.db2.gz XZJQKOZNXFMHON-GDBMZVCRSA-N 2 0 244.382 2.508 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CC2CCCCC2)C1 ZINC000049666084 176329257 /nfs/dbraw/zinc/32/92/57/176329257.db2.gz NXKUPWCJDDORLF-ZIAGYGMSSA-N 2 0 238.419 2.744 10 0 BFAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000104217891 176329361 /nfs/dbraw/zinc/32/93/61/176329361.db2.gz LZEWGADTNOYLOD-CHWSQXEVSA-N 2 0 238.419 2.600 10 0 BFAERP C[C@H]1CCCC[N@@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037115949 177076727 /nfs/dbraw/zinc/07/67/27/177076727.db2.gz UKXKRYBHWCXACG-ZFWWWQNUSA-N 2 0 232.371 2.951 10 0 BFAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000022167439 177116846 /nfs/dbraw/zinc/11/68/46/177116846.db2.gz RORFIAJGFPKTPA-BETUJISGSA-N 2 0 232.371 2.908 10 0 BFAERP C[C@H]1CCC[C@@H]([N@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000049665916 177121250 /nfs/dbraw/zinc/12/12/50/177121250.db2.gz UTFXWHRQBYJXGN-BYNSBNAKSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000051732461 177164116 /nfs/dbraw/zinc/16/41/16/177164116.db2.gz QFRSTFQNKUHOPP-NWDGAFQWSA-N 2 0 245.370 2.591 10 0 BFAERP C[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000052484695 177164783 /nfs/dbraw/zinc/16/47/83/177164783.db2.gz PSLXHXQYFZAGTL-ZDUSSCGKSA-N 2 0 244.382 2.780 10 0 BFAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC1CCCCC1 ZINC000042427273 177189729 /nfs/dbraw/zinc/18/97/29/177189729.db2.gz VGYIESKFFVSTQD-JSGCOSHPSA-N 2 0 224.392 2.626 10 0 BFAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049664309 177282049 /nfs/dbraw/zinc/28/20/49/177282049.db2.gz QSVDULFTXYBAIP-KBPBESRZSA-N 2 0 232.371 2.679 10 0 BFAERP C[C@@H]1[C@@H](C)C[C@@H]([NH3+])[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592878 177326880 /nfs/dbraw/zinc/32/68/80/177326880.db2.gz UKWBVZXKIFQVBE-SFDCQRBFSA-N 2 0 232.371 2.633 10 0 BFAERP C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053860476 177358298 /nfs/dbraw/zinc/35/82/98/177358298.db2.gz LOSRMQWHKDCOES-AJNGGQMLSA-N 2 0 238.419 2.872 10 0 BFAERP C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000400356523 225063478 /nfs/dbraw/zinc/06/34/78/225063478.db2.gz BJWUPPYFXNOKCI-RWMBFGLXSA-N 2 0 224.392 2.543 10 0 BFAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400416526 226343189 /nfs/dbraw/zinc/34/31/89/226343189.db2.gz VKYJPBJCFJIKOY-YDHLFZDLSA-N 2 0 232.371 2.644 10 0 BFAERP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CC[NH2+]C1 ZINC000400528031 226345814 /nfs/dbraw/zinc/34/58/14/226345814.db2.gz QRQZIPDCGXIRLE-MQYQWHSLSA-N 2 0 224.392 2.543 10 0 BFAERP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000397797543 262934640 /nfs/dbraw/zinc/93/46/40/262934640.db2.gz MAJNVRFHTABSIL-AGIUHOORSA-N 2 0 226.408 2.598 10 0 BFAERP CCCC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400455028 528061515 /nfs/dbraw/zinc/06/15/15/528061515.db2.gz PRLYOXNFLJOQIU-CHWSQXEVSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)c1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000258940202 322879934 /nfs/dbraw/zinc/87/99/34/322879934.db2.gz QHIQPVNWODFTFO-AWEZNQCLSA-N 2 0 232.371 2.509 10 0 BFAERP C[C@H]([NH2+]CC1(C2CC2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000571038374 323104461 /nfs/dbraw/zinc/10/44/61/323104461.db2.gz QEZBYLSMOGIXMX-QWHCGFSZSA-N 2 0 236.403 2.544 10 0 BFAERP CCCC1(C[NH2+]C2CCC([NH3+])CC2)CCC1 ZINC000391843197 323183364 /nfs/dbraw/zinc/18/33/64/323183364.db2.gz NSWFADUHSQIIJI-UHFFFAOYSA-N 2 0 224.392 2.816 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757135070 582513693 /nfs/dbraw/zinc/51/36/93/582513693.db2.gz YEBXIPMPCHLBBV-KBPBESRZSA-N 2 0 224.392 2.639 10 0 BFAERP CC(C)CC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757135074 582513949 /nfs/dbraw/zinc/51/39/49/582513949.db2.gz YEBXIPMPCHLBBV-ZIAGYGMSSA-N 2 0 224.392 2.639 10 0 BFAERP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400343468 533837550 /nfs/dbraw/zinc/83/75/50/533837550.db2.gz IEPDQTSRIXYIKK-GXTWGEPZSA-N 2 0 224.392 2.544 10 0 BFAERP CC(C)(C[NH2+]C1CCC([NH3+])CC1)C1=CCCC1 ZINC000308756351 527170303 /nfs/dbraw/zinc/17/03/03/527170303.db2.gz NDPPYZBNCPEKQQ-UHFFFAOYSA-N 2 0 236.403 2.982 10 0 BFAERP CC(C)C(C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400381203 527589367 /nfs/dbraw/zinc/58/93/67/527589367.db2.gz KHLMCZLNOFLWMS-STQMWFEESA-N 2 0 226.408 2.502 10 0 BFAERP CCC1CCC(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400335538 527832030 /nfs/dbraw/zinc/83/20/30/527832030.db2.gz HFMRQPXSKQHOOR-VXGQWTEUSA-N 2 0 238.419 2.790 10 0 BFAERP CCCC1CCC([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400320238 528079374 /nfs/dbraw/zinc/07/93/74/528079374.db2.gz AWRLVZKWAIHTQR-FEWQNLEASA-N 2 0 238.419 2.933 10 0 BFAERP CCCC1CCC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400320240 528080253 /nfs/dbraw/zinc/08/02/53/528080253.db2.gz AWRLVZKWAIHTQR-JLVJUDLZSA-N 2 0 238.419 2.933 10 0 BFAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400755160 528100939 /nfs/dbraw/zinc/10/09/39/528100939.db2.gz WUDKVSRQFSKISY-BBRMVZONSA-N 2 0 246.398 2.898 10 0 BFAERP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517500 529125416 /nfs/dbraw/zinc/12/54/16/529125416.db2.gz GNQXTUZAQKUBIC-IMJJTQAJSA-N 2 0 246.398 2.971 10 0 BFAERP CC(C)[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129168 586426171 /nfs/dbraw/zinc/42/61/71/586426171.db2.gz KVPVSJYEQRWNOB-HZSPNIEDSA-N 2 0 224.392 2.637 10 0 BFAERP CCC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757129048 586426397 /nfs/dbraw/zinc/42/63/97/586426397.db2.gz KRMQIKXXINFVDR-BFHYXJOUSA-N 2 0 224.392 2.782 10 0 BFAERP [NH3+]CC[C@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757206767 586437544 /nfs/dbraw/zinc/43/75/44/586437544.db2.gz AOAGAXYCOXYLKN-BXUZGUMPSA-N 2 0 243.354 2.557 10 0 BFAERP [NH3+]C[C@@H]1CC[NH2+][C@H](c2cscc2C(F)F)C1 ZINC000757235801 586443542 /nfs/dbraw/zinc/44/35/42/586443542.db2.gz MTWKHYKKFNEAAE-XCBNKYQSSA-N 2 0 246.326 2.685 10 0 BFAERP C[C@H]1[NH2+]CCC[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757236288 586443727 /nfs/dbraw/zinc/44/37/27/586443727.db2.gz NWDPZEBNCKQGLB-ABAIWWIYSA-N 2 0 244.382 2.878 10 0 BFAERP CCC[N@@H+]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000076453361 641812756 /nfs/dbraw/zinc/81/27/56/641812756.db2.gz ALGCXVBUFFWJPH-INIZCTEOSA-N 2 0 246.398 2.551 10 0 BFAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@@]12C[C@@H]1CCCC2 ZINC000708874299 712202119 /nfs/dbraw/zinc/20/21/19/712202119.db2.gz GWMDQFLGBSBWDP-AIEDFZFUSA-N 2 0 236.403 2.543 10 0 BFAERP CC[C@H]([C@@H]1C[C@@H]1C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752982 712497222 /nfs/dbraw/zinc/49/72/22/712497222.db2.gz GPCHSFBLSXZFDB-YNEHKIRRSA-N 2 0 224.392 2.624 10 0 BFAERP CC[C@H]([C@H]1C[C@H]1C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752979 712497236 /nfs/dbraw/zinc/49/72/36/712497236.db2.gz GPCHSFBLSXZFDB-FRRDWIJNSA-N 2 0 224.392 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+](C2CC(C(C)C)C2)CC1 ZINC000714752890 712497412 /nfs/dbraw/zinc/49/74/12/712497412.db2.gz DKQCTYXZGMJNPY-UHFFFAOYSA-N 2 0 224.392 2.624 10 0 BFAERP CCC1([NH3+])CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000714756666 712497699 /nfs/dbraw/zinc/49/76/99/712497699.db2.gz LDROWTIFFUYSGN-OLZOCXBDSA-N 2 0 224.392 2.768 10 0 BFAERP C[C@H](CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(C)(C)C ZINC000715025897 712504140 /nfs/dbraw/zinc/50/41/40/712504140.db2.gz YNEPKCHQUZMAOK-MCIONIFRSA-N 2 0 238.419 2.743 10 0 BFAERP C[C@H]([NH2+]CCCCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000716376576 712557265 /nfs/dbraw/zinc/55/72/65/712557265.db2.gz ABIXZNNBEWAKLK-JSGCOSHPSA-N 2 0 224.392 2.544 10 0 BFAERP