smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc[nH+]c(C)c1[C@H](C)O[C@H]1CC[NH2+]C1 ZINC000242495972 259325936 /nfs/dbraw/zinc/32/59/36/259325936.db2.gz GWAWNDBDTSHGCH-RYUDHWBXSA-N 2 2 220.316 2.138 40 0 BEABLP C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC000022073588 343039628 /nfs/dbraw/zinc/03/96/28/343039628.db2.gz STPNJXDWCNEGFA-ZDUSSCGKSA-N 2 2 218.344 2.261 40 0 BEABLP Cn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040417111 343402611 /nfs/dbraw/zinc/40/26/11/343402611.db2.gz KSWKIIHOMZOFDP-UHFFFAOYSA-N 2 2 223.707 2.118 40 0 BEABLP Cc1cccc([C@@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000038809138 179184006 /nfs/dbraw/zinc/18/40/06/179184006.db2.gz MUCTYFFCYRIBAA-CQSZACIVSA-N 2 2 218.344 2.481 40 0 BEABLP CC(C)c1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000019796042 353120661 /nfs/dbraw/zinc/12/06/61/353120661.db2.gz BSDWAFYGYONRKD-ZDUSSCGKSA-N 2 2 206.333 2.371 40 0 BEABLP Cc1ccc[nH+]c1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000205699128 368359441 /nfs/dbraw/zinc/35/94/41/368359441.db2.gz VXSBXBNMKZBQLK-YHWZYXNKSA-N 2 2 216.328 2.463 40 0 BEABLP [NH3+]C[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000035677083 384089302 /nfs/dbraw/zinc/08/93/02/384089302.db2.gz NWFCYTZWYNFJAU-HNNXBMFYSA-N 2 2 242.322 2.224 40 0 BEABLP [NH3+]C[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000035677082 384089394 /nfs/dbraw/zinc/08/93/94/384089394.db2.gz NWFCYTZWYNFJAU-OAHLLOKOSA-N 2 2 242.322 2.224 40 0 BEABLP CCC[C@@H]([NH3+])C[N@H+](CC)Cc1ccncc1 ZINC000042516914 384152971 /nfs/dbraw/zinc/15/29/71/384152971.db2.gz GDQFDTOBHQYZQZ-CYBMUJFWSA-N 2 2 221.348 2.031 40 0 BEABLP CCC[C@@H]([NH3+])C[N@@H+](CC)Cc1ccncc1 ZINC000042516914 384152978 /nfs/dbraw/zinc/15/29/78/384152978.db2.gz GDQFDTOBHQYZQZ-CYBMUJFWSA-N 2 2 221.348 2.031 40 0 BEABLP Fc1ccc(C[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000067802650 384165421 /nfs/dbraw/zinc/16/54/21/384165421.db2.gz MBQLPUBUPKOUJG-UHFFFAOYSA-N 2 2 242.725 2.321 40 0 BEABLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510526 385249956 /nfs/dbraw/zinc/24/99/56/385249956.db2.gz DZALLZYRMODTAK-QWHCGFSZSA-N 2 2 249.358 2.042 40 0 BEABLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510526 385249959 /nfs/dbraw/zinc/24/99/59/385249959.db2.gz DZALLZYRMODTAK-QWHCGFSZSA-N 2 2 249.358 2.042 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC000096523597 385267569 /nfs/dbraw/zinc/26/75/69/385267569.db2.gz NLLVJKVMPNGXEI-ZDUSSCGKSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1ccccc1F ZINC000096523597 385267575 /nfs/dbraw/zinc/26/75/75/385267575.db2.gz NLLVJKVMPNGXEI-ZDUSSCGKSA-N 2 2 236.334 2.181 40 0 BEABLP C[C@@H]([NH3+])C[N@H+](Cc1ccco1)C1CCCC1 ZINC000096523889 385270665 /nfs/dbraw/zinc/27/06/65/385270665.db2.gz XJPCBTIADHGJKE-LLVKDONJSA-N 2 2 222.332 2.371 40 0 BEABLP C[C@@H]([NH3+])C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000096523889 385270672 /nfs/dbraw/zinc/27/06/72/385270672.db2.gz XJPCBTIADHGJKE-LLVKDONJSA-N 2 2 222.332 2.371 40 0 BEABLP C[NH+](C)CC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000020273985 385514661 /nfs/dbraw/zinc/51/46/61/385514661.db2.gz BHCWWKIOLOCHRY-LLVKDONJSA-N 2 2 212.724 2.292 40 0 BEABLP CCOc1cccc2c(NCCC[NH3+])cc[nH+]c12 ZINC000222681324 386059312 /nfs/dbraw/zinc/05/93/12/386059312.db2.gz QHZINDIWFCCLJE-UHFFFAOYSA-N 2 2 245.326 2.394 40 0 BEABLP CC[NH+](CC)[C@H](C[NH3+])c1cccc(C)c1 ZINC000038860269 386140321 /nfs/dbraw/zinc/14/03/21/386140321.db2.gz PYCOBKDXVRLWGL-CYBMUJFWSA-N 2 2 206.333 2.337 40 0 BEABLP CCc1[nH+]c2ccccc2n1C[C@H]1CCC[NH2+]1 ZINC000062807713 388657821 /nfs/dbraw/zinc/65/78/21/388657821.db2.gz CEDKIDADDSYGOD-LLVKDONJSA-N 2 2 229.327 2.351 40 0 BEABLP c1ccc(N2CCC3(CC[NH2+]CC3)CC2)[nH+]c1 ZINC000004238135 132316352 /nfs/dbraw/zinc/31/63/52/132316352.db2.gz WAXJEURRWLTWEC-UHFFFAOYSA-N 2 2 231.343 2.052 40 0 BEABLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000038539882 398013394 /nfs/dbraw/zinc/01/33/94/398013394.db2.gz OCNPVWVNUJIZCQ-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000038539882 398013396 /nfs/dbraw/zinc/01/33/96/398013396.db2.gz OCNPVWVNUJIZCQ-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000072411137 410028590 /nfs/dbraw/zinc/02/85/90/410028590.db2.gz BSEBPYRQKRQSIO-QWHCGFSZSA-N 2 2 222.307 2.185 40 0 BEABLP C[N@@H+]1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257326719 173021940 /nfs/dbraw/zinc/02/19/40/173021940.db2.gz WYHSVWHQSPTQPP-LLVKDONJSA-N 2 2 215.300 2.144 40 0 BEABLP C[N@H+]1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257326719 173021942 /nfs/dbraw/zinc/02/19/42/173021942.db2.gz WYHSVWHQSPTQPP-LLVKDONJSA-N 2 2 215.300 2.144 40 0 BEABLP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000033961909 173366920 /nfs/dbraw/zinc/36/69/20/173366920.db2.gz OMJZRIGOKXUQEC-AWEZNQCLSA-N 2 2 218.344 2.261 40 0 BEABLP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000033961909 173366922 /nfs/dbraw/zinc/36/69/22/173366922.db2.gz OMJZRIGOKXUQEC-AWEZNQCLSA-N 2 2 218.344 2.261 40 0 BEABLP Clc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000072202836 487994393 /nfs/dbraw/zinc/99/43/93/487994393.db2.gz PMTRXXSTDJNHED-LBPRGKRZSA-N 2 2 224.735 2.182 40 0 BEABLP CC[NH+](CC)CCC[NH2+]Cc1ccc(C)o1 ZINC000019942839 520622257 /nfs/dbraw/zinc/62/22/57/520622257.db2.gz LGZDCSIEZDTGMC-UHFFFAOYSA-N 2 2 224.348 2.410 40 0 BEABLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574143 /nfs/dbraw/zinc/57/41/43/1167574143.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 2 2 230.355 2.213 40 0 BEABLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574150 /nfs/dbraw/zinc/57/41/50/1167574150.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 2 2 230.355 2.213 40 0 BEABLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574155 /nfs/dbraw/zinc/57/41/55/1167574155.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 2 2 230.355 2.213 40 0 BEABLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574161 /nfs/dbraw/zinc/57/41/61/1167574161.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 2 2 230.355 2.213 40 0 BEABLP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000043501380 342795779 /nfs/dbraw/zinc/79/57/79/342795779.db2.gz PNBAOBFIECCROI-AWEZNQCLSA-N 2 2 218.344 2.179 40 0 BEABLP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000043501380 342795780 /nfs/dbraw/zinc/79/57/80/342795780.db2.gz PNBAOBFIECCROI-AWEZNQCLSA-N 2 2 218.344 2.179 40 0 BEABLP CC(C)(C)c1ccc(C[NH2+]CC[NH3+])cc1 ZINC000037712250 323107727 /nfs/dbraw/zinc/10/77/27/323107727.db2.gz LVNWSRPKSFNYIW-UHFFFAOYSA-N 2 2 206.333 2.032 40 0 BEABLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000038539782 348704492 /nfs/dbraw/zinc/70/44/92/348704492.db2.gz RYCXZXKVRYQRMU-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000038539782 348704494 /nfs/dbraw/zinc/70/44/94/348704494.db2.gz RYCXZXKVRYQRMU-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP [NH3+]C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000038539760 181344819 /nfs/dbraw/zinc/34/48/19/181344819.db2.gz ALGMTGVLDUQQSJ-UHFFFAOYSA-N 2 2 242.725 2.402 40 0 BEABLP [NH3+]CC[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000032014909 181390805 /nfs/dbraw/zinc/39/08/05/181390805.db2.gz OCIRSSDVXOCHEE-UHFFFAOYSA-N 2 2 224.735 2.263 40 0 BEABLP [NH3+]CC[N@@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000032014909 181390806 /nfs/dbraw/zinc/39/08/06/181390806.db2.gz OCIRSSDVXOCHEE-UHFFFAOYSA-N 2 2 224.735 2.263 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000205688542 368358454 /nfs/dbraw/zinc/35/84/54/368358454.db2.gz APIZUUQHYNEIHX-SNVBAGLBSA-N 2 2 248.355 2.164 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000205688542 368358457 /nfs/dbraw/zinc/35/84/57/368358457.db2.gz APIZUUQHYNEIHX-SNVBAGLBSA-N 2 2 248.355 2.164 40 0 BEABLP C([C@H]1CCCC[NH2+]1)[NH+]1CCCCCCC1 ZINC000020266057 371256669 /nfs/dbraw/zinc/25/66/69/371256669.db2.gz NOLHLBOSSOJEMB-CYBMUJFWSA-N 2 2 210.365 2.395 40 0 BEABLP c1cc2c(s1)CC[NH2+][C@H]2COc1cc[nH+]cc1 ZINC000096526599 183358805 /nfs/dbraw/zinc/35/88/05/183358805.db2.gz LVYYJCCSTILEBP-LBPRGKRZSA-N 2 2 246.335 2.409 40 0 BEABLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000036904499 183398343 /nfs/dbraw/zinc/39/83/43/183398343.db2.gz KSJRWDWIFHZRLF-HNNXBMFYSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000036904499 183398345 /nfs/dbraw/zinc/39/83/45/183398345.db2.gz KSJRWDWIFHZRLF-HNNXBMFYSA-N 2 2 230.355 2.403 40 0 BEABLP C[NH+](C)CCC[NH2+]Cc1ccccc1Cl ZINC000057362385 384942754 /nfs/dbraw/zinc/94/27/54/384942754.db2.gz YZUMVNVVBSKFSU-UHFFFAOYSA-N 2 2 226.751 2.381 40 0 BEABLP CSCC[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000096523848 385269825 /nfs/dbraw/zinc/26/98/25/385269825.db2.gz SAECLIOPLWNVPM-CYBMUJFWSA-N 2 2 238.400 2.199 40 0 BEABLP CSCC[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000096523848 385269832 /nfs/dbraw/zinc/26/98/32/385269832.db2.gz SAECLIOPLWNVPM-CYBMUJFWSA-N 2 2 238.400 2.199 40 0 BEABLP C[NH+](C)[C@H](CC[NH3+])c1ccccc1Cl ZINC000041226726 385688840 /nfs/dbraw/zinc/68/88/40/385688840.db2.gz RZVAUDVGENAUMG-LLVKDONJSA-N 2 2 212.724 2.292 40 0 BEABLP Cc1c[nH+]c([C@H]2CCN(c3cc[nH+]cc3)C2)[nH]1 ZINC000257219270 385752961 /nfs/dbraw/zinc/75/29/61/385752961.db2.gz DGFRPGWTXMNWCF-NSHDSACASA-N 2 2 228.299 2.107 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257252611 385757356 /nfs/dbraw/zinc/75/73/56/385757356.db2.gz JVKXSNHWOYOHAX-LLVKDONJSA-N 2 2 246.314 2.004 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257252611 385757359 /nfs/dbraw/zinc/75/73/59/385757359.db2.gz JVKXSNHWOYOHAX-LLVKDONJSA-N 2 2 246.314 2.004 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000257337929 385763284 /nfs/dbraw/zinc/76/32/84/385763284.db2.gz YVBHIHJNPHJDBO-JTQLQIEISA-N 2 2 248.355 2.164 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000257337930 385763659 /nfs/dbraw/zinc/76/36/59/385763659.db2.gz YVBHIHJNPHJDBO-SNVBAGLBSA-N 2 2 248.355 2.164 40 0 BEABLP C[NH2+][C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000050269994 387955128 /nfs/dbraw/zinc/95/51/28/387955128.db2.gz IATAHNRFLYIWSF-VIFPVBQESA-N 2 2 219.115 2.213 40 0 BEABLP C[NH2+][C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000050269920 387955488 /nfs/dbraw/zinc/95/54/88/387955488.db2.gz AWDHXXBQVMIWJJ-QMMMGPOBSA-N 2 2 219.115 2.213 40 0 BEABLP CC(C)c1ccc([C@@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217660900 388378828 /nfs/dbraw/zinc/37/88/28/388378828.db2.gz RZAQKRLKXBQPIV-KBPBESRZSA-N 2 2 218.344 2.166 40 0 BEABLP CC(C)c1ccc([C@@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217660900 388378832 /nfs/dbraw/zinc/37/88/32/388378832.db2.gz RZAQKRLKXBQPIV-KBPBESRZSA-N 2 2 218.344 2.166 40 0 BEABLP C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2cccc3ccccc32)C1 ZINC000225606783 388839384 /nfs/dbraw/zinc/83/93/84/388839384.db2.gz ZFXMGGNUDJFQJW-HUUCEWRRSA-N 2 2 226.323 2.196 40 0 BEABLP C[N@H+]1C[C@@H]([NH3+])[C@@H](c2cccc3ccccc32)C1 ZINC000225606783 388839387 /nfs/dbraw/zinc/83/93/87/388839387.db2.gz ZFXMGGNUDJFQJW-HUUCEWRRSA-N 2 2 226.323 2.196 40 0 BEABLP COc1ccc2ccccc2c1[C@@H](C[NH3+])[NH+](C)C ZINC000037290091 397996090 /nfs/dbraw/zinc/99/60/90/397996090.db2.gz AHHQXKZTEKRYQB-CYBMUJFWSA-N 2 2 244.338 2.410 40 0 BEABLP Cc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1C ZINC000037179866 397971612 /nfs/dbraw/zinc/97/16/12/397971612.db2.gz INJUAPOOOREKPT-CQSZACIVSA-N 2 2 218.344 2.399 40 0 BEABLP C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037242289 173323327 /nfs/dbraw/zinc/32/33/27/173323327.db2.gz NTSSFQBKYXOOFD-UHFFFAOYSA-N 2 2 222.307 2.010 40 0 BEABLP COc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000038809152 175353600 /nfs/dbraw/zinc/35/36/00/175353600.db2.gz AWACISUOWGQNCH-JSGCOSHPSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000038809152 175353602 /nfs/dbraw/zinc/35/36/02/175353602.db2.gz AWACISUOWGQNCH-JSGCOSHPSA-N 2 2 248.370 2.427 40 0 BEABLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC[NH3+] ZINC000054416973 177036283 /nfs/dbraw/zinc/03/62/83/177036283.db2.gz OFRYUUCOXKWPLM-SECBINFHSA-N 2 2 212.724 2.292 40 0 BEABLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[NH3+] ZINC000054416973 177036285 /nfs/dbraw/zinc/03/62/85/177036285.db2.gz OFRYUUCOXKWPLM-SECBINFHSA-N 2 2 212.724 2.292 40 0 BEABLP Cc1cc[nH+]c(C)c1[C@H](C)O[C@@H]1CC[NH2+]C1 ZINC000242495971 259326042 /nfs/dbraw/zinc/32/60/42/259326042.db2.gz GWAWNDBDTSHGCH-NWDGAFQWSA-N 2 2 220.316 2.138 40 0 BEABLP Cc1cccc(C[NH+]2CCC([NH3+])CC2)c1F ZINC000038539606 179073891 /nfs/dbraw/zinc/07/38/91/179073891.db2.gz JMZPJIOMKJRZAY-UHFFFAOYSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000032553276 179190105 /nfs/dbraw/zinc/19/01/05/179190105.db2.gz XNAJNSLEVJKKIS-ZDUSSCGKSA-N 2 2 204.317 2.091 40 0 BEABLP Cc1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000032553276 179190107 /nfs/dbraw/zinc/19/01/07/179190107.db2.gz XNAJNSLEVJKKIS-ZDUSSCGKSA-N 2 2 204.317 2.091 40 0 BEABLP C([C@@H]1CCCC[NH2+]1)[NH+]1CCCCCCC1 ZINC000020266054 349256784 /nfs/dbraw/zinc/25/67/84/349256784.db2.gz NOLHLBOSSOJEMB-ZDUSSCGKSA-N 2 2 210.365 2.395 40 0 BEABLP CC[NH+](CC)[C@@H](C[NH3+])c1ccccc1C ZINC000038827557 350324052 /nfs/dbraw/zinc/32/40/52/350324052.db2.gz OWQIRLVOUXXGRO-ZDUSSCGKSA-N 2 2 206.333 2.337 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccncc3)C2)[nH+]1 ZINC000205694749 368358229 /nfs/dbraw/zinc/35/82/29/368358229.db2.gz ZDDBLBDIIDRJRV-ZDUSSCGKSA-N 2 2 242.326 2.103 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccncc3)C2)[nH+]1 ZINC000205694749 368358237 /nfs/dbraw/zinc/35/82/37/368358237.db2.gz ZDDBLBDIIDRJRV-ZDUSSCGKSA-N 2 2 242.326 2.103 40 0 BEABLP CCCC[NH2+]CC[NH2+]Cc1ccccc1 ZINC000066184120 383849676 /nfs/dbraw/zinc/84/96/76/383849676.db2.gz VPGBCOLYZXVUJU-UHFFFAOYSA-N 2 2 206.333 2.166 40 0 BEABLP CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000079437956 384146575 /nfs/dbraw/zinc/14/65/75/384146575.db2.gz CPSVIPMHUOWCOQ-AWEZNQCLSA-N 2 2 218.344 2.259 40 0 BEABLP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000079437956 384146578 /nfs/dbraw/zinc/14/65/78/384146578.db2.gz CPSVIPMHUOWCOQ-AWEZNQCLSA-N 2 2 218.344 2.259 40 0 BEABLP C[NH2+][C@@H]1CC[N@H+](C)Cc2ccc(Cl)cc21 ZINC000096509728 385246517 /nfs/dbraw/zinc/24/65/17/385246517.db2.gz QXNZHHHTZVDUPM-GFCCVEGCSA-N 2 2 224.735 2.436 40 0 BEABLP C[NH2+][C@@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21 ZINC000096509728 385246524 /nfs/dbraw/zinc/24/65/24/385246524.db2.gz QXNZHHHTZVDUPM-GFCCVEGCSA-N 2 2 224.735 2.436 40 0 BEABLP CCc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539484 385667554 /nfs/dbraw/zinc/66/75/54/385667554.db2.gz DDTJKIYABAGRFL-CQSZACIVSA-N 2 2 218.344 2.172 40 0 BEABLP CCc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539484 385667561 /nfs/dbraw/zinc/66/75/61/385667561.db2.gz DDTJKIYABAGRFL-CQSZACIVSA-N 2 2 218.344 2.172 40 0 BEABLP Cc1c[nH+]c([C@@H]2CCN(c3cc[nH+]cc3)C2)[nH]1 ZINC000257219269 385752987 /nfs/dbraw/zinc/75/29/87/385752987.db2.gz DGFRPGWTXMNWCF-LLVKDONJSA-N 2 2 228.299 2.107 40 0 BEABLP Cc1ccc([C@H](C)O[C@@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000252488751 388653352 /nfs/dbraw/zinc/65/33/52/388653352.db2.gz IXXRNOQIHCRCST-NWDGAFQWSA-N 2 2 220.316 2.138 40 0 BEABLP CCc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH2+]1 ZINC000062807712 388657727 /nfs/dbraw/zinc/65/77/27/388657727.db2.gz CEDKIDADDSYGOD-NSHDSACASA-N 2 2 229.327 2.351 40 0 BEABLP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000072411139 410028354 /nfs/dbraw/zinc/02/83/54/410028354.db2.gz BSEBPYRQKRQSIO-STQMWFEESA-N 2 2 222.307 2.185 40 0 BEABLP C[N@@H+]1CCCC[C@@H]1c1ccc(-n2cc[nH+]c2)nc1 ZINC000072386559 173008521 /nfs/dbraw/zinc/00/85/21/173008521.db2.gz RGXXBCYZOKBQQT-CYBMUJFWSA-N 2 2 242.326 2.424 40 0 BEABLP C[N@H+]1CCCC[C@@H]1c1ccc(-n2cc[nH+]c2)nc1 ZINC000072386559 173008524 /nfs/dbraw/zinc/00/85/24/173008524.db2.gz RGXXBCYZOKBQQT-CYBMUJFWSA-N 2 2 242.326 2.424 40 0 BEABLP COc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000022222377 175294250 /nfs/dbraw/zinc/29/42/50/175294250.db2.gz AEZAJJACDUCXGH-DOMZBBRYSA-N 2 2 248.370 2.427 40 0 BEABLP COc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000022222377 175294251 /nfs/dbraw/zinc/29/42/51/175294251.db2.gz AEZAJJACDUCXGH-DOMZBBRYSA-N 2 2 248.370 2.427 40 0 BEABLP Cc1cc(NCC[NH3+])c2cccc(F)c2[nH+]1 ZINC000222686617 178162137 /nfs/dbraw/zinc/16/21/37/178162137.db2.gz RUZAERLJMKHNND-UHFFFAOYSA-N 2 2 219.263 2.053 40 0 BEABLP Cc1ccc(-c2nc(NCC[NH3+])cc(C)[nH+]2)cc1 ZINC000008731094 178332810 /nfs/dbraw/zinc/33/28/10/178332810.db2.gz XOPDWAUBIKWTGS-UHFFFAOYSA-N 2 2 242.326 2.131 40 0 BEABLP CN(C)[PH+](CC[PH+](C)C)N(C)C ZINC000001624241 342706306 /nfs/dbraw/zinc/70/63/06/342706306.db2.gz ZZHHBWCWDZSOFZ-UHFFFAOYSA-N 2 2 208.226 2.163 40 0 BEABLP Cc1cc[nH+]c(C)c1[C@@H](C)O[C@H]1CC[NH2+]C1 ZINC000242495970 259326109 /nfs/dbraw/zinc/32/61/09/259326109.db2.gz GWAWNDBDTSHGCH-NEPJUHHUSA-N 2 2 220.316 2.138 40 0 BEABLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000038539778 348704511 /nfs/dbraw/zinc/70/45/11/348704511.db2.gz RYCXZXKVRYQRMU-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000038539778 348704513 /nfs/dbraw/zinc/70/45/13/348704513.db2.gz RYCXZXKVRYQRMU-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000043472085 180103019 /nfs/dbraw/zinc/10/30/19/180103019.db2.gz ZBFZJBXGSRCXMM-LBPRGKRZSA-N 2 2 229.327 2.344 40 0 BEABLP Clc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000038040532 368047204 /nfs/dbraw/zinc/04/72/04/368047204.db2.gz YOGAWZGIPCTFTR-UHFFFAOYSA-N 2 2 224.735 2.182 40 0 BEABLP c1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000079437996 183396475 /nfs/dbraw/zinc/39/64/75/183396475.db2.gz MQWGGUMLYJKQFK-OAHLLOKOSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000079437996 183396477 /nfs/dbraw/zinc/39/64/77/183396477.db2.gz MQWGGUMLYJKQFK-OAHLLOKOSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000079437975 183396850 /nfs/dbraw/zinc/39/68/50/183396850.db2.gz FBLJWEZDOUIJOT-CQSZACIVSA-N 2 2 216.328 2.013 40 0 BEABLP c1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000079437975 183396852 /nfs/dbraw/zinc/39/68/52/183396852.db2.gz FBLJWEZDOUIJOT-CQSZACIVSA-N 2 2 216.328 2.013 40 0 BEABLP c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000079437985 183397626 /nfs/dbraw/zinc/39/76/26/183397626.db2.gz AXIKROJKPGHWDS-CQSZACIVSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@H+](C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000079437985 183397628 /nfs/dbraw/zinc/39/76/28/183397628.db2.gz AXIKROJKPGHWDS-CQSZACIVSA-N 2 2 230.355 2.403 40 0 BEABLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000039318905 383901337 /nfs/dbraw/zinc/90/13/37/383901337.db2.gz OJJLINUDLBPOAS-UHFFFAOYSA-N 2 2 212.724 2.121 40 0 BEABLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000039318905 383901338 /nfs/dbraw/zinc/90/13/38/383901338.db2.gz OJJLINUDLBPOAS-UHFFFAOYSA-N 2 2 212.724 2.121 40 0 BEABLP C[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000043501382 384191316 /nfs/dbraw/zinc/19/13/16/384191316.db2.gz KZDLUXFYCLSDKJ-ZDUSSCGKSA-N 2 2 222.307 2.010 40 0 BEABLP C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000043501382 384191320 /nfs/dbraw/zinc/19/13/20/384191320.db2.gz KZDLUXFYCLSDKJ-ZDUSSCGKSA-N 2 2 222.307 2.010 40 0 BEABLP CN(C)c1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000096523579 385267351 /nfs/dbraw/zinc/26/73/51/385267351.db2.gz OLWAAGUGJVBJQX-HNNXBMFYSA-N 2 2 247.386 2.066 40 0 BEABLP CN(C)c1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000096523579 385267358 /nfs/dbraw/zinc/26/73/58/385267358.db2.gz OLWAAGUGJVBJQX-HNNXBMFYSA-N 2 2 247.386 2.066 40 0 BEABLP CSCC[C@@H]([NH3+])C[N@H+](C)C1CCCCC1 ZINC000096523858 385267472 /nfs/dbraw/zinc/26/74/72/385267472.db2.gz KDYCGPHBOVVHAU-LLVKDONJSA-N 2 2 230.421 2.331 40 0 BEABLP CSCC[C@@H]([NH3+])C[N@@H+](C)C1CCCCC1 ZINC000096523858 385267480 /nfs/dbraw/zinc/26/74/80/385267480.db2.gz KDYCGPHBOVVHAU-LLVKDONJSA-N 2 2 230.421 2.331 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1cccc(F)c1 ZINC000096523594 385268390 /nfs/dbraw/zinc/26/83/90/385268390.db2.gz TWHDMAONWCCENB-CQSZACIVSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1cccc(F)c1 ZINC000096523594 385268396 /nfs/dbraw/zinc/26/83/96/385268396.db2.gz TWHDMAONWCCENB-CQSZACIVSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1ccc(F)cc1 ZINC000096523598 385268580 /nfs/dbraw/zinc/26/85/80/385268580.db2.gz RWAPTHDGEHBIDG-CQSZACIVSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1ccc(F)cc1 ZINC000096523598 385268584 /nfs/dbraw/zinc/26/85/84/385268584.db2.gz RWAPTHDGEHBIDG-CQSZACIVSA-N 2 2 236.334 2.181 40 0 BEABLP C[C@H]([NH3+])C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000096523884 385270685 /nfs/dbraw/zinc/27/06/85/385270685.db2.gz FILVYYGZXTXEBE-LBPRGKRZSA-N 2 2 216.328 2.123 40 0 BEABLP C[C@H]([NH3+])C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000096523884 385270692 /nfs/dbraw/zinc/27/06/92/385270692.db2.gz FILVYYGZXTXEBE-LBPRGKRZSA-N 2 2 216.328 2.123 40 0 BEABLP CC(C)(C)[NH2+][Si]([NH2+]C(C)(C)C)[NH2+]C(C)(C)C ZINC000198054843 385549115 /nfs/dbraw/zinc/54/91/15/385549115.db2.gz LBFNBHQPKWSWMM-UHFFFAOYSA-N 3 2 244.479 2.136 40 0 BEABLP CCC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000036873530 385588500 /nfs/dbraw/zinc/58/85/00/385588500.db2.gz SCUBACUEIDDAIL-ZDUSSCGKSA-N 2 2 206.333 2.246 40 0 BEABLP CCC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000036873530 385588505 /nfs/dbraw/zinc/58/85/05/385588505.db2.gz SCUBACUEIDDAIL-ZDUSSCGKSA-N 2 2 206.333 2.246 40 0 BEABLP CSCC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000039794786 386157847 /nfs/dbraw/zinc/15/78/47/386157847.db2.gz SAECLIOPLWNVPM-ZDUSSCGKSA-N 2 2 238.400 2.199 40 0 BEABLP CSCC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000039794786 386157854 /nfs/dbraw/zinc/15/78/54/386157854.db2.gz SAECLIOPLWNVPM-ZDUSSCGKSA-N 2 2 238.400 2.199 40 0 BEABLP [NH3+]C[C@H](c1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000037363691 386453884 /nfs/dbraw/zinc/45/38/84/386453884.db2.gz LFXDJTRBOMYOPT-CQSZACIVSA-N 2 2 246.354 2.107 40 0 BEABLP C[N@H+](CCc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000088195046 386894295 /nfs/dbraw/zinc/89/42/95/386894295.db2.gz CTLXLONAXQHHEF-HNNXBMFYSA-N 2 2 232.371 2.303 40 0 BEABLP C[N@@H+](CCc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000088195046 386894301 /nfs/dbraw/zinc/89/43/01/386894301.db2.gz CTLXLONAXQHHEF-HNNXBMFYSA-N 2 2 232.371 2.303 40 0 BEABLP C[NH2+][C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000050269921 387955609 /nfs/dbraw/zinc/95/56/09/387955609.db2.gz AWDHXXBQVMIWJJ-MRVPVSSYSA-N 2 2 219.115 2.213 40 0 BEABLP COc1cccc(CC[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000096523575 175252066 /nfs/dbraw/zinc/25/20/66/175252066.db2.gz XQADNWWCRYWHHG-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP COc1cccc(CC[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000096523575 175252068 /nfs/dbraw/zinc/25/20/68/175252068.db2.gz XQADNWWCRYWHHG-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP C[C@@H](c1ccc(F)cc1)[N@H+](CC[NH3+])C1CC1 ZINC000079421285 176015670 /nfs/dbraw/zinc/01/56/70/176015670.db2.gz HYZGUTPQKMUOHQ-JTQLQIEISA-N 2 2 222.307 2.310 40 0 BEABLP C[C@@H](c1ccc(F)cc1)[N@@H+](CC[NH3+])C1CC1 ZINC000079421285 176015672 /nfs/dbraw/zinc/01/56/72/176015672.db2.gz HYZGUTPQKMUOHQ-JTQLQIEISA-N 2 2 222.307 2.310 40 0 BEABLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC[NH3+] ZINC000054416972 176017171 /nfs/dbraw/zinc/01/71/71/176017171.db2.gz OFRYUUCOXKWPLM-VIFPVBQESA-N 2 2 212.724 2.292 40 0 BEABLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC[NH3+] ZINC000054416972 176017173 /nfs/dbraw/zinc/01/71/73/176017173.db2.gz OFRYUUCOXKWPLM-VIFPVBQESA-N 2 2 212.724 2.292 40 0 BEABLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000038539814 178086346 /nfs/dbraw/zinc/08/63/46/178086346.db2.gz XIMFMHZBZINZPV-ZDUSSCGKSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000038539814 178086347 /nfs/dbraw/zinc/08/63/47/178086347.db2.gz XIMFMHZBZINZPV-ZDUSSCGKSA-N 2 2 222.307 2.057 40 0 BEABLP CC[C@@H](C)[C@H]([NH3+])C[N@H+](CC)Cc1ccncc1 ZINC000042516905 342778081 /nfs/dbraw/zinc/77/80/81/342778081.db2.gz RXTNZCKMPYFWTC-TZMCWYRMSA-N 2 2 235.375 2.277 40 0 BEABLP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](CC)Cc1ccncc1 ZINC000042516905 342778082 /nfs/dbraw/zinc/77/80/82/342778082.db2.gz RXTNZCKMPYFWTC-TZMCWYRMSA-N 2 2 235.375 2.277 40 0 BEABLP Cc1cc(-n2cc[nH+]c2)c2cccc(O)c2[nH+]1 ZINC000021984893 343032106 /nfs/dbraw/zinc/03/21/06/343032106.db2.gz SOJUHQVMWVAPJB-UHFFFAOYSA-N 2 2 225.251 2.435 40 0 BEABLP C[C@H](C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC000022073590 343039494 /nfs/dbraw/zinc/03/94/94/343039494.db2.gz STPNJXDWCNEGFA-CYBMUJFWSA-N 2 2 218.344 2.261 40 0 BEABLP C1=C[N+]2=C(C1)C1=C(CN=[N+]1c1ccccc1)C2 ZINC000096305389 187288895 /nfs/dbraw/zinc/28/88/95/187288895.db2.gz IOPYAHAXMRYOGA-UHFFFAOYSA-N 2 2 223.279 2.435 40 0 BEABLP CCC[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000036873556 347952419 /nfs/dbraw/zinc/95/24/19/347952419.db2.gz RNWQPGKHRUODNT-AWEZNQCLSA-N 2 2 218.344 2.172 40 0 BEABLP CCC[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000036873556 347952422 /nfs/dbraw/zinc/95/24/22/347952422.db2.gz RNWQPGKHRUODNT-AWEZNQCLSA-N 2 2 218.344 2.172 40 0 BEABLP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000072202927 180580152 /nfs/dbraw/zinc/58/01/52/180580152.db2.gz XYNRULYVFXCODS-LBPRGKRZSA-N 2 2 224.735 2.182 40 0 BEABLP C[NH+](C)[C@@H](CC[NH3+])c1ccccc1Cl ZINC000041226725 358737681 /nfs/dbraw/zinc/73/76/81/358737681.db2.gz RZVAUDVGENAUMG-NSHDSACASA-N 2 2 212.724 2.292 40 0 BEABLP [NH3+]C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000036754312 181345075 /nfs/dbraw/zinc/34/50/75/181345075.db2.gz WLMUBAJRXMQQNI-UHFFFAOYSA-N 2 2 242.725 2.402 40 0 BEABLP [NH3+]CCCNc1[nH+]ccc2ccc(F)cc21 ZINC000082765958 181383250 /nfs/dbraw/zinc/38/32/50/181383250.db2.gz PYYLSGAXXYALHY-UHFFFAOYSA-N 2 2 219.263 2.135 40 0 BEABLP c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000082346505 183399368 /nfs/dbraw/zinc/39/93/68/183399368.db2.gz OOKMXRYWLZPJSM-OAHLLOKOSA-N 2 2 230.355 2.405 40 0 BEABLP c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000082346505 183399371 /nfs/dbraw/zinc/39/93/71/183399371.db2.gz OOKMXRYWLZPJSM-OAHLLOKOSA-N 2 2 230.355 2.405 40 0 BEABLP CCOc1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000057956538 385148445 /nfs/dbraw/zinc/14/84/45/385148445.db2.gz KCHCSZLLVFRWAA-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP CCOc1ccc(CC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000057956538 385148453 /nfs/dbraw/zinc/14/84/53/385148453.db2.gz KCHCSZLLVFRWAA-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP C[C@H]([NH3+])C[N@H+](Cc1ccco1)C1CCCC1 ZINC000096523888 385272926 /nfs/dbraw/zinc/27/29/26/385272926.db2.gz XJPCBTIADHGJKE-NSHDSACASA-N 2 2 222.332 2.371 40 0 BEABLP C[C@H]([NH3+])C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000096523888 385272931 /nfs/dbraw/zinc/27/29/31/385272931.db2.gz XJPCBTIADHGJKE-NSHDSACASA-N 2 2 222.332 2.371 40 0 BEABLP Cc1c[nH]c([C@@H]2CCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000257276712 385758021 /nfs/dbraw/zinc/75/80/21/385758021.db2.gz NUVRAZTWFRGQGM-LLVKDONJSA-N 2 2 228.299 2.107 40 0 BEABLP C[N@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000096319872 385912010 /nfs/dbraw/zinc/91/20/10/385912010.db2.gz JVFDHGBEJGGCOD-UHFFFAOYSA-N 2 2 233.142 2.384 40 0 BEABLP C[N@@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000096319872 385912013 /nfs/dbraw/zinc/91/20/13/385912013.db2.gz JVFDHGBEJGGCOD-UHFFFAOYSA-N 2 2 233.142 2.384 40 0 BEABLP [NH3+]C[C@@H](c1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000037363693 386453759 /nfs/dbraw/zinc/45/37/59/386453759.db2.gz LFXDJTRBOMYOPT-AWEZNQCLSA-N 2 2 246.354 2.107 40 0 BEABLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000053201460 387533761 /nfs/dbraw/zinc/53/37/61/387533761.db2.gz HQLQBBYPEOLREE-AWEZNQCLSA-N 2 2 218.344 2.179 40 0 BEABLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000053201460 387533765 /nfs/dbraw/zinc/53/37/65/387533765.db2.gz HQLQBBYPEOLREE-AWEZNQCLSA-N 2 2 218.344 2.179 40 0 BEABLP Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539530 388373001 /nfs/dbraw/zinc/37/30/01/388373001.db2.gz HSNOHCLBEGBHIA-GFCCVEGCSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1c(F)cccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539530 388373004 /nfs/dbraw/zinc/37/30/04/388373004.db2.gz HSNOHCLBEGBHIA-GFCCVEGCSA-N 2 2 222.307 2.057 40 0 BEABLP C[N@H+]1C[C@@H](c2cccc3ccccc32)[C@H]([NH3+])C1 ZINC000217661716 388379050 /nfs/dbraw/zinc/37/90/50/388379050.db2.gz ZFXMGGNUDJFQJW-LSDHHAIUSA-N 2 2 226.323 2.196 40 0 BEABLP C[N@@H+]1C[C@@H](c2cccc3ccccc32)[C@H]([NH3+])C1 ZINC000217661716 388379051 /nfs/dbraw/zinc/37/90/51/388379051.db2.gz ZFXMGGNUDJFQJW-LSDHHAIUSA-N 2 2 226.323 2.196 40 0 BEABLP c1cn(-c2ccc(OC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC000002527209 388593316 /nfs/dbraw/zinc/59/33/16/388593316.db2.gz JAXHYYQLGVOIKL-UHFFFAOYSA-N 2 2 243.310 2.003 40 0 BEABLP C[N@@H+]1CC[C@@H]([NH3+])c2cc(Cl)ccc2C1 ZINC000096509721 173120554 /nfs/dbraw/zinc/12/05/54/173120554.db2.gz XIFVNCLCMYZZAH-LLVKDONJSA-N 2 2 210.708 2.175 40 0 BEABLP C[N@H+]1CC[C@@H]([NH3+])c2cc(Cl)ccc2C1 ZINC000096509721 173120556 /nfs/dbraw/zinc/12/05/56/173120556.db2.gz XIFVNCLCMYZZAH-LLVKDONJSA-N 2 2 210.708 2.175 40 0 BEABLP C[NH2+]CCCNc1cc[nH+]c2c(OC)cccc12 ZINC000222681059 173349708 /nfs/dbraw/zinc/34/97/08/173349708.db2.gz CPDWRICEPBOBDA-UHFFFAOYSA-N 2 2 245.326 2.265 40 0 BEABLP COCC[NH+]1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257222442 174305544 /nfs/dbraw/zinc/30/55/44/174305544.db2.gz DTIBYVDKUDQFPS-UHFFFAOYSA-N 2 2 248.370 2.291 40 0 BEABLP COc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000096523577 175098774 /nfs/dbraw/zinc/09/87/74/175098774.db2.gz QOYGDBZEXQXREY-AWEZNQCLSA-N 2 2 248.370 2.317 40 0 BEABLP COc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000096523577 175098776 /nfs/dbraw/zinc/09/87/76/175098776.db2.gz QOYGDBZEXQXREY-AWEZNQCLSA-N 2 2 248.370 2.317 40 0 BEABLP C[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000040240932 343399104 /nfs/dbraw/zinc/39/91/04/343399104.db2.gz WYPAWXHOCYERMM-ZDUSSCGKSA-N 2 2 218.344 2.085 40 0 BEABLP C[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000040240932 343399105 /nfs/dbraw/zinc/39/91/05/343399105.db2.gz WYPAWXHOCYERMM-ZDUSSCGKSA-N 2 2 218.344 2.085 40 0 BEABLP CSc1ccc(C[N@H+](CC[NH3+])C2CC2)cc1 ZINC000079420467 187263176 /nfs/dbraw/zinc/26/31/76/187263176.db2.gz YLEWDXUYGNZVEP-UHFFFAOYSA-N 2 2 236.384 2.332 40 0 BEABLP CSc1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1 ZINC000079420467 187263178 /nfs/dbraw/zinc/26/31/78/187263178.db2.gz YLEWDXUYGNZVEP-UHFFFAOYSA-N 2 2 236.384 2.332 40 0 BEABLP Cc1ccccc1[C@H](C[NH3+])[NH+]1CCCCC1 ZINC000038827602 179342215 /nfs/dbraw/zinc/34/22/15/179342215.db2.gz VLNKNMJEGZNBOP-AWEZNQCLSA-N 2 2 218.344 2.481 40 0 BEABLP Cc1[nH+]c2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC000002577400 180104127 /nfs/dbraw/zinc/10/41/27/180104127.db2.gz DUKNGBYLXZMJCK-LLVKDONJSA-N 2 2 215.300 2.269 40 0 BEABLP CC(C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000072356982 188307350 /nfs/dbraw/zinc/30/73/50/188307350.db2.gz HDZMXGIFJMATSD-GFCCVEGCSA-N 2 2 221.348 2.083 40 0 BEABLP CC(C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000072356982 188307352 /nfs/dbraw/zinc/30/73/52/188307352.db2.gz HDZMXGIFJMATSD-GFCCVEGCSA-N 2 2 221.348 2.083 40 0 BEABLP CC(C)(C)c1c[nH]c(C2CC[NH2+]CC2)[nH+]1 ZINC000036874262 360002186 /nfs/dbraw/zinc/00/21/86/360002186.db2.gz YYGZDOWPSKSBPW-UHFFFAOYSA-N 2 2 207.321 2.174 40 0 BEABLP c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000082346507 183398603 /nfs/dbraw/zinc/39/86/03/183398603.db2.gz OOKMXRYWLZPJSM-HNNXBMFYSA-N 2 2 230.355 2.405 40 0 BEABLP c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000082346507 183398605 /nfs/dbraw/zinc/39/86/05/183398605.db2.gz OOKMXRYWLZPJSM-HNNXBMFYSA-N 2 2 230.355 2.405 40 0 BEABLP CC(C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000072356983 384210134 /nfs/dbraw/zinc/21/01/34/384210134.db2.gz HDZMXGIFJMATSD-LBPRGKRZSA-N 2 2 221.348 2.083 40 0 BEABLP CC(C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000072356983 384210136 /nfs/dbraw/zinc/21/01/36/384210136.db2.gz HDZMXGIFJMATSD-LBPRGKRZSA-N 2 2 221.348 2.083 40 0 BEABLP CCCC[N@@H+](Cc1ccco1)C[C@H](C)[NH3+] ZINC000096523895 385272185 /nfs/dbraw/zinc/27/21/85/385272185.db2.gz UVMJFMOOCSKQQI-NSHDSACASA-N 2 2 210.321 2.229 40 0 BEABLP CCCC[N@H+](Cc1ccco1)C[C@H](C)[NH3+] ZINC000096523895 385272190 /nfs/dbraw/zinc/27/21/90/385272190.db2.gz UVMJFMOOCSKQQI-NSHDSACASA-N 2 2 210.321 2.229 40 0 BEABLP [NH3+]C[C@@H](Cc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000575422721 387037146 /nfs/dbraw/zinc/03/71/46/387037146.db2.gz CFUNMTJZYVVVAV-SSDOTTSWSA-N 2 2 243.232 2.243 40 0 BEABLP C[NH2+][C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000050269995 387955277 /nfs/dbraw/zinc/95/52/77/387955277.db2.gz IATAHNRFLYIWSF-SECBINFHSA-N 2 2 219.115 2.213 40 0 BEABLP C[NH2+][C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000050269854 387955436 /nfs/dbraw/zinc/95/54/36/387955436.db2.gz ZNSDEAVRHBLAGK-VIFPVBQESA-N 2 2 219.115 2.213 40 0 BEABLP CC[NH+](CC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000038808975 388612377 /nfs/dbraw/zinc/61/23/77/388612377.db2.gz APQKMJFBSXTSDZ-GFCCVEGCSA-N 2 2 210.296 2.167 40 0 BEABLP Cc1cc(N2CC[NH2+]CC2)c2cccc(F)c2[nH+]1 ZINC000032500257 132295154 /nfs/dbraw/zinc/29/51/54/132295154.db2.gz GDPUUBORBRJEPM-UHFFFAOYSA-N 2 2 245.301 2.092 40 0 BEABLP CC[NH+](CC)c1ccc([C@@H]2C[C@@H]2[NH3+])cc1 ZINC000062494915 398046233 /nfs/dbraw/zinc/04/62/33/398046233.db2.gz GVMVJVUMXASALG-STQMWFEESA-N 2 2 204.317 2.347 40 0 BEABLP CC[NH+](CC)c1ccc([C@H]2C[C@H]2[NH3+])cc1 ZINC000062494918 398046405 /nfs/dbraw/zinc/04/64/05/398046405.db2.gz GVMVJVUMXASALG-CHWSQXEVSA-N 2 2 204.317 2.347 40 0 BEABLP CC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000053648445 170120122 /nfs/dbraw/zinc/12/01/22/170120122.db2.gz WNUBSXWDQOHEEU-AWEZNQCLSA-N 2 2 218.344 2.261 40 0 BEABLP CC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000053648445 170120123 /nfs/dbraw/zinc/12/01/23/170120123.db2.gz WNUBSXWDQOHEEU-AWEZNQCLSA-N 2 2 218.344 2.261 40 0 BEABLP C[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000040240933 343399051 /nfs/dbraw/zinc/39/90/51/343399051.db2.gz WYPAWXHOCYERMM-CYBMUJFWSA-N 2 2 218.344 2.085 40 0 BEABLP C[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000040240933 343399053 /nfs/dbraw/zinc/39/90/53/343399053.db2.gz WYPAWXHOCYERMM-CYBMUJFWSA-N 2 2 218.344 2.085 40 0 BEABLP Cc1cccc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC000032011646 179071496 /nfs/dbraw/zinc/07/14/96/179071496.db2.gz OFIIYEDMVWNJLV-UHFFFAOYSA-N 2 2 206.333 2.164 40 0 BEABLP Cc1cccc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC000032011646 179071497 /nfs/dbraw/zinc/07/14/97/179071497.db2.gz OFIIYEDMVWNJLV-UHFFFAOYSA-N 2 2 206.333 2.164 40 0 BEABLP Cc1cccc([C@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000038808842 179198647 /nfs/dbraw/zinc/19/86/47/179198647.db2.gz BBSLVZVOUQMTNI-ZDUSSCGKSA-N 2 2 204.317 2.091 40 0 BEABLP CC(C)c1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000019796040 353120579 /nfs/dbraw/zinc/12/05/79/353120579.db2.gz BSDWAFYGYONRKD-CYBMUJFWSA-N 2 2 206.333 2.371 40 0 BEABLP [NH3+]C1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000038539557 181344858 /nfs/dbraw/zinc/34/48/58/181344858.db2.gz DWJKIZNYLWDPPL-UHFFFAOYSA-N 2 2 242.725 2.402 40 0 BEABLP CCC[N@H+](C[C@@H]([NH3+])CCSC)CC1CC1 ZINC000096523873 169138655 /nfs/dbraw/zinc/13/86/55/169138655.db2.gz MYZVIZJQPVCMOH-LBPRGKRZSA-N 2 2 230.421 2.189 40 0 BEABLP CCC[N@@H+](C[C@@H]([NH3+])CCSC)CC1CC1 ZINC000096523873 169138656 /nfs/dbraw/zinc/13/86/56/169138656.db2.gz MYZVIZJQPVCMOH-LBPRGKRZSA-N 2 2 230.421 2.189 40 0 BEABLP CCC[NH+](CCC)C[C@@H]([NH3+])CCSC ZINC000039794815 169147204 /nfs/dbraw/zinc/14/72/04/169147204.db2.gz TYTUMLNFFLQEHS-NSHDSACASA-N 2 2 218.410 2.189 40 0 BEABLP c1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC000079437999 183396226 /nfs/dbraw/zinc/39/62/26/183396226.db2.gz MQWGGUMLYJKQFK-HNNXBMFYSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC000079437999 183396230 /nfs/dbraw/zinc/39/62/30/183396230.db2.gz MQWGGUMLYJKQFK-HNNXBMFYSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000053649315 183399654 /nfs/dbraw/zinc/39/96/54/183399654.db2.gz CDWNMFBKHYTWNM-OAHLLOKOSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000053649315 183399656 /nfs/dbraw/zinc/39/96/56/183399656.db2.gz CDWNMFBKHYTWNM-OAHLLOKOSA-N 2 2 230.355 2.403 40 0 BEABLP FC(F)(F)c1cc[nH+]c(NC2CC[NH2+]CC2)c1 ZINC000090803784 384076465 /nfs/dbraw/zinc/07/64/65/384076465.db2.gz LHUHSNIYAGFCJM-UHFFFAOYSA-N 2 2 245.248 2.264 40 0 BEABLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCC[NH2+]1 ZINC000043494153 384188631 /nfs/dbraw/zinc/18/86/31/384188631.db2.gz XXIKFPWBJCKTQX-LBPRGKRZSA-N 2 2 229.327 2.487 40 0 BEABLP CCOc1cccc2c(NCC[NH3+])cc[nH+]c12 ZINC000222681241 386058590 /nfs/dbraw/zinc/05/85/90/386058590.db2.gz DLBATWSSEHNZRP-UHFFFAOYSA-N 2 2 231.299 2.004 40 0 BEABLP CC(C)c1ccc([C@H]2C[N@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217660966 388378625 /nfs/dbraw/zinc/37/86/25/388378625.db2.gz RZAQKRLKXBQPIV-KGLIPLIRSA-N 2 2 218.344 2.166 40 0 BEABLP CC(C)c1ccc([C@H]2C[N@@H+](C)C[C@@H]2[NH3+])cc1 ZINC000217660966 388378627 /nfs/dbraw/zinc/37/86/27/388378627.db2.gz RZAQKRLKXBQPIV-KGLIPLIRSA-N 2 2 218.344 2.166 40 0 BEABLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000038539875 398013284 /nfs/dbraw/zinc/01/32/84/398013284.db2.gz OCNPVWVNUJIZCQ-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000038539875 398013288 /nfs/dbraw/zinc/01/32/88/398013288.db2.gz OCNPVWVNUJIZCQ-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP CCn1cc(C[NH2+]CC[NH+](C)C)c2ccccc21 ZINC000020968451 172170426 /nfs/dbraw/zinc/17/04/26/172170426.db2.gz SRDHZAJYKQCBRW-UHFFFAOYSA-N 2 2 245.370 2.312 40 0 BEABLP COc1cccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000038808883 175294452 /nfs/dbraw/zinc/29/44/52/175294452.db2.gz KCIUKWKSSGWHEG-HNNXBMFYSA-N 2 2 248.370 2.427 40 0 BEABLP COc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000036092662 175294480 /nfs/dbraw/zinc/29/44/80/175294480.db2.gz AEZAJJACDUCXGH-WFASDCNBSA-N 2 2 248.370 2.427 40 0 BEABLP COc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000036092662 175294481 /nfs/dbraw/zinc/29/44/81/175294481.db2.gz AEZAJJACDUCXGH-WFASDCNBSA-N 2 2 248.370 2.427 40 0 BEABLP Cc1cccc(-c2nc(NCC[NH3+])cc(C)[nH+]2)c1 ZINC000008731087 344243875 /nfs/dbraw/zinc/24/38/75/344243875.db2.gz UUDCATQFIATRJJ-UHFFFAOYSA-N 2 2 242.326 2.131 40 0 BEABLP Cc1ccccc1C[N@@H+](CC[NH3+])C(C)C ZINC000032011645 179271337 /nfs/dbraw/zinc/27/13/37/179271337.db2.gz QPNUTKVNYWATNL-UHFFFAOYSA-N 2 2 206.333 2.164 40 0 BEABLP Cc1ccccc1C[N@H+](CC[NH3+])C(C)C ZINC000032011645 179271339 /nfs/dbraw/zinc/27/13/39/179271339.db2.gz QPNUTKVNYWATNL-UHFFFAOYSA-N 2 2 206.333 2.164 40 0 BEABLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000038539655 348703203 /nfs/dbraw/zinc/70/32/03/348703203.db2.gz IJYPOXAGCQQMGK-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000038539655 348703206 /nfs/dbraw/zinc/70/32/06/348703206.db2.gz IJYPOXAGCQQMGK-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539885 348705349 /nfs/dbraw/zinc/70/53/49/348705349.db2.gz UICPTCGPPWEBMI-CYBMUJFWSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539885 348705352 /nfs/dbraw/zinc/70/53/52/348705352.db2.gz UICPTCGPPWEBMI-CYBMUJFWSA-N 2 2 222.307 2.057 40 0 BEABLP C[NH+](C)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022220651 349272447 /nfs/dbraw/zinc/27/24/47/349272447.db2.gz TVGWGARVOMTGOM-JTQLQIEISA-N 2 2 248.248 2.147 40 0 BEABLP Cc1c(F)cccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000038539538 362965118 /nfs/dbraw/zinc/96/51/18/362965118.db2.gz HSNOHCLBEGBHIA-LBPRGKRZSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1c(F)cccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000038539538 362965125 /nfs/dbraw/zinc/96/51/25/362965125.db2.gz HSNOHCLBEGBHIA-LBPRGKRZSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000019843374 354929662 /nfs/dbraw/zinc/92/96/62/354929662.db2.gz JREOTEGZCVNMIX-AWEZNQCLSA-N 2 2 218.344 2.308 40 0 BEABLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000019843374 354929666 /nfs/dbraw/zinc/92/96/66/354929666.db2.gz JREOTEGZCVNMIX-AWEZNQCLSA-N 2 2 218.344 2.308 40 0 BEABLP COc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000108349920 358441208 /nfs/dbraw/zinc/44/12/08/358441208.db2.gz AWACISUOWGQNCH-GXTWGEPZSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000108349920 358441213 /nfs/dbraw/zinc/44/12/13/358441213.db2.gz AWACISUOWGQNCH-GXTWGEPZSA-N 2 2 248.370 2.427 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@H+](CC3CCC3)C2)[nH+]1 ZINC000205694311 368358727 /nfs/dbraw/zinc/35/87/27/368358727.db2.gz NOFZQQKCYJXRKW-LBPRGKRZSA-N 2 2 219.332 2.308 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@@H+](CC3CCC3)C2)[nH+]1 ZINC000205694311 368358730 /nfs/dbraw/zinc/35/87/30/368358730.db2.gz NOFZQQKCYJXRKW-LBPRGKRZSA-N 2 2 219.332 2.308 40 0 BEABLP CCC[N@@H+](Cc1ccco1)C[C@@H]([NH3+])C(C)C ZINC000096523744 169179495 /nfs/dbraw/zinc/17/94/95/169179495.db2.gz GDLQTOPFBLUJDY-CYBMUJFWSA-N 2 2 224.348 2.475 40 0 BEABLP CCC[N@H+](Cc1ccco1)C[C@@H]([NH3+])C(C)C ZINC000096523744 169179497 /nfs/dbraw/zinc/17/94/97/169179497.db2.gz GDLQTOPFBLUJDY-CYBMUJFWSA-N 2 2 224.348 2.475 40 0 BEABLP CCC[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000036873557 169393135 /nfs/dbraw/zinc/39/31/35/169393135.db2.gz RNWQPGKHRUODNT-CQSZACIVSA-N 2 2 218.344 2.172 40 0 BEABLP CCC[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000036873557 169393136 /nfs/dbraw/zinc/39/31/36/169393136.db2.gz RNWQPGKHRUODNT-CQSZACIVSA-N 2 2 218.344 2.172 40 0 BEABLP C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000043501381 384192323 /nfs/dbraw/zinc/19/23/23/384192323.db2.gz KZDLUXFYCLSDKJ-CYBMUJFWSA-N 2 2 222.307 2.010 40 0 BEABLP C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000043501381 384192325 /nfs/dbraw/zinc/19/23/25/384192325.db2.gz KZDLUXFYCLSDKJ-CYBMUJFWSA-N 2 2 222.307 2.010 40 0 BEABLP C[C@@](C[NH3+])(c1cccs1)[NH+]1CCCC1 ZINC000070453215 384563741 /nfs/dbraw/zinc/56/37/41/384563741.db2.gz MFDGROLEJWSDAG-LLVKDONJSA-N 2 2 210.346 2.018 40 0 BEABLP CCOc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000057362367 384943142 /nfs/dbraw/zinc/94/31/42/384943142.db2.gz MGBBLBGOYVWKKG-UHFFFAOYSA-N 2 2 236.359 2.127 40 0 BEABLP C[C@@](C[NH3+])(c1ccccc1)[NH+]1CCCCC1 ZINC000059842762 385056756 /nfs/dbraw/zinc/05/67/56/385056756.db2.gz WJTVYSCXELPPQR-CQSZACIVSA-N 2 2 218.344 2.346 40 0 BEABLP C[NH2+][C@H]1CC[N@H+](C)Cc2ccc(Cl)cc21 ZINC000096509729 385246467 /nfs/dbraw/zinc/24/64/67/385246467.db2.gz QXNZHHHTZVDUPM-LBPRGKRZSA-N 2 2 224.735 2.436 40 0 BEABLP C[NH2+][C@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21 ZINC000096509729 385246470 /nfs/dbraw/zinc/24/64/70/385246470.db2.gz QXNZHHHTZVDUPM-LBPRGKRZSA-N 2 2 224.735 2.436 40 0 BEABLP CSCC[C@H]([NH3+])C[N@H+](C)C1CCCCC1 ZINC000096523859 385268867 /nfs/dbraw/zinc/26/88/67/385268867.db2.gz KDYCGPHBOVVHAU-NSHDSACASA-N 2 2 230.421 2.331 40 0 BEABLP CSCC[C@H]([NH3+])C[N@@H+](C)C1CCCCC1 ZINC000096523859 385268871 /nfs/dbraw/zinc/26/88/71/385268871.db2.gz KDYCGPHBOVVHAU-NSHDSACASA-N 2 2 230.421 2.331 40 0 BEABLP C[N@H+](CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000096319871 385911973 /nfs/dbraw/zinc/91/19/73/385911973.db2.gz ZLPHPPZVUCPTEZ-UHFFFAOYSA-N 2 2 232.249 2.096 40 0 BEABLP C[N@@H+](CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000096319871 385911974 /nfs/dbraw/zinc/91/19/74/385911974.db2.gz ZLPHPPZVUCPTEZ-UHFFFAOYSA-N 2 2 232.249 2.096 40 0 BEABLP Fc1ccc(Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000067802907 387854894 /nfs/dbraw/zinc/85/48/94/387854894.db2.gz WKOLLZMMOHCQET-UHFFFAOYSA-N 2 2 242.725 2.321 40 0 BEABLP COc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000216076820 388352040 /nfs/dbraw/zinc/35/20/40/388352040.db2.gz AWACISUOWGQNCH-TZMCWYRMSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000216076820 388352043 /nfs/dbraw/zinc/35/20/43/388352043.db2.gz AWACISUOWGQNCH-TZMCWYRMSA-N 2 2 248.370 2.427 40 0 BEABLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1F ZINC000096320094 388815550 /nfs/dbraw/zinc/81/55/50/388815550.db2.gz YSUGNFZYKJKBSM-CYBMUJFWSA-N 2 2 236.334 2.447 40 0 BEABLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1F ZINC000096320094 388815555 /nfs/dbraw/zinc/81/55/55/388815555.db2.gz YSUGNFZYKJKBSM-CYBMUJFWSA-N 2 2 236.334 2.447 40 0 BEABLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215219 173039559 /nfs/dbraw/zinc/03/95/59/173039559.db2.gz SKEBJGKZJGRVFH-CQSZACIVSA-N 2 2 234.343 2.197 40 0 BEABLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215219 173039561 /nfs/dbraw/zinc/03/95/61/173039561.db2.gz SKEBJGKZJGRVFH-CQSZACIVSA-N 2 2 234.343 2.197 40 0 BEABLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096215219 173039564 /nfs/dbraw/zinc/03/95/64/173039564.db2.gz SKEBJGKZJGRVFH-CQSZACIVSA-N 2 2 234.343 2.197 40 0 BEABLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096215219 173039565 /nfs/dbraw/zinc/03/95/65/173039565.db2.gz SKEBJGKZJGRVFH-CQSZACIVSA-N 2 2 234.343 2.197 40 0 BEABLP C[N@@H+]1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257326720 173049214 /nfs/dbraw/zinc/04/92/14/173049214.db2.gz WYHSVWHQSPTQPP-NSHDSACASA-N 2 2 215.300 2.144 40 0 BEABLP C[N@H+]1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257326720 173049217 /nfs/dbraw/zinc/04/92/17/173049217.db2.gz WYHSVWHQSPTQPP-NSHDSACASA-N 2 2 215.300 2.144 40 0 BEABLP C[NH2+]CCC[NH2+]Cc1c(F)cccc1Cl ZINC000057362441 173349158 /nfs/dbraw/zinc/34/91/58/173349158.db2.gz NYEZHVBUPFCBBR-UHFFFAOYSA-N 2 2 230.714 2.178 40 0 BEABLP COc1cccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000038808884 175287987 /nfs/dbraw/zinc/28/79/87/175287987.db2.gz KCIUKWKSSGWHEG-OAHLLOKOSA-N 2 2 248.370 2.427 40 0 BEABLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573715 /nfs/dbraw/zinc/57/37/15/1167573715.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 2 2 230.355 2.213 40 0 BEABLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573718 /nfs/dbraw/zinc/57/37/18/1167573718.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 2 2 230.355 2.213 40 0 BEABLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573723 /nfs/dbraw/zinc/57/37/23/1167573723.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 2 2 230.355 2.213 40 0 BEABLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573727 /nfs/dbraw/zinc/57/37/27/1167573727.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 2 2 230.355 2.213 40 0 BEABLP Cc1cc[nH+]c(C)c1[C@@H](C)O[C@@H]1CC[NH2+]C1 ZINC000242495973 259326003 /nfs/dbraw/zinc/32/60/03/259326003.db2.gz GWAWNDBDTSHGCH-VXGBXAGGSA-N 2 2 220.316 2.138 40 0 BEABLP Cn1c(CCC[NH3+])[nH+]c2cccc(Cl)c21 ZINC000037443582 342931390 /nfs/dbraw/zinc/93/13/90/342931390.db2.gz UUAOUHOPSPNLDU-UHFFFAOYSA-N 2 2 223.707 2.118 40 0 BEABLP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1C ZINC000038539502 179074202 /nfs/dbraw/zinc/07/42/02/179074202.db2.gz SRWAGDJGSVRRNX-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1C ZINC000038539502 179074206 /nfs/dbraw/zinc/07/42/06/179074206.db2.gz SRWAGDJGSVRRNX-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000038539647 348703399 /nfs/dbraw/zinc/70/33/99/348703399.db2.gz IJYPOXAGCQQMGK-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000038539647 348703402 /nfs/dbraw/zinc/70/34/02/348703402.db2.gz IJYPOXAGCQQMGK-CQSZACIVSA-N 2 2 218.344 2.227 40 0 BEABLP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000038808973 363150210 /nfs/dbraw/zinc/15/02/10/363150210.db2.gz APQKMJFBSXTSDZ-LBPRGKRZSA-N 2 2 210.296 2.167 40 0 BEABLP C[C@]12CCC[NH2+][C@@H]1CCC[N@@H+]2Cc1cccnc1 ZINC000205675686 368357217 /nfs/dbraw/zinc/35/72/17/368357217.db2.gz QQJVIXAXIPNHQK-CABCVRRESA-N 2 2 245.370 2.188 40 0 BEABLP C[C@]12CCC[NH2+][C@@H]1CCC[N@H+]2Cc1cccnc1 ZINC000205675686 368357223 /nfs/dbraw/zinc/35/72/23/368357223.db2.gz QQJVIXAXIPNHQK-CABCVRRESA-N 2 2 245.370 2.188 40 0 BEABLP CC1(C)C[C@@H]([NH3+])c2cc3[nH]c[nH+]c3cc21 ZINC000057347038 369393032 /nfs/dbraw/zinc/39/30/32/369393032.db2.gz IWWKLSDLLRWYGC-SECBINFHSA-N 2 2 201.273 2.244 40 0 BEABLP COc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000108349931 369390726 /nfs/dbraw/zinc/39/07/26/369390726.db2.gz AEZAJJACDUCXGH-SWLSCSKDSA-N 2 2 248.370 2.427 40 0 BEABLP COc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000108349931 369390729 /nfs/dbraw/zinc/39/07/29/369390729.db2.gz AEZAJJACDUCXGH-SWLSCSKDSA-N 2 2 248.370 2.427 40 0 BEABLP C[NH+](C)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022220653 371526118 /nfs/dbraw/zinc/52/61/18/371526118.db2.gz TVGWGARVOMTGOM-SNVBAGLBSA-N 2 2 248.248 2.147 40 0 BEABLP CCC[NH+](CCC)C[C@H]([NH3+])CCSC ZINC000096523857 169148340 /nfs/dbraw/zinc/14/83/40/169148340.db2.gz TYTUMLNFFLQEHS-LLVKDONJSA-N 2 2 218.410 2.189 40 0 BEABLP CCC[C@H]([NH3+])C[N@H+](CC)Cc1ccncc1 ZINC000042516913 384153858 /nfs/dbraw/zinc/15/38/58/384153858.db2.gz GDQFDTOBHQYZQZ-ZDUSSCGKSA-N 2 2 221.348 2.031 40 0 BEABLP CCC[C@H]([NH3+])C[N@@H+](CC)Cc1ccncc1 ZINC000042516913 384153863 /nfs/dbraw/zinc/15/38/63/384153863.db2.gz GDQFDTOBHQYZQZ-ZDUSSCGKSA-N 2 2 221.348 2.031 40 0 BEABLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000067802645 384166002 /nfs/dbraw/zinc/16/60/02/384166002.db2.gz JZLICFBHWDKOPH-UHFFFAOYSA-N 2 2 242.725 2.321 40 0 BEABLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCC[NH2+]1 ZINC000043494156 384188635 /nfs/dbraw/zinc/18/86/35/384188635.db2.gz XXIKFPWBJCKTQX-GFCCVEGCSA-N 2 2 229.327 2.487 40 0 BEABLP CC(C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC000072356947 384210637 /nfs/dbraw/zinc/21/06/37/384210637.db2.gz MHOYXKIMVZUUOM-UHFFFAOYSA-N 2 2 207.321 2.008 40 0 BEABLP C[C@](C[NH3+])(c1ccccc1)[NH+]1CCCCC1 ZINC000059842764 385059025 /nfs/dbraw/zinc/05/90/25/385059025.db2.gz WJTVYSCXELPPQR-AWEZNQCLSA-N 2 2 218.344 2.346 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257252612 385758740 /nfs/dbraw/zinc/75/87/40/385758740.db2.gz JVKXSNHWOYOHAX-NSHDSACASA-N 2 2 246.314 2.004 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257252612 385758749 /nfs/dbraw/zinc/75/87/49/385758749.db2.gz JVKXSNHWOYOHAX-NSHDSACASA-N 2 2 246.314 2.004 40 0 BEABLP [NH3+]C[C@H](Cc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000575422730 387036440 /nfs/dbraw/zinc/03/64/40/387036440.db2.gz CFUNMTJZYVVVAV-ZETCQYMHSA-N 2 2 243.232 2.243 40 0 BEABLP Clc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000095067828 388590900 /nfs/dbraw/zinc/59/09/00/388590900.db2.gz GJTBBSQMEDUCHK-LBPRGKRZSA-N 2 2 224.735 2.182 40 0 BEABLP CC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000053648446 170122773 /nfs/dbraw/zinc/12/27/73/170122773.db2.gz WNUBSXWDQOHEEU-CQSZACIVSA-N 2 2 218.344 2.261 40 0 BEABLP CC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000053648446 170122774 /nfs/dbraw/zinc/12/27/74/170122774.db2.gz WNUBSXWDQOHEEU-CQSZACIVSA-N 2 2 218.344 2.261 40 0 BEABLP CCOC(=[NH2+])c1ccc(C(=[NH2+])OCC)cc1 ZINC000005315119 170179946 /nfs/dbraw/zinc/17/99/46/170179946.db2.gz DMSRHQUOJVYYHU-UHFFFAOYSA-N 2 2 220.272 2.410 40 0 BEABLP CC[C@H](C)[C@H]([NH3+])C[N@H+](CC)Cc1ccncc1 ZINC000042516906 171396304 /nfs/dbraw/zinc/39/63/04/171396304.db2.gz RXTNZCKMPYFWTC-GXTWGEPZSA-N 2 2 235.375 2.277 40 0 BEABLP CC[C@H](C)[C@H]([NH3+])C[N@@H+](CC)Cc1ccncc1 ZINC000042516906 171396306 /nfs/dbraw/zinc/39/63/06/171396306.db2.gz RXTNZCKMPYFWTC-GXTWGEPZSA-N 2 2 235.375 2.277 40 0 BEABLP C[N@@H+]1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355462 173022229 /nfs/dbraw/zinc/02/22/29/173022229.db2.gz SZDSNPRZUPTALK-GFCCVEGCSA-N 2 2 242.326 2.077 40 0 BEABLP C[N@H+]1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355462 173022231 /nfs/dbraw/zinc/02/22/31/173022231.db2.gz SZDSNPRZUPTALK-GFCCVEGCSA-N 2 2 242.326 2.077 40 0 BEABLP C[N@@H+]1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355461 173048959 /nfs/dbraw/zinc/04/89/59/173048959.db2.gz SZDSNPRZUPTALK-LBPRGKRZSA-N 2 2 242.326 2.077 40 0 BEABLP C[N@H+]1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355461 173048962 /nfs/dbraw/zinc/04/89/62/173048962.db2.gz SZDSNPRZUPTALK-LBPRGKRZSA-N 2 2 242.326 2.077 40 0 BEABLP COc1cccc(CCC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000096523534 175251772 /nfs/dbraw/zinc/25/17/72/175251772.db2.gz ARZQKFUEFMDIOE-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP COc1cccc(CCC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000096523534 175251773 /nfs/dbraw/zinc/25/17/73/175251773.db2.gz ARZQKFUEFMDIOE-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP C[C@@H](C[NH2+]Cc1ccccc1)[NH+]1CCCC1 ZINC000022073566 343039583 /nfs/dbraw/zinc/03/95/83/343039583.db2.gz XFAFMLBPIGURDY-ZDUSSCGKSA-N 2 2 218.344 2.261 40 0 BEABLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])s1 ZINC000044539822 349791708 /nfs/dbraw/zinc/79/17/08/349791708.db2.gz ORCMBXHNCCIXRO-NSHDSACASA-N 2 2 224.373 2.370 40 0 BEABLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])s1 ZINC000044539822 349791711 /nfs/dbraw/zinc/79/17/11/349791711.db2.gz ORCMBXHNCCIXRO-NSHDSACASA-N 2 2 224.373 2.370 40 0 BEABLP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000096523471 343758603 /nfs/dbraw/zinc/75/86/03/343758603.db2.gz SWRQGQGIWAEEFM-AWEZNQCLSA-N 2 2 248.370 2.399 40 0 BEABLP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000096523471 343758604 /nfs/dbraw/zinc/75/86/04/343758604.db2.gz SWRQGQGIWAEEFM-AWEZNQCLSA-N 2 2 248.370 2.399 40 0 BEABLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000072203999 178610005 /nfs/dbraw/zinc/61/00/05/178610005.db2.gz CWFBAQCDOMBJKW-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1cccc([C@@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000038808841 179184863 /nfs/dbraw/zinc/18/48/63/179184863.db2.gz BBSLVZVOUQMTNI-CYBMUJFWSA-N 2 2 204.317 2.091 40 0 BEABLP Cc1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000032553277 179204082 /nfs/dbraw/zinc/20/40/82/179204082.db2.gz XNAJNSLEVJKKIS-CYBMUJFWSA-N 2 2 204.317 2.091 40 0 BEABLP Cc1cccc([C@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000038809141 179199301 /nfs/dbraw/zinc/19/93/01/179199301.db2.gz MUCTYFFCYRIBAA-AWEZNQCLSA-N 2 2 218.344 2.481 40 0 BEABLP Cc1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000032553277 179204080 /nfs/dbraw/zinc/20/40/80/179204080.db2.gz XNAJNSLEVJKKIS-CYBMUJFWSA-N 2 2 204.317 2.091 40 0 BEABLP Cc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1C ZINC000037179868 348032027 /nfs/dbraw/zinc/03/20/27/348032027.db2.gz INJUAPOOOREKPT-AWEZNQCLSA-N 2 2 218.344 2.399 40 0 BEABLP CC[NH+](CC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000022172296 349272504 /nfs/dbraw/zinc/27/25/04/349272504.db2.gz RSVDJBPUBHVGLL-LBPRGKRZSA-N 2 2 210.296 2.167 40 0 BEABLP COc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038827599 350323684 /nfs/dbraw/zinc/32/36/84/350323684.db2.gz JQNIKZXOVAYJTM-DOMZBBRYSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038827599 350323688 /nfs/dbraw/zinc/32/36/88/350323688.db2.gz JQNIKZXOVAYJTM-DOMZBBRYSA-N 2 2 248.370 2.427 40 0 BEABLP CCOc1ccccc1[C@H](C[NH3+])[NH+](CC)CC ZINC000038827632 350324227 /nfs/dbraw/zinc/32/42/27/350324227.db2.gz HDEUOENKCSHZMT-ZDUSSCGKSA-N 2 2 236.359 2.427 40 0 BEABLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC000044539820 352354446 /nfs/dbraw/zinc/35/44/46/352354446.db2.gz ORCMBXHNCCIXRO-LLVKDONJSA-N 2 2 224.373 2.370 40 0 BEABLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC000044539820 352354447 /nfs/dbraw/zinc/35/44/47/352354447.db2.gz ORCMBXHNCCIXRO-LLVKDONJSA-N 2 2 224.373 2.370 40 0 BEABLP [NH3+]C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000038539729 181345155 /nfs/dbraw/zinc/34/51/55/181345155.db2.gz CXKKVJJTIBWSSG-UHFFFAOYSA-N 2 2 242.725 2.402 40 0 BEABLP [NH3+]CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000019366244 181397007 /nfs/dbraw/zinc/39/70/07/181397007.db2.gz SVWLNEWGIBUSGD-UHFFFAOYSA-N 2 2 219.115 2.042 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000205688655 368358107 /nfs/dbraw/zinc/35/81/07/368358107.db2.gz FJJJJDCTLXNOIO-ZDUSSCGKSA-N 2 2 242.326 2.103 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000205688655 368358113 /nfs/dbraw/zinc/35/81/13/368358113.db2.gz FJJJJDCTLXNOIO-ZDUSSCGKSA-N 2 2 242.326 2.103 40 0 BEABLP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000108349911 369389666 /nfs/dbraw/zinc/38/96/66/369389666.db2.gz JQNIKZXOVAYJTM-SWLSCSKDSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000108349911 369389672 /nfs/dbraw/zinc/38/96/72/369389672.db2.gz JQNIKZXOVAYJTM-SWLSCSKDSA-N 2 2 248.370 2.427 40 0 BEABLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000036904500 183398400 /nfs/dbraw/zinc/39/84/00/183398400.db2.gz KSJRWDWIFHZRLF-OAHLLOKOSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000036904500 183398402 /nfs/dbraw/zinc/39/84/02/183398402.db2.gz KSJRWDWIFHZRLF-OAHLLOKOSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000034973312 383820960 /nfs/dbraw/zinc/82/09/60/383820960.db2.gz HTTXVNRPINIIHA-CQSZACIVSA-N 2 2 216.328 2.013 40 0 BEABLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000034973312 383820965 /nfs/dbraw/zinc/82/09/65/383820965.db2.gz HTTXVNRPINIIHA-CQSZACIVSA-N 2 2 216.328 2.013 40 0 BEABLP CCOc1ccc(CC[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000057956535 385148729 /nfs/dbraw/zinc/14/87/29/385148729.db2.gz KCHCSZLLVFRWAA-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP CCOc1ccc(CC[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000057956535 385148736 /nfs/dbraw/zinc/14/87/36/385148736.db2.gz KCHCSZLLVFRWAA-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP CN(C)c1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000096523578 385268715 /nfs/dbraw/zinc/26/87/15/385268715.db2.gz OLWAAGUGJVBJQX-OAHLLOKOSA-N 2 2 247.386 2.066 40 0 BEABLP CN(C)c1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000096523578 385268718 /nfs/dbraw/zinc/26/87/18/385268718.db2.gz OLWAAGUGJVBJQX-OAHLLOKOSA-N 2 2 247.386 2.066 40 0 BEABLP Cc1c[nH+]c([C@@H]2CCCN(c3cc[nH+]cc3)C2)[nH]1 ZINC000257293008 385761179 /nfs/dbraw/zinc/76/11/79/385761179.db2.gz QNUIBMQJISTPBG-GFCCVEGCSA-N 2 2 242.326 2.497 40 0 BEABLP CCC[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000036873531 385823597 /nfs/dbraw/zinc/82/35/97/385823597.db2.gz SCUBACUEIDDAIL-CYBMUJFWSA-N 2 2 206.333 2.246 40 0 BEABLP CCC[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000036873531 385823604 /nfs/dbraw/zinc/82/36/04/385823604.db2.gz SCUBACUEIDDAIL-CYBMUJFWSA-N 2 2 206.333 2.246 40 0 BEABLP CC[N@H+](CC[NH3+])Cc1ccc(SC)cc1 ZINC000060054865 386486316 /nfs/dbraw/zinc/48/63/16/386486316.db2.gz YJCUFGBSVBGHHX-UHFFFAOYSA-N 2 2 224.373 2.189 40 0 BEABLP CC[N@@H+](CC[NH3+])Cc1ccc(SC)cc1 ZINC000060054865 386486319 /nfs/dbraw/zinc/48/63/19/386486319.db2.gz YJCUFGBSVBGHHX-UHFFFAOYSA-N 2 2 224.373 2.189 40 0 BEABLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000072411142 410027708 /nfs/dbraw/zinc/02/77/08/410027708.db2.gz BSEBPYRQKRQSIO-CHWSQXEVSA-N 2 2 222.307 2.185 40 0 BEABLP CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034963061 170150506 /nfs/dbraw/zinc/15/05/06/170150506.db2.gz GPRPWGYOLRHPLE-CQSZACIVSA-N 2 2 218.344 2.261 40 0 BEABLP CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000034963061 170150507 /nfs/dbraw/zinc/15/05/07/170150507.db2.gz GPRPWGYOLRHPLE-CQSZACIVSA-N 2 2 218.344 2.261 40 0 BEABLP CC[C@H](C)[C@@H]([NH3+])C[N@H+](CC)Cc1ccncc1 ZINC000042516908 171372865 /nfs/dbraw/zinc/37/28/65/171372865.db2.gz RXTNZCKMPYFWTC-JSGCOSHPSA-N 2 2 235.375 2.277 40 0 BEABLP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](CC)Cc1ccncc1 ZINC000042516908 171372866 /nfs/dbraw/zinc/37/28/66/171372866.db2.gz RXTNZCKMPYFWTC-JSGCOSHPSA-N 2 2 235.375 2.277 40 0 BEABLP C[NH+]1CCC(c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000072386556 173001990 /nfs/dbraw/zinc/00/19/90/173001990.db2.gz ADFAFTUKFKYXKA-UHFFFAOYSA-N 2 2 242.326 2.077 40 0 BEABLP C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037241928 173322541 /nfs/dbraw/zinc/32/25/41/173322541.db2.gz SODYUCNWDQJUMV-UHFFFAOYSA-N 2 2 222.307 2.010 40 0 BEABLP C[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037241451 173322883 /nfs/dbraw/zinc/32/28/83/173322883.db2.gz AOGGVQIVKJEWEM-UHFFFAOYSA-N 2 2 222.307 2.010 40 0 BEABLP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000033961910 173378098 /nfs/dbraw/zinc/37/80/98/173378098.db2.gz OMJZRIGOKXUQEC-CQSZACIVSA-N 2 2 218.344 2.261 40 0 BEABLP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000033961910 173378100 /nfs/dbraw/zinc/37/81/00/173378100.db2.gz OMJZRIGOKXUQEC-CQSZACIVSA-N 2 2 218.344 2.261 40 0 BEABLP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000010314060 175264452 /nfs/dbraw/zinc/26/44/52/175264452.db2.gz IYPOMTFEIXLCLK-UHFFFAOYSA-N 2 2 245.326 2.072 40 0 BEABLP Cc1cc([C@@H]2CCC[N@@H+]2CC[NH3+])sc1C ZINC000022763076 178240716 /nfs/dbraw/zinc/24/07/16/178240716.db2.gz WANDVQYSFFJOEI-NSHDSACASA-N 2 2 224.373 2.461 40 0 BEABLP Cc1cc([C@@H]2CCC[N@H+]2CC[NH3+])sc1C ZINC000022763076 178240718 /nfs/dbraw/zinc/24/07/18/178240718.db2.gz WANDVQYSFFJOEI-NSHDSACASA-N 2 2 224.373 2.461 40 0 BEABLP Cc1cc([C@H]2CCC[N@@H+]2CC[NH3+])sc1C ZINC000022763080 178267074 /nfs/dbraw/zinc/26/70/74/178267074.db2.gz WANDVQYSFFJOEI-LLVKDONJSA-N 2 2 224.373 2.461 40 0 BEABLP Cc1cc([C@H]2CCC[N@H+]2CC[NH3+])sc1C ZINC000022763080 178267075 /nfs/dbraw/zinc/26/70/75/178267075.db2.gz WANDVQYSFFJOEI-LLVKDONJSA-N 2 2 224.373 2.461 40 0 BEABLP C[C@H](C[NH2+]Cc1ccccc1)[NH+]1CCCC1 ZINC000022073568 343039622 /nfs/dbraw/zinc/03/96/22/343039622.db2.gz XFAFMLBPIGURDY-CYBMUJFWSA-N 2 2 218.344 2.261 40 0 BEABLP CCCC[C@H](CC)C[N@@H+]1CCC[NH2+]CC1 ZINC000043454335 343472749 /nfs/dbraw/zinc/47/27/49/343472749.db2.gz AJNBJXDYOHWIEI-ZDUSSCGKSA-N 2 2 212.381 2.498 40 0 BEABLP CCCC[C@H](CC)C[N@H+]1CCC[NH2+]CC1 ZINC000043454335 343472753 /nfs/dbraw/zinc/47/27/53/343472753.db2.gz AJNBJXDYOHWIEI-ZDUSSCGKSA-N 2 2 212.381 2.498 40 0 BEABLP C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC000585656370 345469045 /nfs/dbraw/zinc/46/90/45/345469045.db2.gz NGNQCJGKLHCSKU-IACUBPJLSA-N 2 2 216.328 2.041 40 0 BEABLP C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC000585656370 345469047 /nfs/dbraw/zinc/46/90/47/345469047.db2.gz NGNQCJGKLHCSKU-IACUBPJLSA-N 2 2 216.328 2.041 40 0 BEABLP Cc1ccc[nH+]c1C[C@H]1CC[C@H]([NH3+])CC1 ZINC000257301052 179387556 /nfs/dbraw/zinc/38/75/56/179387556.db2.gz RWUSSXRFIPQSFC-HAQNSBGRSA-N 2 2 204.317 2.450 40 0 BEABLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000038539896 348705250 /nfs/dbraw/zinc/70/52/50/348705250.db2.gz UICPTCGPPWEBMI-ZDUSSCGKSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000038539896 348705253 /nfs/dbraw/zinc/70/52/53/348705253.db2.gz UICPTCGPPWEBMI-ZDUSSCGKSA-N 2 2 222.307 2.057 40 0 BEABLP CCOc1ccccc1[C@H](C[NH3+])[NH+]1CCCC1 ZINC000038827625 349262561 /nfs/dbraw/zinc/26/25/61/349262561.db2.gz UULLOOXUMWEQLK-ZDUSSCGKSA-N 2 2 234.343 2.181 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccncc3)C2)[nH+]1 ZINC000205694731 368358738 /nfs/dbraw/zinc/35/87/38/368358738.db2.gz ZDDBLBDIIDRJRV-CYBMUJFWSA-N 2 2 242.326 2.103 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccncc3)C2)[nH+]1 ZINC000205694731 368358741 /nfs/dbraw/zinc/35/87/41/368358741.db2.gz ZDDBLBDIIDRJRV-CYBMUJFWSA-N 2 2 242.326 2.103 40 0 BEABLP c1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000079437978 183396492 /nfs/dbraw/zinc/39/64/92/183396492.db2.gz FBLJWEZDOUIJOT-AWEZNQCLSA-N 2 2 216.328 2.013 40 0 BEABLP c1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000079437978 183396494 /nfs/dbraw/zinc/39/64/94/183396494.db2.gz FBLJWEZDOUIJOT-AWEZNQCLSA-N 2 2 216.328 2.013 40 0 BEABLP c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000079437981 183397690 /nfs/dbraw/zinc/39/76/90/183397690.db2.gz AXIKROJKPGHWDS-AWEZNQCLSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000079437981 183397692 /nfs/dbraw/zinc/39/76/92/183397692.db2.gz AXIKROJKPGHWDS-AWEZNQCLSA-N 2 2 230.355 2.403 40 0 BEABLP CC[N@H+](CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000041160372 383904384 /nfs/dbraw/zinc/90/43/84/383904384.db2.gz IOSUHEZDNUMYDA-UHFFFAOYSA-N 2 2 246.276 2.486 40 0 BEABLP CC[N@@H+](CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000041160372 383904395 /nfs/dbraw/zinc/90/43/95/383904395.db2.gz IOSUHEZDNUMYDA-UHFFFAOYSA-N 2 2 246.276 2.486 40 0 BEABLP CC[NH+](CC)c1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000062494917 384781354 /nfs/dbraw/zinc/78/13/54/384781354.db2.gz GVMVJVUMXASALG-QWHCGFSZSA-N 2 2 204.317 2.347 40 0 BEABLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1F ZINC000096320095 384914935 /nfs/dbraw/zinc/91/49/35/384914935.db2.gz YSUGNFZYKJKBSM-ZDUSSCGKSA-N 2 2 236.334 2.447 40 0 BEABLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1F ZINC000096320095 384914940 /nfs/dbraw/zinc/91/49/40/384914940.db2.gz YSUGNFZYKJKBSM-ZDUSSCGKSA-N 2 2 236.334 2.447 40 0 BEABLP [NH3+][C@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000096523537 385266722 /nfs/dbraw/zinc/26/67/22/385266722.db2.gz RMBALCNGKRXBAM-ZDUSSCGKSA-N 2 2 241.338 2.158 40 0 BEABLP [NH3+][C@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000096523537 385266727 /nfs/dbraw/zinc/26/67/27/385266727.db2.gz RMBALCNGKRXBAM-ZDUSSCGKSA-N 2 2 241.338 2.158 40 0 BEABLP Cc1c[nH]c([C@H]2CCC[N@@H+](C3CCOCC3)C2)[nH+]1 ZINC000257207741 385752669 /nfs/dbraw/zinc/75/26/69/385752669.db2.gz BJAJGLCQKUNPEY-LBPRGKRZSA-N 2 2 249.358 2.077 40 0 BEABLP Cc1c[nH]c([C@H]2CCC[N@H+](C3CCOCC3)C2)[nH+]1 ZINC000257207741 385752674 /nfs/dbraw/zinc/75/26/74/385752674.db2.gz BJAJGLCQKUNPEY-LBPRGKRZSA-N 2 2 249.358 2.077 40 0 BEABLP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000072411144 410028002 /nfs/dbraw/zinc/02/80/02/410028002.db2.gz BSEBPYRQKRQSIO-OLZOCXBDSA-N 2 2 222.307 2.185 40 0 BEABLP C[C@H](c1ccc(F)cc1)[N@H+](CC[NH3+])C1CC1 ZINC000079421288 177033862 /nfs/dbraw/zinc/03/38/62/177033862.db2.gz HYZGUTPQKMUOHQ-SNVBAGLBSA-N 2 2 222.307 2.310 40 0 BEABLP C[C@H](c1ccc(F)cc1)[N@@H+](CC[NH3+])C1CC1 ZINC000079421288 177033865 /nfs/dbraw/zinc/03/38/65/177033865.db2.gz HYZGUTPQKMUOHQ-SNVBAGLBSA-N 2 2 222.307 2.310 40 0 BEABLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539804 178084757 /nfs/dbraw/zinc/08/47/57/178084757.db2.gz XIMFMHZBZINZPV-CYBMUJFWSA-N 2 2 222.307 2.057 40 0 BEABLP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000038539804 178084758 /nfs/dbraw/zinc/08/47/58/178084758.db2.gz XIMFMHZBZINZPV-CYBMUJFWSA-N 2 2 222.307 2.057 40 0 BEABLP CCOc1ccccc1[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000038827624 350323753 /nfs/dbraw/zinc/32/37/53/350323753.db2.gz UULLOOXUMWEQLK-CYBMUJFWSA-N 2 2 234.343 2.181 40 0 BEABLP Cc1cc(-n2cc[nH+]c2)cc(C2CC[NH2+]CC2)[nH+]1 ZINC000205694372 369997753 /nfs/dbraw/zinc/99/77/53/369997753.db2.gz ZRRUKPCGLNGMFI-UHFFFAOYSA-N 3 2 242.326 2.043 40 0 BEABLP CCC[N@@H+](Cc1ccco1)C[C@H]([NH3+])C(C)C ZINC000096523743 169178566 /nfs/dbraw/zinc/17/85/66/169178566.db2.gz GDLQTOPFBLUJDY-ZDUSSCGKSA-N 2 2 224.348 2.475 40 0 BEABLP CCC[N@H+](Cc1ccco1)C[C@H]([NH3+])C(C)C ZINC000096523743 169178567 /nfs/dbraw/zinc/17/85/67/169178567.db2.gz GDLQTOPFBLUJDY-ZDUSSCGKSA-N 2 2 224.348 2.475 40 0 BEABLP c1cc2c(s1)CC[NH2+][C@@H]2COc1cc[nH+]cc1 ZINC000096526597 183358217 /nfs/dbraw/zinc/35/82/17/183358217.db2.gz LVYYJCCSTILEBP-GFCCVEGCSA-N 2 2 246.335 2.409 40 0 BEABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072344156 384207585 /nfs/dbraw/zinc/20/75/85/384207585.db2.gz ZITNPSJKKCBAJO-LLVKDONJSA-N 2 2 242.326 2.254 40 0 BEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072344155 384208563 /nfs/dbraw/zinc/20/85/63/384208563.db2.gz ZITNPSJKKCBAJO-NSHDSACASA-N 2 2 242.326 2.254 40 0 BEABLP C[C@](C[NH3+])(c1cccs1)[NH+]1CCCCC1 ZINC000070453218 384563190 /nfs/dbraw/zinc/56/31/90/384563190.db2.gz LTHWKBJZIGQDIN-LBPRGKRZSA-N 2 2 224.373 2.408 40 0 BEABLP c1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000082346686 384672629 /nfs/dbraw/zinc/67/26/29/384672629.db2.gz UCKQWPTZJAOXHJ-HNNXBMFYSA-N 2 2 230.355 2.405 40 0 BEABLP c1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000082346686 384672635 /nfs/dbraw/zinc/67/26/35/384672635.db2.gz UCKQWPTZJAOXHJ-HNNXBMFYSA-N 2 2 230.355 2.405 40 0 BEABLP [NH3+][C@@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000096523538 385267535 /nfs/dbraw/zinc/26/75/35/385267535.db2.gz RMBALCNGKRXBAM-CYBMUJFWSA-N 2 2 241.338 2.158 40 0 BEABLP [NH3+][C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000096523538 385267542 /nfs/dbraw/zinc/26/75/42/385267542.db2.gz RMBALCNGKRXBAM-CYBMUJFWSA-N 2 2 241.338 2.158 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC000096523596 385268515 /nfs/dbraw/zinc/26/85/15/385268515.db2.gz NLLVJKVMPNGXEI-CYBMUJFWSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1ccccc1F ZINC000096523596 385268522 /nfs/dbraw/zinc/26/85/22/385268522.db2.gz NLLVJKVMPNGXEI-CYBMUJFWSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1ccc(F)cc1 ZINC000096523599 385269310 /nfs/dbraw/zinc/26/93/10/385269310.db2.gz RWAPTHDGEHBIDG-AWEZNQCLSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1ccc(F)cc1 ZINC000096523599 385269313 /nfs/dbraw/zinc/26/93/13/385269313.db2.gz RWAPTHDGEHBIDG-AWEZNQCLSA-N 2 2 236.334 2.181 40 0 BEABLP C[C@@H]([NH3+])C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000096523885 385272884 /nfs/dbraw/zinc/27/28/84/385272884.db2.gz FILVYYGZXTXEBE-GFCCVEGCSA-N 2 2 216.328 2.123 40 0 BEABLP C[C@@H]([NH3+])C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000096523885 385272889 /nfs/dbraw/zinc/27/28/89/385272889.db2.gz FILVYYGZXTXEBE-GFCCVEGCSA-N 2 2 216.328 2.123 40 0 BEABLP C[C@]12CCC[NH2+][C@@H]1CCC[N@@H+]2Cc1ccccn1 ZINC000257224375 385755874 /nfs/dbraw/zinc/75/58/74/385755874.db2.gz FBOLOFBWKTVUDZ-CABCVRRESA-N 2 2 245.370 2.188 40 0 BEABLP C[C@]12CCC[NH2+][C@@H]1CCC[N@H+]2Cc1ccccn1 ZINC000257224375 385755879 /nfs/dbraw/zinc/75/58/79/385755879.db2.gz FBOLOFBWKTVUDZ-CABCVRRESA-N 2 2 245.370 2.188 40 0 BEABLP CC[NH+](CC)[C@H](C[NH3+])c1ccccc1C ZINC000038827558 386141520 /nfs/dbraw/zinc/14/15/20/386141520.db2.gz OWQIRLVOUXXGRO-CYBMUJFWSA-N 2 2 206.333 2.337 40 0 BEABLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000053201459 387534507 /nfs/dbraw/zinc/53/45/07/387534507.db2.gz GXRWMVQGGSPFGP-CQSZACIVSA-N 2 2 218.344 2.179 40 0 BEABLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000053201459 387534512 /nfs/dbraw/zinc/53/45/12/387534512.db2.gz GXRWMVQGGSPFGP-CQSZACIVSA-N 2 2 218.344 2.179 40 0 BEABLP Cc1ccc(F)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC000067801077 387854565 /nfs/dbraw/zinc/85/45/65/387854565.db2.gz KTTSLHOFBRFFNO-UHFFFAOYSA-N 2 2 222.307 2.057 40 0 BEABLP Clc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000095067827 388590932 /nfs/dbraw/zinc/59/09/32/388590932.db2.gz GJTBBSQMEDUCHK-GFCCVEGCSA-N 2 2 224.735 2.182 40 0 BEABLP Cc1ccc([C@@H](C)O[C@@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000252488753 388653293 /nfs/dbraw/zinc/65/32/93/388653293.db2.gz IXXRNOQIHCRCST-VXGBXAGGSA-N 2 2 220.316 2.138 40 0 BEABLP [NH3+]CCc1c[nH+]c(Cc2ccc(Cl)cc2)[nH]1 ZINC000062716577 388655039 /nfs/dbraw/zinc/65/50/39/388655039.db2.gz HETONVQZNWUVKB-UHFFFAOYSA-N 2 2 235.718 2.155 40 0 BEABLP [NH3+]CCc1c[nH]c(Cc2ccc(Cl)cc2)[nH+]1 ZINC000062716577 388655041 /nfs/dbraw/zinc/65/50/41/388655041.db2.gz HETONVQZNWUVKB-UHFFFAOYSA-N 2 2 235.718 2.155 40 0 BEABLP C[N@@H+]1CCCC[C@H]1c1ccc(-n2cc[nH+]c2)nc1 ZINC000072386560 173010090 /nfs/dbraw/zinc/01/00/90/173010090.db2.gz RGXXBCYZOKBQQT-ZDUSSCGKSA-N 2 2 242.326 2.424 40 0 BEABLP C[N@H+]1CCCC[C@H]1c1ccc(-n2cc[nH+]c2)nc1 ZINC000072386560 173010091 /nfs/dbraw/zinc/01/00/91/173010091.db2.gz RGXXBCYZOKBQQT-ZDUSSCGKSA-N 2 2 242.326 2.424 40 0 BEABLP COc1cccc(CC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000096523574 175251558 /nfs/dbraw/zinc/25/15/58/175251558.db2.gz XQADNWWCRYWHHG-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP COc1cccc(CC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000096523574 175251559 /nfs/dbraw/zinc/25/15/59/175251559.db2.gz XQADNWWCRYWHHG-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP COc1ccccc1CCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000096523531 175322451 /nfs/dbraw/zinc/32/24/51/175322451.db2.gz BNYALFWKUZBGAV-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP COc1ccccc1CCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000096523531 175322453 /nfs/dbraw/zinc/32/24/53/175322453.db2.gz BNYALFWKUZBGAV-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP COc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000096523532 175322655 /nfs/dbraw/zinc/32/26/55/175322655.db2.gz BNYALFWKUZBGAV-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP COc1ccccc1CCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000096523532 175322656 /nfs/dbraw/zinc/32/26/56/175322656.db2.gz BNYALFWKUZBGAV-CQSZACIVSA-N 2 2 248.370 2.051 40 0 BEABLP COc1ccccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044421392 175326015 /nfs/dbraw/zinc/32/60/15/175326015.db2.gz VZEUTLYGXODXCP-CYBMUJFWSA-N 2 2 234.343 2.008 40 0 BEABLP COc1ccccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044421392 175326016 /nfs/dbraw/zinc/32/60/16/175326016.db2.gz VZEUTLYGXODXCP-CYBMUJFWSA-N 2 2 234.343 2.008 40 0 BEABLP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000043501379 342795717 /nfs/dbraw/zinc/79/57/17/342795717.db2.gz PNBAOBFIECCROI-CQSZACIVSA-N 2 2 218.344 2.179 40 0 BEABLP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000043501379 342795719 /nfs/dbraw/zinc/79/57/19/342795719.db2.gz PNBAOBFIECCROI-CQSZACIVSA-N 2 2 218.344 2.179 40 0 BEABLP CCCC[C@@H](CC)C[N@@H+]1CCC[NH2+]CC1 ZINC000043454333 343472957 /nfs/dbraw/zinc/47/29/57/343472957.db2.gz AJNBJXDYOHWIEI-CYBMUJFWSA-N 2 2 212.381 2.498 40 0 BEABLP CCCC[C@@H](CC)C[N@H+]1CCC[NH2+]CC1 ZINC000043454333 343472958 /nfs/dbraw/zinc/47/29/58/343472958.db2.gz AJNBJXDYOHWIEI-CYBMUJFWSA-N 2 2 212.381 2.498 40 0 BEABLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000096523472 343758487 /nfs/dbraw/zinc/75/84/87/343758487.db2.gz SWRQGQGIWAEEFM-CQSZACIVSA-N 2 2 248.370 2.399 40 0 BEABLP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000096523472 343758490 /nfs/dbraw/zinc/75/84/90/343758490.db2.gz SWRQGQGIWAEEFM-CQSZACIVSA-N 2 2 248.370 2.399 40 0 BEABLP COc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038827600 350324276 /nfs/dbraw/zinc/32/42/76/350324276.db2.gz JQNIKZXOVAYJTM-WFASDCNBSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038827600 350324280 /nfs/dbraw/zinc/32/42/80/350324280.db2.gz JQNIKZXOVAYJTM-WFASDCNBSA-N 2 2 248.370 2.427 40 0 BEABLP Cc1ccccc1[C@@H](C[NH3+])[NH+]1CCCCC1 ZINC000038827601 188117615 /nfs/dbraw/zinc/11/76/15/188117615.db2.gz VLNKNMJEGZNBOP-CQSZACIVSA-N 2 2 218.344 2.481 40 0 BEABLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000019843373 354929605 /nfs/dbraw/zinc/92/96/05/354929605.db2.gz JREOTEGZCVNMIX-CQSZACIVSA-N 2 2 218.344 2.308 40 0 BEABLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000019843373 354929612 /nfs/dbraw/zinc/92/96/12/354929612.db2.gz JREOTEGZCVNMIX-CQSZACIVSA-N 2 2 218.344 2.308 40 0 BEABLP [NH3+]CC[N@H+](Cc1nccc2ccccc21)C1CC1 ZINC000079422058 181390745 /nfs/dbraw/zinc/39/07/45/181390745.db2.gz PFVJRNMILREGIB-UHFFFAOYSA-N 2 2 241.338 2.158 40 0 BEABLP [NH3+]CC[N@@H+](Cc1nccc2ccccc21)C1CC1 ZINC000079422058 181390746 /nfs/dbraw/zinc/39/07/46/181390746.db2.gz PFVJRNMILREGIB-UHFFFAOYSA-N 2 2 241.338 2.158 40 0 BEABLP CC1(C)C[C@H]([NH3+])c2cc3[nH]c[nH+]c3cc21 ZINC000057347033 369392446 /nfs/dbraw/zinc/39/24/46/369392446.db2.gz IWWKLSDLLRWYGC-VIFPVBQESA-N 2 2 201.273 2.244 40 0 BEABLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000034973310 383820791 /nfs/dbraw/zinc/82/07/91/383820791.db2.gz HTTXVNRPINIIHA-AWEZNQCLSA-N 2 2 216.328 2.013 40 0 BEABLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000034973310 383820796 /nfs/dbraw/zinc/82/07/96/383820796.db2.gz HTTXVNRPINIIHA-AWEZNQCLSA-N 2 2 216.328 2.013 40 0 BEABLP Cc1ccsc1C[N@@H+](CC[NH3+])C(C)C ZINC000079436121 384147145 /nfs/dbraw/zinc/14/71/45/384147145.db2.gz QBHCIOXWKGNOIV-UHFFFAOYSA-N 2 2 212.362 2.226 40 0 BEABLP Cc1ccsc1C[N@H+](CC[NH3+])C(C)C ZINC000079436121 384147148 /nfs/dbraw/zinc/14/71/48/384147148.db2.gz QBHCIOXWKGNOIV-UHFFFAOYSA-N 2 2 212.362 2.226 40 0 BEABLP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000082346684 384672179 /nfs/dbraw/zinc/67/21/79/384672179.db2.gz UCKQWPTZJAOXHJ-OAHLLOKOSA-N 2 2 230.355 2.405 40 0 BEABLP c1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000082346684 384672183 /nfs/dbraw/zinc/67/21/83/384672183.db2.gz UCKQWPTZJAOXHJ-OAHLLOKOSA-N 2 2 230.355 2.405 40 0 BEABLP CC[NH+](CC)c1ccc([C@H]2C[C@@H]2[NH3+])cc1 ZINC000062494916 384780891 /nfs/dbraw/zinc/78/08/91/384780891.db2.gz GVMVJVUMXASALG-OLZOCXBDSA-N 2 2 204.317 2.347 40 0 BEABLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CO2)C1 ZINC000096510525 385249910 /nfs/dbraw/zinc/24/99/10/385249910.db2.gz DZALLZYRMODTAK-CHWSQXEVSA-N 2 2 249.358 2.042 40 0 BEABLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510525 385249918 /nfs/dbraw/zinc/24/99/18/385249918.db2.gz DZALLZYRMODTAK-CHWSQXEVSA-N 2 2 249.358 2.042 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1cccc(F)c1 ZINC000096523595 385266889 /nfs/dbraw/zinc/26/68/89/385266889.db2.gz TWHDMAONWCCENB-AWEZNQCLSA-N 2 2 236.334 2.181 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1cccc(F)c1 ZINC000096523595 385266896 /nfs/dbraw/zinc/26/68/96/385266896.db2.gz TWHDMAONWCCENB-AWEZNQCLSA-N 2 2 236.334 2.181 40 0 BEABLP C[N@H+](CCc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC000088195073 386893443 /nfs/dbraw/zinc/89/34/43/386893443.db2.gz CTLXLONAXQHHEF-OAHLLOKOSA-N 2 2 232.371 2.303 40 0 BEABLP C[N@@H+](CCc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC000088195073 386893446 /nfs/dbraw/zinc/89/34/46/386893446.db2.gz CTLXLONAXQHHEF-OAHLLOKOSA-N 2 2 232.371 2.303 40 0 BEABLP C[NH2+][C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000050269855 387954204 /nfs/dbraw/zinc/95/42/04/387954204.db2.gz ZNSDEAVRHBLAGK-SECBINFHSA-N 2 2 219.115 2.213 40 0 BEABLP CC(C)c1ccc([C@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000242649266 388400160 /nfs/dbraw/zinc/40/01/60/388400160.db2.gz RZAQKRLKXBQPIV-ZIAGYGMSSA-N 2 2 218.344 2.166 40 0 BEABLP CC(C)c1ccc([C@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000242649266 388400161 /nfs/dbraw/zinc/40/01/61/388400161.db2.gz RZAQKRLKXBQPIV-ZIAGYGMSSA-N 2 2 218.344 2.166 40 0 BEABLP Cc1ccc([C@@H](C)O[C@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000252488750 388653401 /nfs/dbraw/zinc/65/34/01/388653401.db2.gz IXXRNOQIHCRCST-NEPJUHHUSA-N 2 2 220.316 2.138 40 0 BEABLP Fc1cccc(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC000067802675 388702189 /nfs/dbraw/zinc/70/21/89/388702189.db2.gz WALGHMVURHKQOH-UHFFFAOYSA-N 2 2 242.725 2.321 40 0 BEABLP C[N@@H+]1C[C@H]([NH3+])[C@@H](c2cccc3ccccc32)C1 ZINC000225606817 388839809 /nfs/dbraw/zinc/83/98/09/388839809.db2.gz ZFXMGGNUDJFQJW-CABCVRRESA-N 2 2 226.323 2.196 40 0 BEABLP C[N@H+]1C[C@H]([NH3+])[C@@H](c2cccc3ccccc32)C1 ZINC000225606817 388839813 /nfs/dbraw/zinc/83/98/13/388839813.db2.gz ZFXMGGNUDJFQJW-CABCVRRESA-N 2 2 226.323 2.196 40 0 BEABLP Cc1[nH+]c(N2CC[NH2+]CC2)c2ccccc2c1C ZINC000225747948 526969582 /nfs/dbraw/zinc/96/95/82/526969582.db2.gz ALUAQVQXKDRLRA-UHFFFAOYSA-N 2 2 241.338 2.261 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1ccsc1 ZINC000069764953 259313187 /nfs/dbraw/zinc/31/31/87/259313187.db2.gz QTAZYVFVJVAXCV-LBPRGKRZSA-N 2 2 224.373 2.104 40 0 BEABLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1ccsc1 ZINC000069764953 259313189 /nfs/dbraw/zinc/31/31/89/259313189.db2.gz QTAZYVFVJVAXCV-LBPRGKRZSA-N 2 2 224.373 2.104 40 0 BEABLP CC[C@@H](C)[C@@H]([NH3+])C[N@H+](CC)Cc1ccncc1 ZINC000042516907 342778114 /nfs/dbraw/zinc/77/81/14/342778114.db2.gz RXTNZCKMPYFWTC-OCCSQVGLSA-N 2 2 235.375 2.277 40 0 BEABLP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](CC)Cc1ccncc1 ZINC000042516907 342778115 /nfs/dbraw/zinc/77/81/15/342778115.db2.gz RXTNZCKMPYFWTC-OCCSQVGLSA-N 2 2 235.375 2.277 40 0 BEABLP CC(C)(C[NH3+])[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000242495593 398317549 /nfs/dbraw/zinc/31/75/49/398317549.db2.gz GKKSBTARADZFRW-ZDUSSCGKSA-N 2 2 233.359 2.346 40 0 BEABLP CC(C)(C[NH3+])[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000242495593 398317550 /nfs/dbraw/zinc/31/75/50/398317550.db2.gz GKKSBTARADZFRW-ZDUSSCGKSA-N 2 2 233.359 2.346 40 0 BEABLP Cc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1 ZINC000032011647 343291144 /nfs/dbraw/zinc/29/11/44/343291144.db2.gz GKDJTEZCXJQMRK-UHFFFAOYSA-N 2 2 206.333 2.164 40 0 BEABLP Cc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1 ZINC000032011647 343291146 /nfs/dbraw/zinc/29/11/46/343291146.db2.gz GKDJTEZCXJQMRK-UHFFFAOYSA-N 2 2 206.333 2.164 40 0 BEABLP CC(C)(C)c1c[nH]c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000036876493 347958478 /nfs/dbraw/zinc/95/84/78/347958478.db2.gz XHHAAZCVMGMFLR-SECBINFHSA-N 2 2 207.321 2.174 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000205688638 348575482 /nfs/dbraw/zinc/57/54/82/348575482.db2.gz FJJJJDCTLXNOIO-CYBMUJFWSA-N 2 2 242.326 2.103 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000205688638 348575483 /nfs/dbraw/zinc/57/54/83/348575483.db2.gz FJJJJDCTLXNOIO-CYBMUJFWSA-N 2 2 242.326 2.103 40 0 BEABLP CCOc1ccccc1[C@@H](C[NH3+])[NH+](CC)CC ZINC000038827633 349262580 /nfs/dbraw/zinc/26/25/80/349262580.db2.gz HDEUOENKCSHZMT-CYBMUJFWSA-N 2 2 236.359 2.427 40 0 BEABLP Cc1[nH+]c2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC000035570805 180102523 /nfs/dbraw/zinc/10/25/23/180102523.db2.gz DUKNGBYLXZMJCK-NSHDSACASA-N 2 2 215.300 2.269 40 0 BEABLP CCC[N@H+](C[C@H]([NH3+])CCSC)CC1CC1 ZINC000096523872 169137811 /nfs/dbraw/zinc/13/78/11/169137811.db2.gz MYZVIZJQPVCMOH-GFCCVEGCSA-N 2 2 230.421 2.189 40 0 BEABLP CCC[N@@H+](C[C@H]([NH3+])CCSC)CC1CC1 ZINC000096523872 169137814 /nfs/dbraw/zinc/13/78/14/169137814.db2.gz MYZVIZJQPVCMOH-GFCCVEGCSA-N 2 2 230.421 2.189 40 0 BEABLP CC[N@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000039318904 383901353 /nfs/dbraw/zinc/90/13/53/383901353.db2.gz CEGPYWJJEVYOQS-UHFFFAOYSA-N 2 2 212.724 2.121 40 0 BEABLP CC[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000039318904 383901358 /nfs/dbraw/zinc/90/13/58/383901358.db2.gz CEGPYWJJEVYOQS-UHFFFAOYSA-N 2 2 212.724 2.121 40 0 BEABLP C[C@@](C[NH3+])(c1cccs1)[NH+]1CCCCC1 ZINC000070453217 384563897 /nfs/dbraw/zinc/56/38/97/384563897.db2.gz LTHWKBJZIGQDIN-GFCCVEGCSA-N 2 2 224.373 2.408 40 0 BEABLP CCCC[N@@H+](Cc1ccco1)C[C@@H](C)[NH3+] ZINC000096523894 385270622 /nfs/dbraw/zinc/27/06/22/385270622.db2.gz UVMJFMOOCSKQQI-LLVKDONJSA-N 2 2 210.321 2.229 40 0 BEABLP CCCC[N@H+](Cc1ccco1)C[C@@H](C)[NH3+] ZINC000096523894 385270625 /nfs/dbraw/zinc/27/06/25/385270625.db2.gz UVMJFMOOCSKQQI-LLVKDONJSA-N 2 2 210.321 2.229 40 0 BEABLP CC[NH+](CC)[C@H](C[NH3+])c1cccc(F)c1 ZINC000022172301 385685555 /nfs/dbraw/zinc/68/55/55/385685555.db2.gz RSVDJBPUBHVGLL-GFCCVEGCSA-N 2 2 210.296 2.167 40 0 BEABLP CCc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000038539494 385667730 /nfs/dbraw/zinc/66/77/30/385667730.db2.gz DDTJKIYABAGRFL-AWEZNQCLSA-N 2 2 218.344 2.172 40 0 BEABLP CCc1ccccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000038539494 385667735 /nfs/dbraw/zinc/66/77/35/385667735.db2.gz DDTJKIYABAGRFL-AWEZNQCLSA-N 2 2 218.344 2.172 40 0 BEABLP Cc1c[nH]c([C@H]2CCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000257276713 385757229 /nfs/dbraw/zinc/75/72/29/385757229.db2.gz NUVRAZTWFRGQGM-NSHDSACASA-N 2 2 228.299 2.107 40 0 BEABLP CC[NH+](CC)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000038860265 386139043 /nfs/dbraw/zinc/13/90/43/386139043.db2.gz PYCOBKDXVRLWGL-ZDUSSCGKSA-N 2 2 206.333 2.337 40 0 BEABLP C[N@@H+]1C[C@H]([NH3+])[C@H](c2cccc3ccccc32)C1 ZINC000217661804 387979434 /nfs/dbraw/zinc/97/94/34/387979434.db2.gz ZFXMGGNUDJFQJW-GJZGRUSLSA-N 2 2 226.323 2.196 40 0 BEABLP C[N@H+]1C[C@H]([NH3+])[C@H](c2cccc3ccccc32)C1 ZINC000217661804 387979436 /nfs/dbraw/zinc/97/94/36/387979436.db2.gz ZFXMGGNUDJFQJW-GJZGRUSLSA-N 2 2 226.323 2.196 40 0 BEABLP C[N@@H+]1CC[C@H]([NH3+])c2cc(Cl)ccc2C1 ZINC000096509720 173148800 /nfs/dbraw/zinc/14/88/00/173148800.db2.gz XIFVNCLCMYZZAH-NSHDSACASA-N 2 2 210.708 2.175 40 0 BEABLP C[N@H+]1CC[C@H]([NH3+])c2cc(Cl)ccc2C1 ZINC000096509720 173148801 /nfs/dbraw/zinc/14/88/01/173148801.db2.gz XIFVNCLCMYZZAH-NSHDSACASA-N 2 2 210.708 2.175 40 0 BEABLP C[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000019366968 173354553 /nfs/dbraw/zinc/35/45/53/173354553.db2.gz OVCOWLKXRNBYMI-UHFFFAOYSA-N 2 2 232.371 2.161 40 0 BEABLP COc1cccc2c(NCCC[NH3+])cc[nH+]c12 ZINC000212770039 175299833 /nfs/dbraw/zinc/29/98/33/175299833.db2.gz UZUOKJIPBRIFQY-UHFFFAOYSA-N 2 2 231.299 2.004 40 0 BEABLP COc1ccccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044421395 175326959 /nfs/dbraw/zinc/32/69/59/175326959.db2.gz VZEUTLYGXODXCP-ZDUSSCGKSA-N 2 2 234.343 2.008 40 0 BEABLP COc1ccccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044421395 175326960 /nfs/dbraw/zinc/32/69/60/175326960.db2.gz VZEUTLYGXODXCP-ZDUSSCGKSA-N 2 2 234.343 2.008 40 0 BEABLP Clc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000072202837 487994613 /nfs/dbraw/zinc/99/46/13/487994613.db2.gz PMTRXXSTDJNHED-GFCCVEGCSA-N 2 2 224.735 2.182 40 0 BEABLP Cc1cc(NCCC[NH3+])c2cccc(F)c2[nH+]1 ZINC000222686708 178159309 /nfs/dbraw/zinc/15/93/09/178159309.db2.gz DTTMPOKZEDHKQB-UHFFFAOYSA-N 2 2 233.290 2.443 40 0 BEABLP CCCn1c2ccccc2[nH+]c1CCC[NH3+] ZINC000019734032 347268876 /nfs/dbraw/zinc/26/88/76/347268876.db2.gz QDLJJUUTWNMMQL-UHFFFAOYSA-N 2 2 217.316 2.338 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000205688555 348575229 /nfs/dbraw/zinc/57/52/29/348575229.db2.gz APIZUUQHYNEIHX-JTQLQIEISA-N 2 2 248.355 2.164 40 0 BEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000205688555 348575232 /nfs/dbraw/zinc/57/52/32/348575232.db2.gz APIZUUQHYNEIHX-JTQLQIEISA-N 2 2 248.355 2.164 40 0 BEABLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH2+]C1 ZINC000043472083 180102960 /nfs/dbraw/zinc/10/29/60/180102960.db2.gz ZBFZJBXGSRCXMM-GFCCVEGCSA-N 2 2 229.327 2.344 40 0 BEABLP C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC000035080320 355797237 /nfs/dbraw/zinc/79/72/37/355797237.db2.gz NGNQCJGKLHCSKU-MRVWCRGKSA-N 2 2 216.328 2.041 40 0 BEABLP C[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC000035080320 355797241 /nfs/dbraw/zinc/79/72/41/355797241.db2.gz NGNQCJGKLHCSKU-MRVWCRGKSA-N 2 2 216.328 2.041 40 0 BEABLP [NH3+]CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000037712595 181398056 /nfs/dbraw/zinc/39/80/56/181398056.db2.gz WFHVJSSPKJFOOO-UHFFFAOYSA-N 2 2 219.115 2.042 40 0 BEABLP [NH3+]CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000222678486 181398452 /nfs/dbraw/zinc/39/84/52/181398452.db2.gz SBVKOEIOMRACDI-UHFFFAOYSA-N 2 2 221.691 2.259 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@H+](CC3CCC3)C2)[nH+]1 ZINC000205694292 368358508 /nfs/dbraw/zinc/35/85/08/368358508.db2.gz NOFZQQKCYJXRKW-GFCCVEGCSA-N 2 2 219.332 2.308 40 0 BEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CC3CCC3)C2)[nH+]1 ZINC000205694292 368358511 /nfs/dbraw/zinc/35/85/11/368358511.db2.gz NOFZQQKCYJXRKW-GFCCVEGCSA-N 2 2 219.332 2.308 40 0 BEABLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000053649317 183398595 /nfs/dbraw/zinc/39/85/95/183398595.db2.gz CDWNMFBKHYTWNM-HNNXBMFYSA-N 2 2 230.355 2.403 40 0 BEABLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000053649317 183398598 /nfs/dbraw/zinc/39/85/98/183398598.db2.gz CDWNMFBKHYTWNM-HNNXBMFYSA-N 2 2 230.355 2.403 40 0 BEABLP c1coc(C[NH2+]CCC[NH2+]Cc2ccco2)c1 ZINC000003851151 384032125 /nfs/dbraw/zinc/03/21/25/384032125.db2.gz YYPXZKMLNNLCDL-UHFFFAOYSA-N 2 2 234.299 2.142 40 0 BEABLP CC(C)[N@H+](CC[NH3+])Cc1nccc2ccccc21 ZINC000079422054 384141990 /nfs/dbraw/zinc/14/19/90/384141990.db2.gz YNCLBEYPBREQTH-UHFFFAOYSA-N 2 2 243.354 2.404 40 0 BEABLP CC(C)[N@@H+](CC[NH3+])Cc1nccc2ccccc21 ZINC000079422054 384141999 /nfs/dbraw/zinc/14/19/99/384141999.db2.gz YNCLBEYPBREQTH-UHFFFAOYSA-N 2 2 243.354 2.404 40 0 BEABLP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1Cl ZINC000072203643 385055959 /nfs/dbraw/zinc/05/59/59/385055959.db2.gz QQGBVEVFLBEWKI-SECBINFHSA-N 2 2 245.153 2.445 40 0 BEABLP c1ccc2c(c1)ccnc2C[N@@H+]1CCC[NH2+]CC1 ZINC000096523649 385267000 /nfs/dbraw/zinc/26/70/00/385267000.db2.gz ZQJGWJGZBCYIEC-UHFFFAOYSA-N 2 2 241.338 2.030 40 0 BEABLP c1ccc2c(c1)ccnc2C[N@H+]1CCC[NH2+]CC1 ZINC000096523649 385267006 /nfs/dbraw/zinc/26/70/06/385267006.db2.gz ZQJGWJGZBCYIEC-UHFFFAOYSA-N 2 2 241.338 2.030 40 0 BEABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](C3CCOCC3)C2)[nH+]1 ZINC000257207740 385753353 /nfs/dbraw/zinc/75/33/53/385753353.db2.gz BJAJGLCQKUNPEY-GFCCVEGCSA-N 2 2 249.358 2.077 40 0 BEABLP Cc1c[nH]c([C@@H]2CCC[N@H+](C3CCOCC3)C2)[nH+]1 ZINC000257207740 385753358 /nfs/dbraw/zinc/75/33/58/385753358.db2.gz BJAJGLCQKUNPEY-GFCCVEGCSA-N 2 2 249.358 2.077 40 0 BEABLP C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000053201458 387533502 /nfs/dbraw/zinc/53/35/02/387533502.db2.gz GXRWMVQGGSPFGP-AWEZNQCLSA-N 2 2 218.344 2.179 40 0 BEABLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000053201458 387533505 /nfs/dbraw/zinc/53/35/05/387533505.db2.gz GXRWMVQGGSPFGP-AWEZNQCLSA-N 2 2 218.344 2.179 40 0 BEABLP CC(C)c1ccc([C@@H]2C[N@H+](C)C[C@H]2[NH3+])cc1 ZINC000242649265 388400112 /nfs/dbraw/zinc/40/01/12/388400112.db2.gz RZAQKRLKXBQPIV-UONOGXRCSA-N 2 2 218.344 2.166 40 0 BEABLP CC(C)c1ccc([C@@H]2C[N@@H+](C)C[C@H]2[NH3+])cc1 ZINC000242649265 388400115 /nfs/dbraw/zinc/40/01/15/388400115.db2.gz RZAQKRLKXBQPIV-UONOGXRCSA-N 2 2 218.344 2.166 40 0 BEABLP C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000095067830 388591009 /nfs/dbraw/zinc/59/10/09/388591009.db2.gz LICYOHDZIKBDMV-ZDUSSCGKSA-N 2 2 222.307 2.010 40 0 BEABLP C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000095067830 388591011 /nfs/dbraw/zinc/59/10/11/388591011.db2.gz LICYOHDZIKBDMV-ZDUSSCGKSA-N 2 2 222.307 2.010 40 0 BEABLP Cc1ccc([C@H](C)O[C@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000252488752 388653374 /nfs/dbraw/zinc/65/33/74/388653374.db2.gz IXXRNOQIHCRCST-RYUDHWBXSA-N 2 2 220.316 2.138 40 0 BEABLP COc1ccc2ccccc2c1[C@H](C[NH3+])[NH+](C)C ZINC000037290090 397996155 /nfs/dbraw/zinc/99/61/55/397996155.db2.gz AHHQXKZTEKRYQB-ZDUSSCGKSA-N 2 2 244.338 2.410 40 0 BEABLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215217 173061277 /nfs/dbraw/zinc/06/12/77/173061277.db2.gz SKEBJGKZJGRVFH-AWEZNQCLSA-N 2 2 234.343 2.197 40 0 BEABLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215217 173061279 /nfs/dbraw/zinc/06/12/79/173061279.db2.gz SKEBJGKZJGRVFH-AWEZNQCLSA-N 2 2 234.343 2.197 40 0 BEABLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096215217 173061280 /nfs/dbraw/zinc/06/12/80/173061280.db2.gz SKEBJGKZJGRVFH-AWEZNQCLSA-N 2 2 234.343 2.197 40 0 BEABLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096215217 173061281 /nfs/dbraw/zinc/06/12/81/173061281.db2.gz SKEBJGKZJGRVFH-AWEZNQCLSA-N 2 2 234.343 2.197 40 0 BEABLP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000072202928 487995124 /nfs/dbraw/zinc/99/51/24/487995124.db2.gz XYNRULYVFXCODS-GFCCVEGCSA-N 2 2 224.735 2.182 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1ccsc1 ZINC000069764951 259313059 /nfs/dbraw/zinc/31/30/59/259313059.db2.gz QTAZYVFVJVAXCV-GFCCVEGCSA-N 2 2 224.373 2.104 40 0 BEABLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1ccsc1 ZINC000069764951 259313060 /nfs/dbraw/zinc/31/30/60/259313060.db2.gz QTAZYVFVJVAXCV-GFCCVEGCSA-N 2 2 224.373 2.104 40 0 BEABLP CC(C)(C[NH3+])[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000242495591 398317429 /nfs/dbraw/zinc/31/74/29/398317429.db2.gz GKKSBTARADZFRW-CYBMUJFWSA-N 2 2 233.359 2.346 40 0 BEABLP CC(C)(C[NH3+])[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000242495591 398317431 /nfs/dbraw/zinc/31/74/31/398317431.db2.gz GKKSBTARADZFRW-CYBMUJFWSA-N 2 2 233.359 2.346 40 0 BEABLP Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1C ZINC000038539510 179075528 /nfs/dbraw/zinc/07/55/28/179075528.db2.gz SRWAGDJGSVRRNX-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1C ZINC000038539510 179075529 /nfs/dbraw/zinc/07/55/29/179075529.db2.gz SRWAGDJGSVRRNX-AWEZNQCLSA-N 2 2 218.344 2.227 40 0 BEABLP Cc1ccc2[nH]c(CC3CC[NH2+]CC3)[nH+]c2c1 ZINC000015423956 347112355 /nfs/dbraw/zinc/11/23/55/347112355.db2.gz RCMPOZKCQBGFTC-UHFFFAOYSA-N 2 2 229.327 2.413 40 0 BEABLP Cc1ccc2[nH+]c(CC3CC[NH2+]CC3)[nH]c2c1 ZINC000015423956 347112361 /nfs/dbraw/zinc/11/23/61/347112361.db2.gz RCMPOZKCQBGFTC-UHFFFAOYSA-N 2 2 229.327 2.413 40 0 BEABLP [NH3+]CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000032014910 181390086 /nfs/dbraw/zinc/39/00/86/181390086.db2.gz VCHKXVRQPIRIAK-UHFFFAOYSA-N 2 2 224.735 2.263 40 0 BEABLP [NH3+]CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000032014910 181390087 /nfs/dbraw/zinc/39/00/87/181390087.db2.gz VCHKXVRQPIRIAK-UHFFFAOYSA-N 2 2 224.735 2.263 40 0 BEABLP Cc1cc[nH+]c(N(C)CC[NH+]2CCCCC2)c1 ZINC000001602384 383911323 /nfs/dbraw/zinc/91/13/23/383911323.db2.gz FTMMMZOCLMTVPM-UHFFFAOYSA-N 2 2 233.359 2.312 40 0 BEABLP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000079437953 384496395 /nfs/dbraw/zinc/49/63/95/384496395.db2.gz CPSVIPMHUOWCOQ-CQSZACIVSA-N 2 2 218.344 2.259 40 0 BEABLP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000079437953 384496397 /nfs/dbraw/zinc/49/63/97/384496397.db2.gz CPSVIPMHUOWCOQ-CQSZACIVSA-N 2 2 218.344 2.259 40 0 BEABLP C[C@](C[NH3+])(c1cccs1)[NH+]1CCCC1 ZINC000070453216 384563778 /nfs/dbraw/zinc/56/37/78/384563778.db2.gz MFDGROLEJWSDAG-NSHDSACASA-N 2 2 210.346 2.018 40 0 BEABLP C[NH+](C)CC[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000020273986 385514685 /nfs/dbraw/zinc/51/46/85/385514685.db2.gz BHCWWKIOLOCHRY-NSHDSACASA-N 2 2 212.724 2.292 40 0 BEABLP CC(C)(C)c1c[nH]c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000036876494 385588963 /nfs/dbraw/zinc/58/89/63/385588963.db2.gz XHHAAZCVMGMFLR-VIFPVBQESA-N 2 2 207.321 2.174 40 0 BEABLP Cc1c[nH+]c([C@H]2CCCN(c3cc[nH+]cc3)C2)[nH]1 ZINC000257293009 385761956 /nfs/dbraw/zinc/76/19/56/385761956.db2.gz QNUIBMQJISTPBG-LBPRGKRZSA-N 2 2 242.326 2.497 40 0 BEABLP c1cn(C2CC[NH2+]CC2)c(-c2ccccc2)[nH+]1 ZINC000043501221 385816760 /nfs/dbraw/zinc/81/67/60/385816760.db2.gz MQCFDCBQBNZUPP-UHFFFAOYSA-N 2 2 227.311 2.475 40 0 BEABLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000053201461 387534769 /nfs/dbraw/zinc/53/47/69/387534769.db2.gz HQLQBBYPEOLREE-CQSZACIVSA-N 2 2 218.344 2.179 40 0 BEABLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000053201461 387534774 /nfs/dbraw/zinc/53/47/74/387534774.db2.gz HQLQBBYPEOLREE-CQSZACIVSA-N 2 2 218.344 2.179 40 0 BEABLP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000216076767 388352253 /nfs/dbraw/zinc/35/22/53/388352253.db2.gz JQNIKZXOVAYJTM-IUODEOHRSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000216076767 388352255 /nfs/dbraw/zinc/35/22/55/388352255.db2.gz JQNIKZXOVAYJTM-IUODEOHRSA-N 2 2 248.370 2.427 40 0 BEABLP COc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000022222375 388827737 /nfs/dbraw/zinc/82/77/37/388827737.db2.gz AEZAJJACDUCXGH-IUODEOHRSA-N 2 2 248.370 2.427 40 0 BEABLP COc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000022222375 388827742 /nfs/dbraw/zinc/82/77/42/388827742.db2.gz AEZAJJACDUCXGH-IUODEOHRSA-N 2 2 248.370 2.427 40 0 BEABLP Clc1cccc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000036373888 132294907 /nfs/dbraw/zinc/29/49/07/132294907.db2.gz LANLIVCVVSGVNE-UHFFFAOYSA-N 2 2 247.729 2.298 40 0 BEABLP CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034963063 170166831 /nfs/dbraw/zinc/16/68/31/170166831.db2.gz GPRPWGYOLRHPLE-AWEZNQCLSA-N 2 2 218.344 2.261 40 0 BEABLP CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000034963063 170166832 /nfs/dbraw/zinc/16/68/32/170166832.db2.gz GPRPWGYOLRHPLE-AWEZNQCLSA-N 2 2 218.344 2.261 40 0 BEABLP C[NH2+]CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000096523938 173354807 /nfs/dbraw/zinc/35/48/07/173354807.db2.gz KLONPGLINUNHJV-UHFFFAOYSA-N 2 2 222.332 2.244 40 0 BEABLP C[NH2+]CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000096523938 173354808 /nfs/dbraw/zinc/35/48/08/173354808.db2.gz KLONPGLINUNHJV-UHFFFAOYSA-N 2 2 222.332 2.244 40 0 BEABLP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000096523576 175098780 /nfs/dbraw/zinc/09/87/80/175098780.db2.gz QOYGDBZEXQXREY-CQSZACIVSA-N 2 2 248.370 2.317 40 0 BEABLP COc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000096523576 175098782 /nfs/dbraw/zinc/09/87/82/175098782.db2.gz QOYGDBZEXQXREY-CQSZACIVSA-N 2 2 248.370 2.317 40 0 BEABLP COc1cccc(CCC[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000096523533 175252037 /nfs/dbraw/zinc/25/20/37/175252037.db2.gz ARZQKFUEFMDIOE-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP COc1cccc(CCC[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000096523533 175252038 /nfs/dbraw/zinc/25/20/38/175252038.db2.gz ARZQKFUEFMDIOE-AWEZNQCLSA-N 2 2 248.370 2.051 40 0 BEABLP COc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000038809150 175353159 /nfs/dbraw/zinc/35/31/59/175353159.db2.gz AWACISUOWGQNCH-OCCSQVGLSA-N 2 2 248.370 2.427 40 0 BEABLP COc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000038809150 175353160 /nfs/dbraw/zinc/35/31/60/175353160.db2.gz AWACISUOWGQNCH-OCCSQVGLSA-N 2 2 248.370 2.427 40 0 BEABLP