smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000002181849 342716790 /nfs/dbraw/zinc/71/67/90/342716790.db2.gz QWWQBZHVWLPYCZ-UHFFFAOYSA-N 2 1 238.400 2.450 50 0 BEAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)C(F)(F)F ZINC000216240471 180252355 /nfs/dbraw/zinc/25/23/55/180252355.db2.gz YKJUKQVPAIZEAW-VIFPVBQESA-N 2 1 249.280 2.322 50 0 BEAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)C(F)(F)F ZINC000216240471 180252356 /nfs/dbraw/zinc/25/23/56/180252356.db2.gz YKJUKQVPAIZEAW-VIFPVBQESA-N 2 1 249.280 2.322 50 0 BEAAMP CC(C)[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000038901297 188290536 /nfs/dbraw/zinc/29/05/36/188290536.db2.gz HZJWXSRXDXATFA-LBPRGKRZSA-N 2 1 206.333 2.244 50 0 BEAAMP CC(C)[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000038901297 188290537 /nfs/dbraw/zinc/29/05/37/188290537.db2.gz HZJWXSRXDXATFA-LBPRGKRZSA-N 2 1 206.333 2.244 50 0 BEAAMP C[NH+]1CCC([NH2+]CC2(c3ccccc3)CC2)CC1 ZINC000075093159 356820403 /nfs/dbraw/zinc/82/04/03/356820403.db2.gz LDTGDYBOQYODHT-UHFFFAOYSA-N 2 1 244.382 2.402 50 0 BEAAMP c1ccc(C[NH+]2CCC([NH2+]C3CC3)CC2)cc1 ZINC000000153942 183396237 /nfs/dbraw/zinc/39/62/37/183396237.db2.gz GARBAAKWXMLSOF-UHFFFAOYSA-N 2 1 230.355 2.403 50 0 BEAAMP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000090225600 183399741 /nfs/dbraw/zinc/39/97/41/183399741.db2.gz XSMYNCCUVCACAS-LSDHHAIUSA-N 2 1 230.355 2.403 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000090225600 183399743 /nfs/dbraw/zinc/39/97/43/183399743.db2.gz XSMYNCCUVCACAS-LSDHHAIUSA-N 2 1 230.355 2.403 50 0 BEAAMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1C=CCCC1 ZINC000071915663 384191815 /nfs/dbraw/zinc/19/18/15/384191815.db2.gz BHQMRKSFVDJVDO-CQSZACIVSA-N 2 1 222.376 2.369 50 0 BEAAMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000021949815 384709625 /nfs/dbraw/zinc/70/96/25/384709625.db2.gz ZOKLSRZQDQHBTI-LBPRGKRZSA-N 2 1 210.365 2.251 50 0 BEAAMP CCOc1cccc(C[NH2+]CCC[NH+](C)C)c1 ZINC000057362370 384943859 /nfs/dbraw/zinc/94/38/59/384943859.db2.gz HVXSNRQTYCPWDB-UHFFFAOYSA-N 2 1 236.359 2.127 50 0 BEAAMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000089917912 387189615 /nfs/dbraw/zinc/18/96/15/387189615.db2.gz WAKSRYDKPRPRLH-GFCCVEGCSA-N 2 1 240.391 2.016 50 0 BEAAMP C[NH+](C)[C@@H](C[NH2+]C(C1CC1)C1CC1)C1CC1 ZINC000089313858 387296544 /nfs/dbraw/zinc/29/65/44/387296544.db2.gz DYGRBAJPFWJWTB-ZDUSSCGKSA-N 2 1 222.376 2.105 50 0 BEAAMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037643909 170016049 /nfs/dbraw/zinc/01/60/49/170016049.db2.gz BEXFJZHWRAPRDI-QWHCGFSZSA-N 2 1 233.359 2.074 50 0 BEAAMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037643909 170016050 /nfs/dbraw/zinc/01/60/50/170016050.db2.gz BEXFJZHWRAPRDI-QWHCGFSZSA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC[NH2+]2)C1 ZINC000039706398 176099379 /nfs/dbraw/zinc/09/93/79/176099379.db2.gz QFSLEBJPMBYVAG-OLZOCXBDSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC[NH2+]2)C1 ZINC000039706398 176099381 /nfs/dbraw/zinc/09/93/81/176099381.db2.gz QFSLEBJPMBYVAG-OLZOCXBDSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022465953 177039296 /nfs/dbraw/zinc/03/92/96/177039296.db2.gz AXRZFZYEBYREDU-GFCCVEGCSA-N 2 1 204.317 2.043 50 0 BEAAMP C[C@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000022465953 177039298 /nfs/dbraw/zinc/03/92/98/177039298.db2.gz AXRZFZYEBYREDU-GFCCVEGCSA-N 2 1 204.317 2.043 50 0 BEAAMP C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000247965624 177100598 /nfs/dbraw/zinc/10/05/98/177100598.db2.gz HWKYDYXTLASTBO-QWHCGFSZSA-N 2 1 210.365 2.108 50 0 BEAAMP C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000238856646 522506753 /nfs/dbraw/zinc/50/67/53/522506753.db2.gz WSABCMHCIKCUJB-NHAGDIPZSA-N 2 1 232.371 2.362 50 0 BEAAMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccn1 ZINC000091689027 527408431 /nfs/dbraw/zinc/40/84/31/527408431.db2.gz QFVMTYDIIQPPAH-UHFFFAOYSA-N 2 1 244.342 2.109 50 0 BEAAMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccn1 ZINC000091689027 527408436 /nfs/dbraw/zinc/40/84/36/527408436.db2.gz QFVMTYDIIQPPAH-UHFFFAOYSA-N 2 1 244.342 2.109 50 0 BEAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H]([NH3+])[C@@H](C)[NH2+]1 ZINC000757208777 586437878 /nfs/dbraw/zinc/43/78/78/586437878.db2.gz DJFSCOWBYFKTHE-ICCXJUOJSA-N 2 1 244.342 2.012 50 0 BEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1ccccn1 ZINC001506396975 988771657 /nfs/dbraw/zinc/77/16/57/988771657.db2.gz KSEXWGGANKLHMV-LBPRGKRZSA-N 2 1 244.342 2.019 50 0 BEAAMP Cc1cc(OCC[NH2+]CC[NH3+])ccc1C(C)C ZINC000020118070 178211532 /nfs/dbraw/zinc/21/15/32/178211532.db2.gz CVTFKESRGOHKAW-UHFFFAOYSA-N 2 1 236.359 2.046 50 0 BEAAMP C[NH+]1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000000757614 342692406 /nfs/dbraw/zinc/69/24/06/342692406.db2.gz QYAFQIQIDRJXBB-UHFFFAOYSA-N 2 1 236.334 2.052 50 0 BEAAMP C[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000021950017 343028689 /nfs/dbraw/zinc/02/86/89/343028689.db2.gz SVHRLEXHFBEYDF-UHFFFAOYSA-N 2 1 210.365 2.251 50 0 BEAAMP C/C=C(\C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067894062 187274431 /nfs/dbraw/zinc/27/44/31/187274431.db2.gz LANSVSBSOCYJIZ-KGVSQERTSA-N 2 1 208.349 2.028 50 0 BEAAMP C[C@@H](C[NH2+]Cc1cccnc1)C[NH+]1CCCCC1 ZINC000037997551 361095128 /nfs/dbraw/zinc/09/51/28/361095128.db2.gz OMEXQXIGXFRUOM-AWEZNQCLSA-N 2 1 247.386 2.293 50 0 BEAAMP c1cc(C[NH2+]CCC[NH+]2CCCCC2)ccn1 ZINC000020128733 183350877 /nfs/dbraw/zinc/35/08/77/183350877.db2.gz UYLREBUCJQTOSE-UHFFFAOYSA-N 2 1 233.359 2.047 50 0 BEAAMP CCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072323938 169262274 /nfs/dbraw/zinc/26/22/74/169262274.db2.gz ZFTMSBRKTZIYBZ-QWHCGFSZSA-N 2 1 210.365 2.251 50 0 biogenic BEAAMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000082354477 183399409 /nfs/dbraw/zinc/39/94/09/183399409.db2.gz TZOUPQXQHUBGOP-HUUCEWRRSA-N 2 1 230.355 2.261 50 0 BEAAMP FC(F)(F)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067673042 383941154 /nfs/dbraw/zinc/94/11/54/383941154.db2.gz GVBUIAHGCLNWFW-UHFFFAOYSA-N 2 1 236.281 2.014 50 0 BEAAMP C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000014629111 384395507 /nfs/dbraw/zinc/39/55/07/384395507.db2.gz DRPLGRDEZSJOCK-YIONKMFJSA-N 2 1 230.355 2.401 50 0 BEAAMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccsc1 ZINC000097164424 384388932 /nfs/dbraw/zinc/38/89/32/384388932.db2.gz VPMOFQLIKQOPQW-SNVBAGLBSA-N 2 1 235.356 2.375 50 0 BEAAMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000016941943 384474010 /nfs/dbraw/zinc/47/40/10/384474010.db2.gz QJIDWZVKZQJZID-ZDUSSCGKSA-N 2 1 236.334 2.039 50 0 BEAAMP [NH3+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000101075250 384665016 /nfs/dbraw/zinc/66/50/16/384665016.db2.gz DEDUBZVXFIONOV-ILXRZTDVSA-N 2 1 230.355 2.246 50 0 BEAAMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000271479659 384735662 /nfs/dbraw/zinc/73/56/62/384735662.db2.gz ISWBWBNTMQYVEX-DZGCQCFKSA-N 2 1 247.386 2.005 50 0 BEAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCC[NH2+]C1 ZINC000169676802 385416638 /nfs/dbraw/zinc/41/66/38/385416638.db2.gz SAVNZMLFYSVRQK-ZDUSSCGKSA-N 2 1 249.358 2.010 50 0 BEAAMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC000225336602 387942473 /nfs/dbraw/zinc/94/24/73/387942473.db2.gz CJTHVAHMTXTEJG-RISCZKNCSA-N 2 1 236.334 2.180 50 0 BEAAMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC000225336602 387942477 /nfs/dbraw/zinc/94/24/77/387942477.db2.gz CJTHVAHMTXTEJG-RISCZKNCSA-N 2 1 236.334 2.180 50 0 BEAAMP CC[N@@H+](Cc1ccco1)C[C@H]1CC[NH+](CC)C1 ZINC000065535931 170014247 /nfs/dbraw/zinc/01/42/47/170014247.db2.gz ZEPWZPCPYVRKBS-ZDUSSCGKSA-N 2 1 236.359 2.443 50 0 BEAAMP CC[N@H+](Cc1ccco1)C[C@H]1CC[NH+](CC)C1 ZINC000065535931 170014249 /nfs/dbraw/zinc/01/42/49/170014249.db2.gz ZEPWZPCPYVRKBS-ZDUSSCGKSA-N 2 1 236.359 2.443 50 0 BEAAMP CC[NH+](Cc1ccco1)C[C@H]1CC[N@H+](CC)C1 ZINC000065535931 170014251 /nfs/dbraw/zinc/01/42/51/170014251.db2.gz ZEPWZPCPYVRKBS-ZDUSSCGKSA-N 2 1 236.359 2.443 50 0 BEAAMP CC[NH+](Cc1ccco1)C[C@H]1CC[N@@H+](CC)C1 ZINC000065535931 170014253 /nfs/dbraw/zinc/01/42/53/170014253.db2.gz ZEPWZPCPYVRKBS-ZDUSSCGKSA-N 2 1 236.359 2.443 50 0 BEAAMP CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000097109860 171389072 /nfs/dbraw/zinc/38/90/72/171389072.db2.gz AFKDTYBFHJPVJE-AVGNSLFASA-N 2 1 212.381 2.495 50 0 BEAAMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000000802053 175187954 /nfs/dbraw/zinc/18/79/54/175187954.db2.gz UMEYLXKJXCYVOF-LBPRGKRZSA-N 2 1 248.370 2.440 50 0 BEAAMP C[C@H](c1ccccn1)[N@@H+](C)CCCn1ccnc1 ZINC000096490573 177042989 /nfs/dbraw/zinc/04/29/89/177042989.db2.gz GYRHFEZQNCLEGH-CYBMUJFWSA-N 2 1 244.342 2.361 50 0 BEAAMP C[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000026513929 177075824 /nfs/dbraw/zinc/07/58/24/177075824.db2.gz KLTZAMHUSRKUGQ-LBPRGKRZSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000020180476 177100578 /nfs/dbraw/zinc/10/05/78/177100578.db2.gz TXMHJKJXMIMJLR-STQMWFEESA-N 2 1 210.365 2.251 50 0 BEAAMP C[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000003683468 585084993 /nfs/dbraw/zinc/08/49/93/585084993.db2.gz LRLXHKFLDZKJKD-UHFFFAOYSA-N 2 1 210.365 2.393 50 0 BEAAMP C[N@H+](C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000000213883 642757649 /nfs/dbraw/zinc/75/76/49/642757649.db2.gz XGGBXKRUBUCZOR-CYBMUJFWSA-N 2 1 222.376 2.369 50 0 BEAAMP C[N@@H+](C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000000213883 642757653 /nfs/dbraw/zinc/75/76/53/642757653.db2.gz XGGBXKRUBUCZOR-CYBMUJFWSA-N 2 1 222.376 2.369 50 0 BEAAMP C[NH+]1CCC([NH2+]CC2CCCCC2)CC1 ZINC000000221160 342680529 /nfs/dbraw/zinc/68/05/29/342680529.db2.gz KAXOAYJOMFNQOC-UHFFFAOYSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000000757059 342692242 /nfs/dbraw/zinc/69/22/42/342692242.db2.gz BWNOORGFTSYCAZ-ZDUSSCGKSA-N 2 1 232.371 2.474 50 0 BEAAMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000011888325 342844122 /nfs/dbraw/zinc/84/41/22/342844122.db2.gz HGOSSJWKCUJDJZ-AWEZNQCLSA-N 2 1 218.344 2.166 50 0 BEAAMP C1C[C@@H]2[C@H](C3CCCCC3)[NH2+]CCN2C1 ZINC000022456088 343049412 /nfs/dbraw/zinc/04/94/12/343049412.db2.gz HWGJYRYPRGQACU-OLZOCXBDSA-N 2 1 208.349 2.003 50 0 BEAAMP Cc1cccc2nc(C3CC[NH2+]CC3)[nH]c21 ZINC000019091392 187252055 /nfs/dbraw/zinc/25/20/55/187252055.db2.gz GDGRWJKWBUKOOZ-UHFFFAOYSA-N 2 1 215.300 2.338 50 0 BEAAMP CC(C)[C@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022916134 187254619 /nfs/dbraw/zinc/25/46/19/187254619.db2.gz RCCFGZZNNHSKTO-AWEZNQCLSA-N 2 1 218.344 2.028 50 0 BEAAMP CC(C)[C@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022916134 187254621 /nfs/dbraw/zinc/25/46/21/187254621.db2.gz RCCFGZZNNHSKTO-AWEZNQCLSA-N 2 1 218.344 2.028 50 0 BEAAMP Cc1[nH+]ccn1CC[C@H]([NH3+])c1ccccc1 ZINC000019088873 180263706 /nfs/dbraw/zinc/26/37/06/180263706.db2.gz LFUXQDIHKIQZGS-ZDUSSCGKSA-N 2 1 215.300 2.282 50 0 BEAAMP C[NH+]1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000000277068 363050074 /nfs/dbraw/zinc/05/00/74/363050074.db2.gz YNFGCVKSNCAXQL-UHFFFAOYSA-N 2 1 222.307 2.010 50 0 BEAAMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000021302905 181345310 /nfs/dbraw/zinc/34/53/10/181345310.db2.gz TZWXPIKAEAYGPF-AGUYFDCRSA-N 2 1 216.328 2.141 50 0 BEAAMP c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000101271518 368383130 /nfs/dbraw/zinc/38/31/30/368383130.db2.gz XSMYNCCUVCACAS-HUUCEWRRSA-N 2 1 230.355 2.403 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000101271518 368383134 /nfs/dbraw/zinc/38/31/34/368383134.db2.gz XSMYNCCUVCACAS-HUUCEWRRSA-N 2 1 230.355 2.403 50 0 BEAAMP CCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000075847971 169262681 /nfs/dbraw/zinc/26/26/81/169262681.db2.gz ZFTMSBRKTZIYBZ-STQMWFEESA-N 2 1 210.365 2.251 50 0 BEAAMP c1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000072158358 183391071 /nfs/dbraw/zinc/39/10/71/183391071.db2.gz JFPKPLBXOBXIML-MRXNPFEDSA-N 2 1 244.382 2.305 50 0 BEAAMP c1ccc2c(c1)CC[N@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000043214551 384266589 /nfs/dbraw/zinc/26/65/89/384266589.db2.gz ACGIBMDROFXDFQ-OAHLLOKOSA-N 2 1 230.355 2.187 50 0 BEAAMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000016124128 384454010 /nfs/dbraw/zinc/45/40/10/384454010.db2.gz KIDUZWFJBRQQDB-NSHDSACASA-N 2 1 224.373 2.180 50 0 BEAAMP [NH3+]C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000016941947 384473092 /nfs/dbraw/zinc/47/30/92/384473092.db2.gz QJIDWZVKZQJZID-CYBMUJFWSA-N 2 1 236.334 2.039 50 0 BEAAMP c1csc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082729009 384707991 /nfs/dbraw/zinc/70/79/91/384707991.db2.gz ICZBDOCCOOFFDD-DGCLKSJQSA-N 2 1 236.384 2.322 50 0 BEAAMP c1csc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082729009 384707997 /nfs/dbraw/zinc/70/79/97/384707997.db2.gz ICZBDOCCOOFFDD-DGCLKSJQSA-N 2 1 236.384 2.322 50 0 BEAAMP C[NH2+][C@@H](C[NH+]1CCCC1)C1CCCCC1 ZINC000022927778 384778742 /nfs/dbraw/zinc/77/87/42/384778742.db2.gz QHVKQGXQHOCVNK-ZDUSSCGKSA-N 2 1 210.365 2.251 50 0 BEAAMP Cc1c[nH+]c(CC[C@@H]2CCC[NH2+]2)n1C(C)C ZINC000257177366 385214482 /nfs/dbraw/zinc/21/44/82/385214482.db2.gz BADXMJKJDVOGTD-LBPRGKRZSA-N 2 1 221.348 2.457 50 0 BEAAMP C1C[C@@H]2C[NH2+][C@@H](C3CCCCC3)CN2C1 ZINC000072233327 387288534 /nfs/dbraw/zinc/28/85/34/387288534.db2.gz FEZJHFGBVBPDDS-CHWSQXEVSA-N 2 1 208.349 2.003 50 0 BEAAMP CC[NH+](CC)CCC[N@@H+]1CCCSCC1 ZINC000170612343 388256967 /nfs/dbraw/zinc/25/69/67/388256967.db2.gz LRFHBIRDNHRIOQ-UHFFFAOYSA-N 2 1 230.421 2.157 50 0 BEAAMP CC[NH+](CC)CCC[N@H+]1CCCSCC1 ZINC000170612343 388256968 /nfs/dbraw/zinc/25/69/68/388256968.db2.gz LRFHBIRDNHRIOQ-UHFFFAOYSA-N 2 1 230.421 2.157 50 0 BEAAMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000261530945 135159355 /nfs/dbraw/zinc/15/93/55/135159355.db2.gz DPBUPLVEHQIOMM-WOPDTQHZSA-N 2 1 206.333 2.381 50 0 BEAAMP CC1(C)CC([NH2+]Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000000798147 167888799 /nfs/dbraw/zinc/88/87/99/167888799.db2.gz YTCVAFLCWSUARN-UHFFFAOYSA-N 2 1 247.386 2.480 50 0 BEAAMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037643910 170008175 /nfs/dbraw/zinc/00/81/75/170008175.db2.gz BEXFJZHWRAPRDI-STQMWFEESA-N 2 1 233.359 2.074 50 0 BEAAMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000037643910 170008177 /nfs/dbraw/zinc/00/81/77/170008177.db2.gz BEXFJZHWRAPRDI-STQMWFEESA-N 2 1 233.359 2.074 50 0 BEAAMP C[N@H+]1CCc2ccccc2[C@@H]1C1CC[NH2+]CC1 ZINC000004043900 173171918 /nfs/dbraw/zinc/17/19/18/173171918.db2.gz PZHSWXZQRBFJRO-HNNXBMFYSA-N 2 1 230.355 2.215 50 0 biogenic BEAAMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000247965623 176097328 /nfs/dbraw/zinc/09/73/28/176097328.db2.gz HWKYDYXTLASTBO-CHWSQXEVSA-N 2 1 210.365 2.108 50 0 BEAAMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000042783357 176097677 /nfs/dbraw/zinc/09/76/77/176097677.db2.gz HWKYDYXTLASTBO-OLZOCXBDSA-N 2 1 210.365 2.108 50 0 BEAAMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH3+])C1 ZINC000021953070 176100779 /nfs/dbraw/zinc/10/07/79/176100779.db2.gz IVLIBJFMPDKULN-GFCCVEGCSA-N 2 1 218.344 2.377 50 0 BEAAMP C[C@H]1CCCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC000248026294 177077909 /nfs/dbraw/zinc/07/79/09/177077909.db2.gz MFXXXBLYRBZJGN-QWHCGFSZSA-N 2 1 210.365 2.393 50 0 BEAAMP Cc1cnccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000244673606 526228992 /nfs/dbraw/zinc/22/89/92/526228992.db2.gz HSGUNNDATIXXOD-HNNXBMFYSA-N 2 1 247.386 2.306 50 0 BEAAMP Cc1cnccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000244673606 526228995 /nfs/dbraw/zinc/22/89/95/526228995.db2.gz HSGUNNDATIXXOD-HNNXBMFYSA-N 2 1 247.386 2.306 50 0 BEAAMP CC[N@@H+](C)C1(CNc2cc[nH+]c(C)c2)CCCC1 ZINC000584891937 585016366 /nfs/dbraw/zinc/01/63/66/585016366.db2.gz QNHPPJVYSSLGCE-UHFFFAOYSA-N 2 1 247.386 2.488 50 0 BEAAMP CC[C@H]1CCC[N@@H+](CCc2nccn2C)CC1 ZINC000822722754 968533340 /nfs/dbraw/zinc/53/33/40/968533340.db2.gz UJOFAHKOVRCGMF-ZDUSSCGKSA-N 2 1 235.375 2.475 50 0 BEAAMP Fc1ccc2[nH+]ccc(N3CCC[NH2+]CC3)c2c1 ZINC000012955371 342861875 /nfs/dbraw/zinc/86/18/75/342861875.db2.gz PGTOPPQZYOFRSL-UHFFFAOYSA-N 2 1 245.301 2.174 50 0 BEAAMP CN(C)c1cc(CCC2CC[NH2+]CC2)cc[nH+]1 ZINC000019686804 342954157 /nfs/dbraw/zinc/95/41/57/342954157.db2.gz TYBMPMHRTVKXPW-UHFFFAOYSA-N 2 1 233.359 2.080 50 0 BEAAMP CCOc1ccc([C@H](CN)[NH+]2CCCC2)cc1 ZINC000032522368 343237140 /nfs/dbraw/zinc/23/71/40/343237140.db2.gz IHSRNHAQSLSZON-AWEZNQCLSA-N 2 1 234.343 2.181 50 0 BEAAMP C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000000202093 343269538 /nfs/dbraw/zinc/26/95/38/343269538.db2.gz DRDAKYFBBYLPQY-UHFFFAOYSA-N 2 1 218.344 2.213 50 0 BEAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000000202093 343269539 /nfs/dbraw/zinc/26/95/39/343269539.db2.gz DRDAKYFBBYLPQY-UHFFFAOYSA-N 2 1 218.344 2.213 50 0 BEAAMP CC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000037083508 343333177 /nfs/dbraw/zinc/33/31/77/343333177.db2.gz YMMDTACRTPLXLJ-ZDUSSCGKSA-N 2 1 210.365 2.251 50 0 BEAAMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000097772954 179074301 /nfs/dbraw/zinc/07/43/01/179074301.db2.gz NXVZMKOLIDHMAT-OAHLLOKOSA-N 2 1 247.386 2.306 50 0 BEAAMP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000097772954 179074303 /nfs/dbraw/zinc/07/43/03/179074303.db2.gz NXVZMKOLIDHMAT-OAHLLOKOSA-N 2 1 247.386 2.306 50 0 BEAAMP CC[NH+]1CCC([N@@H+]2CCC[C@H](C)C2)CC1 ZINC000003683512 346578261 /nfs/dbraw/zinc/57/82/61/346578261.db2.gz ZUFKXQBRAUJVJC-LBPRGKRZSA-N 2 1 210.365 2.203 50 0 BEAAMP CC[NH+]1CCC([N@H+]2CCC[C@H](C)C2)CC1 ZINC000003683512 346578265 /nfs/dbraw/zinc/57/82/65/346578265.db2.gz ZUFKXQBRAUJVJC-LBPRGKRZSA-N 2 1 210.365 2.203 50 0 BEAAMP CC(C)SCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000308797783 323172069 /nfs/dbraw/zinc/17/20/69/323172069.db2.gz LFWPJIQHHAEEIN-GFCCVEGCSA-N 2 1 230.421 2.059 50 0 BEAAMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000037786336 365273693 /nfs/dbraw/zinc/27/36/93/365273693.db2.gz HRMJAUIEAJNOGK-UHFFFAOYSA-N 2 1 247.386 2.434 50 0 BEAAMP CCC[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000016663148 169188285 /nfs/dbraw/zinc/18/82/85/169188285.db2.gz XBDWDWUZLUNPTG-UHFFFAOYSA-N 2 1 233.359 2.046 50 0 BEAAMP c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000061686076 183397664 /nfs/dbraw/zinc/39/76/64/183397664.db2.gz XTNWFMYRGJBRAD-UHFFFAOYSA-N 2 1 230.355 2.262 50 0 BEAAMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000097165790 384388556 /nfs/dbraw/zinc/38/85/56/384388556.db2.gz STHREKKEZYPTTF-QLFBSQMISA-N 2 1 248.345 2.495 50 0 BEAAMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000097165790 384388558 /nfs/dbraw/zinc/38/85/58/384388558.db2.gz STHREKKEZYPTTF-QLFBSQMISA-N 2 1 248.345 2.495 50 0 BEAAMP CC(C)[N@@H+](CC1CC[NH2+]CC1)C1CCC1 ZINC000086702033 384775238 /nfs/dbraw/zinc/77/52/38/384775238.db2.gz YYRUADLLEUTGTO-UHFFFAOYSA-N 2 1 210.365 2.249 50 0 BEAAMP C[C@@H](F)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336587364 386717156 /nfs/dbraw/zinc/71/71/56/386717156.db2.gz BCRFWSIEXBRYAP-GFCCVEGCSA-N 2 1 228.355 2.295 50 0 BEAAMP C[C@@H](F)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336587364 386717165 /nfs/dbraw/zinc/71/71/65/386717165.db2.gz BCRFWSIEXBRYAP-GFCCVEGCSA-N 2 1 228.355 2.295 50 0 BEAAMP CC1CC[NH+](C[C@H]2CCCCC[NH2+]2)CC1 ZINC000039706295 168182859 /nfs/dbraw/zinc/18/28/59/168182859.db2.gz QBELRXGKFSZIKU-CYBMUJFWSA-N 2 1 210.365 2.251 50 0 BEAAMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250199487 170010078 /nfs/dbraw/zinc/01/00/78/170010078.db2.gz BEXFJZHWRAPRDI-OLZOCXBDSA-N 2 1 233.359 2.074 50 0 BEAAMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250199487 170010079 /nfs/dbraw/zinc/01/00/79/170010079.db2.gz BEXFJZHWRAPRDI-OLZOCXBDSA-N 2 1 233.359 2.074 50 0 BEAAMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364610350 171365927 /nfs/dbraw/zinc/36/59/27/171365927.db2.gz WGIFPMRHBQYOPK-XQQFMLRXSA-N 2 1 235.375 2.470 50 0 BEAAMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000053034637 173370805 /nfs/dbraw/zinc/37/08/05/173370805.db2.gz CRDDNNOVRLXICC-NSHDSACASA-N 2 1 224.373 2.098 50 0 BEAAMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000002884757 176022369 /nfs/dbraw/zinc/02/23/69/176022369.db2.gz KNCVIVHOXNPVNM-NWDGAFQWSA-N 2 1 204.317 2.028 50 0 BEAAMP C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783355 176070916 /nfs/dbraw/zinc/07/09/16/176070916.db2.gz ZMUWLWCDNLMCJL-OLZOCXBDSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000248098806 176071050 /nfs/dbraw/zinc/07/10/50/176071050.db2.gz ZMUWLWCDNLMCJL-CHWSQXEVSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000000182133 176080854 /nfs/dbraw/zinc/08/08/54/176080854.db2.gz DCJHMQGYKZDCAZ-YPMHNXCESA-N 2 1 210.365 2.249 50 0 BEAAMP C[C@@H]1CCC[N@H+](C[C@H]2CCCCC[NH2+]2)C1 ZINC000245228327 176100190 /nfs/dbraw/zinc/10/01/90/176100190.db2.gz QFSLEBJPMBYVAG-CHWSQXEVSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCCC[NH2+]2)C1 ZINC000245228327 176100192 /nfs/dbraw/zinc/10/01/92/176100192.db2.gz QFSLEBJPMBYVAG-CHWSQXEVSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000097102809 487831166 /nfs/dbraw/zinc/83/11/66/487831166.db2.gz CJTHVAHMTXTEJG-SMDDNHRTSA-N 2 1 236.334 2.180 50 0 BEAAMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC000097102809 487831173 /nfs/dbraw/zinc/83/11/73/487831173.db2.gz CJTHVAHMTXTEJG-SMDDNHRTSA-N 2 1 236.334 2.180 50 0 BEAAMP Cc1cc(OCC[NH2+]CC[NH3+])cc(C(C)C)c1 ZINC000020118628 178210530 /nfs/dbraw/zinc/21/05/30/178210530.db2.gz BRWHEDGYXVUXBW-UHFFFAOYSA-N 2 1 236.359 2.046 50 0 BEAAMP C[N@@H+](CC1CCCCC1)C1CC[NH2+]CC1 ZINC000036300941 342908258 /nfs/dbraw/zinc/90/82/58/342908258.db2.gz ZDLOVDPBOAODKS-UHFFFAOYSA-N 2 1 210.365 2.251 50 0 BEAAMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000020270228 342979304 /nfs/dbraw/zinc/97/93/04/342979304.db2.gz YKMPYOXSVIFYBL-CHWSQXEVSA-N 2 1 210.365 2.251 50 0 BEAAMP CCOc1ccc([C@@H](CN)[NH+]2CCCC2)cc1 ZINC000032522366 343237019 /nfs/dbraw/zinc/23/70/19/343237019.db2.gz IHSRNHAQSLSZON-CQSZACIVSA-N 2 1 234.343 2.181 50 0 BEAAMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000035805093 343304563 /nfs/dbraw/zinc/30/45/63/343304563.db2.gz LYPICULWQSVURF-OAHLLOKOSA-N 2 1 232.371 2.303 50 0 BEAAMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000035805093 343304565 /nfs/dbraw/zinc/30/45/65/343304565.db2.gz LYPICULWQSVURF-OAHLLOKOSA-N 2 1 232.371 2.303 50 0 BEAAMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000095420555 188364338 /nfs/dbraw/zinc/36/43/38/188364338.db2.gz MHYOZZSVDXYXMW-PWSUYJOCSA-N 2 1 212.381 2.351 50 0 BEAAMP C1[C@H]2C[C@H]3CCCC[N@H+]3C[C@H]2[C@@H]2CCCC[NH+]12 ZINC000002480708 356427349 /nfs/dbraw/zinc/42/73/49/356427349.db2.gz ZMEWOHVYLPPUTG-TUVASFSCSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@H]3CCCC[NH+]3C[C@H]2[C@@H]2CCCC[N@H+]12 ZINC000002480708 356427353 /nfs/dbraw/zinc/42/73/53/356427353.db2.gz ZMEWOHVYLPPUTG-TUVASFSCSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@H]3CCCC[NH+]3C[C@H]2[C@@H]2CCCC[N@@H+]12 ZINC000002480708 356427358 /nfs/dbraw/zinc/42/73/58/356427358.db2.gz ZMEWOHVYLPPUTG-TUVASFSCSA-N 2 1 234.387 2.345 50 0 BEAAMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000042783428 384243884 /nfs/dbraw/zinc/24/38/84/384243884.db2.gz CFXPAJNJKWJZCR-GFCCVEGCSA-N 2 1 210.365 2.251 50 0 BEAAMP [NH3+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000101075246 384663586 /nfs/dbraw/zinc/66/35/86/384663586.db2.gz DEDUBZVXFIONOV-KKUMJFAQSA-N 2 1 230.355 2.246 50 0 BEAAMP CC[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000248097136 384637269 /nfs/dbraw/zinc/63/72/69/384637269.db2.gz YKMPYOXSVIFYBL-STQMWFEESA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261563344 135205636 /nfs/dbraw/zinc/20/56/36/135205636.db2.gz WYZQUZGEKQAROR-VHDGCEQUSA-N 2 1 230.355 2.289 50 0 BEAAMP CC(C)[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000216609867 167112707 /nfs/dbraw/zinc/11/27/07/167112707.db2.gz HJRYJEQUBFLNGH-STQMWFEESA-N 2 1 210.365 2.249 50 0 BEAAMP CC(C)[C@@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022916131 167397803 /nfs/dbraw/zinc/39/78/03/167397803.db2.gz RCCFGZZNNHSKTO-CQSZACIVSA-N 2 1 218.344 2.028 50 0 BEAAMP CC(C)[C@@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022916131 167397805 /nfs/dbraw/zinc/39/78/05/167397805.db2.gz RCCFGZZNNHSKTO-CQSZACIVSA-N 2 1 218.344 2.028 50 0 BEAAMP CC1CC[NH+](CCC[NH2+]Cc2cccnc2)CC1 ZINC000020146242 168179757 /nfs/dbraw/zinc/17/97/57/168179757.db2.gz PYQRLXZOQLHSEH-UHFFFAOYSA-N 2 1 247.386 2.293 50 0 BEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037644139 170016503 /nfs/dbraw/zinc/01/65/03/170016503.db2.gz VJTLIVYGFLVWLF-GFCCVEGCSA-N 2 1 236.334 2.257 50 0 BEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037644139 170016504 /nfs/dbraw/zinc/01/65/04/170016504.db2.gz VJTLIVYGFLVWLF-GFCCVEGCSA-N 2 1 236.334 2.257 50 0 BEAAMP CC[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019736990 170112381 /nfs/dbraw/zinc/11/23/81/170112381.db2.gz DEWAPMCDNKXPOL-UHFFFAOYSA-N 2 1 206.333 2.118 50 0 BEAAMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1)C2 ZINC000000198761 173206684 /nfs/dbraw/zinc/20/66/84/173206684.db2.gz IJBWOPMYRYEKGI-GOOCMWNKSA-N 2 1 230.355 2.401 50 0 BEAAMP C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180470 176070193 /nfs/dbraw/zinc/07/01/93/176070193.db2.gz MFXXXBLYRBZJGN-OLZOCXBDSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@H](c1ccncc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000067758584 177050584 /nfs/dbraw/zinc/05/05/84/177050584.db2.gz PSMCVJQZJCLSDE-GFCCVEGCSA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@H]1CCC[N@H+](C[C@H]2CCCCC[NH2+]2)C1 ZINC000245228328 177099109 /nfs/dbraw/zinc/09/91/09/177099109.db2.gz QFSLEBJPMBYVAG-QWHCGFSZSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H]1CCC[N@@H+](C[C@H]2CCCCC[NH2+]2)C1 ZINC000245228328 177099110 /nfs/dbraw/zinc/09/91/10/177099110.db2.gz QFSLEBJPMBYVAG-QWHCGFSZSA-N 2 1 210.365 2.251 50 0 BEAAMP CC[N@@H+](C)C1(C[NH2+]C2CCOCC2)CCCC1 ZINC000534592185 323154609 /nfs/dbraw/zinc/15/46/09/323154609.db2.gz RIHDLNMZGOABLK-UHFFFAOYSA-N 2 1 240.391 2.020 50 0 BEAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H]([NH3+])[C@H](C)[NH2+]1 ZINC000757208772 586438104 /nfs/dbraw/zinc/43/81/04/586438104.db2.gz DJFSCOWBYFKTHE-BIMULSAOSA-N 2 1 244.342 2.012 50 0 BEAAMP Cc1ccc[nH+]c1N1CCC2(C1)CC[NH+](C)CC2 ZINC001506400542 988774147 /nfs/dbraw/zinc/77/41/47/988774147.db2.gz NRUUNADOOIXTIF-UHFFFAOYSA-N 2 1 245.370 2.312 50 0 BEAAMP CC[C@H](F)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000241466059 398160961 /nfs/dbraw/zinc/16/09/61/398160961.db2.gz NUIMFCLIWQRQAQ-LBPRGKRZSA-N 2 1 227.327 2.262 50 0 BEAAMP CC[C@H](F)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000241466059 398160963 /nfs/dbraw/zinc/16/09/63/398160963.db2.gz NUIMFCLIWQRQAQ-LBPRGKRZSA-N 2 1 227.327 2.262 50 0 BEAAMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000000757060 342692524 /nfs/dbraw/zinc/69/25/24/342692524.db2.gz BWNOORGFTSYCAZ-CYBMUJFWSA-N 2 1 232.371 2.474 50 0 BEAAMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2C)CC1 ZINC000003683568 342736671 /nfs/dbraw/zinc/73/66/71/342736671.db2.gz VSIQLVWXDDPOBL-LBPRGKRZSA-N 2 1 210.365 2.345 50 0 BEAAMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2C)CC1 ZINC000003683568 342736673 /nfs/dbraw/zinc/73/66/73/342736673.db2.gz VSIQLVWXDDPOBL-LBPRGKRZSA-N 2 1 210.365 2.345 50 0 BEAAMP CC[N@@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC000019506015 342950185 /nfs/dbraw/zinc/95/01/85/342950185.db2.gz IYWZOOZGPFPPFU-UHFFFAOYSA-N 2 1 210.365 2.393 50 0 BEAAMP CC(C)C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000032577720 343238150 /nfs/dbraw/zinc/23/81/50/343238150.db2.gz SNWTZVUVJOZPET-UHFFFAOYSA-N 2 1 242.432 2.156 50 0 BEAAMP CCCC[N@@H+](CC)Cc1ccc(C[NH3+])o1 ZINC000032919770 343244702 /nfs/dbraw/zinc/24/47/02/343244702.db2.gz ZEXRTTNLMUGITC-UHFFFAOYSA-N 2 1 210.321 2.360 50 0 BEAAMP C1CC1[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000035054451 352554326 /nfs/dbraw/zinc/55/43/26/352554326.db2.gz TZKQQZKIAJVKRX-UHFFFAOYSA-N 2 1 240.416 2.098 50 0 BEAAMP C[NH+](C)C1(C[NH2+][C@@H]2CCCSC2)CCCC1 ZINC000132074703 353149620 /nfs/dbraw/zinc/14/96/20/353149620.db2.gz VJWKTGXOZUKEOB-GFCCVEGCSA-N 2 1 242.432 2.346 50 0 BEAAMP CC[N@H+]1CCC[C@H]1CNC1=[NH+]CCCCC1 ZINC000004166935 353269472 /nfs/dbraw/zinc/26/94/72/353269472.db2.gz KRZAPXOIWFZRHV-LBPRGKRZSA-N 2 1 223.364 2.033 50 0 BEAAMP C1CSC2(CC[NH+](C3CCCCC3)CC2)[NH2+]1 ZINC000043827911 188296126 /nfs/dbraw/zinc/29/61/26/188296126.db2.gz DSZWHJBBPUPNHH-UHFFFAOYSA-N 2 1 240.416 2.448 50 0 BEAAMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC000245229313 324199965 /nfs/dbraw/zinc/19/99/65/324199965.db2.gz TXMHJKJXMIMJLR-CHWSQXEVSA-N 2 1 210.365 2.251 50 0 BEAAMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000037786341 365275213 /nfs/dbraw/zinc/27/52/13/365275213.db2.gz PVDAIRDBSFJIOY-UHFFFAOYSA-N 2 1 247.386 2.434 50 0 BEAAMP C1=C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000230279252 371882400 /nfs/dbraw/zinc/88/24/00/371882400.db2.gz HYJOOBJLHLGLBJ-MJBXVCDLSA-N 2 1 220.360 2.312 50 0 BEAAMP C[NH+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000036378945 383901445 /nfs/dbraw/zinc/90/14/45/383901445.db2.gz OBVYWDMYARWZRA-UHFFFAOYSA-N 2 1 218.344 2.213 50 0 BEAAMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000019089489 384509553 /nfs/dbraw/zinc/50/95/53/384509553.db2.gz KDPMGDIOCGIION-CQSZACIVSA-N 2 1 218.344 2.390 50 0 BEAAMP Cc1c[nH+]c(C[C@H]2CCC[NH2+]C2)n1C(C)C ZINC000169676620 385417124 /nfs/dbraw/zinc/41/71/24/385417124.db2.gz OGWPVBVLEHTHJZ-GFCCVEGCSA-N 2 1 221.348 2.315 50 0 BEAAMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000000171526 132312795 /nfs/dbraw/zinc/31/27/95/132312795.db2.gz DNXNPMDUDGUXOB-UHFFFAOYSA-N 2 1 247.729 2.298 50 0 BEAAMP CC(C)[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000098063897 167115707 /nfs/dbraw/zinc/11/57/07/167115707.db2.gz HJRYJEQUBFLNGH-CHWSQXEVSA-N 2 1 210.365 2.249 50 0 BEAAMP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004203931 170120464 /nfs/dbraw/zinc/12/04/64/170120464.db2.gz AMRNWWPARHIDHZ-AWEZNQCLSA-N 2 1 218.344 2.118 50 0 BEAAMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364610351 171366101 /nfs/dbraw/zinc/36/61/01/171366101.db2.gz WGIFPMRHBQYOPK-YNEHKIRRSA-N 2 1 235.375 2.470 50 0 BEAAMP CCc1[nH+]ccn1CCC[NH+](CC)CC ZINC000192840399 172024566 /nfs/dbraw/zinc/02/45/66/172024566.db2.gz FPUSYUBKFUUDSK-UHFFFAOYSA-N 2 1 209.337 2.177 50 0 BEAAMP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000026513921 176097872 /nfs/dbraw/zinc/09/78/72/176097872.db2.gz QVOYSWKQIXCAOQ-GFCCVEGCSA-N 2 1 210.365 2.108 50 0 BEAAMP C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000000182124 177088665 /nfs/dbraw/zinc/08/86/65/177088665.db2.gz DCJHMQGYKZDCAZ-WCQYABFASA-N 2 1 210.365 2.249 50 0 BEAAMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000020284046 177101645 /nfs/dbraw/zinc/10/16/45/177101645.db2.gz NVPRDRGHQMCFOS-LBPRGKRZSA-N 2 1 218.344 2.377 50 0 BEAAMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000097102810 487831311 /nfs/dbraw/zinc/83/13/11/487831311.db2.gz CJTHVAHMTXTEJG-BXUZGUMPSA-N 2 1 236.334 2.180 50 0 BEAAMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC000097102810 487831316 /nfs/dbraw/zinc/83/13/16/487831316.db2.gz CJTHVAHMTXTEJG-BXUZGUMPSA-N 2 1 236.334 2.180 50 0 BEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC)C1 ZINC000037643767 521717206 /nfs/dbraw/zinc/71/72/06/521717206.db2.gz ILJDMCMAPJBVRB-CYBMUJFWSA-N 2 1 248.370 2.127 50 0 BEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC)C1 ZINC000037643767 521717207 /nfs/dbraw/zinc/71/72/07/521717207.db2.gz ILJDMCMAPJBVRB-CYBMUJFWSA-N 2 1 248.370 2.127 50 0 BEAAMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)SC)[C@H](C)C1 ZINC000245289975 521721135 /nfs/dbraw/zinc/72/11/35/521721135.db2.gz GLBSBOQHIMFMPB-WOPDTQHZSA-N 2 1 230.421 2.058 50 0 BEAAMP C[N@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000000216377 642757793 /nfs/dbraw/zinc/75/77/93/642757793.db2.gz REMPFCSQAKGLID-UHFFFAOYSA-N 2 1 232.371 2.255 50 0 BEAAMP C[N@@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000000216377 642757797 /nfs/dbraw/zinc/75/77/97/642757797.db2.gz REMPFCSQAKGLID-UHFFFAOYSA-N 2 1 232.371 2.255 50 0 BEAAMP Cn1ccnc1CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001506402507 988774415 /nfs/dbraw/zinc/77/44/15/988774415.db2.gz NXALHAXLWWDIKD-UONOGXRCSA-N 2 1 247.386 2.475 50 0 BEAAMP C[NH+]1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000003684154 343139461 /nfs/dbraw/zinc/13/94/61/343139461.db2.gz PLYWEOOWONUOBN-UHFFFAOYSA-N 2 1 222.307 2.010 50 0 BEAAMP Cc1[nH+]ccn1CC[C@@H]([NH3+])c1ccccc1 ZINC000019088870 180263259 /nfs/dbraw/zinc/26/32/59/180263259.db2.gz LFUXQDIHKIQZGS-CYBMUJFWSA-N 2 1 215.300 2.282 50 0 BEAAMP CC(C)[N@H+]1CC[C@H](CN(C)Cc2ccoc2)C1 ZINC000252488397 188369898 /nfs/dbraw/zinc/36/98/98/188369898.db2.gz IRBROWHELPRSAK-CYBMUJFWSA-N 2 1 236.359 2.442 50 0 BEAAMP C1CC[NH+]2C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]2C1 ZINC000000157025 359618754 /nfs/dbraw/zinc/61/87/54/359618754.db2.gz SLRCCWJSBJZJBV-KBUPBQIOSA-N 2 1 234.387 2.345 50 0 biogenic BEAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](CC1=CCCCC1)C2 ZINC000426495557 200991319 /nfs/dbraw/zinc/99/13/19/200991319.db2.gz CMGPXFQGCZUWQG-WDNDVIMCSA-N 2 1 220.360 2.156 50 0 BEAAMP Cc1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000584899528 369046516 /nfs/dbraw/zinc/04/65/16/369046516.db2.gz FEJQFWVQCLUSDB-ZDUSSCGKSA-N 2 1 247.386 2.344 50 0 BEAAMP CCCC[C@H]1C=CC[N@H+]1CC1CC[NH2+]CC1 ZINC000067895027 169012698 /nfs/dbraw/zinc/01/26/98/169012698.db2.gz DXSDGYKXUHQALS-AWEZNQCLSA-N 2 1 222.376 2.417 50 0 BEAAMP CCC[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085389428 169264526 /nfs/dbraw/zinc/26/45/26/169264526.db2.gz ZFTMSBRKTZIYBZ-CHWSQXEVSA-N 2 1 210.365 2.251 50 0 BEAAMP c1ccc(CC[NH+]2CCC([NH2+]C3CC3)CC2)cc1 ZINC000000757674 183392421 /nfs/dbraw/zinc/39/24/21/183392421.db2.gz CNHSHAOMDCCJJB-UHFFFAOYSA-N 2 1 244.382 2.446 50 0 BEAAMP [NH3+]CC[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069626487 384051113 /nfs/dbraw/zinc/05/11/13/384051113.db2.gz KAVWBYRANWAVMU-LBPRGKRZSA-N 2 1 210.365 2.380 50 0 BEAAMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000042783429 384243806 /nfs/dbraw/zinc/24/38/06/384243806.db2.gz CFXPAJNJKWJZCR-LBPRGKRZSA-N 2 1 210.365 2.251 50 0 BEAAMP c1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000042783380 384245532 /nfs/dbraw/zinc/24/55/32/384245532.db2.gz ZWSWMTUJAXTPMR-CQSZACIVSA-N 2 1 244.382 2.434 50 0 BEAAMP c1ccc2c(c1)CC[N@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000043214552 384266287 /nfs/dbraw/zinc/26/62/87/384266287.db2.gz ACGIBMDROFXDFQ-HNNXBMFYSA-N 2 1 230.355 2.187 50 0 BEAAMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccsc1 ZINC000097164423 384389188 /nfs/dbraw/zinc/38/91/88/384389188.db2.gz VPMOFQLIKQOPQW-JTQLQIEISA-N 2 1 235.356 2.375 50 0 BEAAMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3C[NH2+]2)cc1 ZINC000096663766 384470354 /nfs/dbraw/zinc/47/03/54/384470354.db2.gz WBDUGCMYPUIWLB-KLHDSHLOSA-N 2 1 242.366 2.116 50 0 BEAAMP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708376 384555671 /nfs/dbraw/zinc/55/56/71/384555671.db2.gz STCVCYHAQNLPFA-OCCSQVGLSA-N 2 1 218.344 2.259 50 0 BEAAMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000100013265 384608774 /nfs/dbraw/zinc/60/87/74/384608774.db2.gz TZWXPIKAEAYGPF-BTTYYORXSA-N 2 1 216.328 2.141 50 0 BEAAMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000101075244 384664289 /nfs/dbraw/zinc/66/42/89/384664289.db2.gz DEDUBZVXFIONOV-SOUVJXGZSA-N 2 1 230.355 2.246 50 0 BEAAMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535409 384775696 /nfs/dbraw/zinc/77/56/96/384775696.db2.gz BCQHUTMQYWHWAV-OLZOCXBDSA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000044535409 384775701 /nfs/dbraw/zinc/77/57/01/384775701.db2.gz BCQHUTMQYWHWAV-OLZOCXBDSA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@H](F)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336587365 386716984 /nfs/dbraw/zinc/71/69/84/386716984.db2.gz BCRFWSIEXBRYAP-LBPRGKRZSA-N 2 1 228.355 2.295 50 0 BEAAMP C[C@H](F)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336587365 386716994 /nfs/dbraw/zinc/71/69/94/386716994.db2.gz BCRFWSIEXBRYAP-LBPRGKRZSA-N 2 1 228.355 2.295 50 0 BEAAMP CC1(C)CC([NH2+]Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000000798145 167889521 /nfs/dbraw/zinc/88/95/21/167889521.db2.gz QIZILGTXDSTQQF-UHFFFAOYSA-N 2 1 247.386 2.480 50 0 BEAAMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250198980 170016224 /nfs/dbraw/zinc/01/62/24/170016224.db2.gz BEXFJZHWRAPRDI-CHWSQXEVSA-N 2 1 233.359 2.074 50 0 BEAAMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000250198980 170016226 /nfs/dbraw/zinc/01/62/26/170016226.db2.gz BEXFJZHWRAPRDI-CHWSQXEVSA-N 2 1 233.359 2.074 50 0 BEAAMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)SC)[C@H](C)C1 ZINC000090725122 170020703 /nfs/dbraw/zinc/02/07/03/170020703.db2.gz GLBSBOQHIMFMPB-UTUOFQBUSA-N 2 1 230.421 2.058 50 0 BEAAMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364610348 171389420 /nfs/dbraw/zinc/38/94/20/171389420.db2.gz WGIFPMRHBQYOPK-AVGNSLFASA-N 2 1 235.375 2.470 50 0 BEAAMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000005008136 173166897 /nfs/dbraw/zinc/16/68/97/173166897.db2.gz JGYPHXHSHDDFRM-HNNXBMFYSA-N 2 1 230.355 2.214 50 0 BEAAMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000005008136 173166898 /nfs/dbraw/zinc/16/68/98/173166898.db2.gz JGYPHXHSHDDFRM-HNNXBMFYSA-N 2 1 230.355 2.214 50 0 BEAAMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000005008136 173166901 /nfs/dbraw/zinc/16/69/01/173166901.db2.gz JGYPHXHSHDDFRM-HNNXBMFYSA-N 2 1 230.355 2.214 50 0 BEAAMP C[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022465947 176020524 /nfs/dbraw/zinc/02/05/24/176020524.db2.gz AXRZFZYEBYREDU-LBPRGKRZSA-N 2 1 204.317 2.043 50 0 BEAAMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000022465947 176020525 /nfs/dbraw/zinc/02/05/25/176020525.db2.gz AXRZFZYEBYREDU-LBPRGKRZSA-N 2 1 204.317 2.043 50 0 BEAAMP C[C@@H](c1ccncc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000067758582 176034232 /nfs/dbraw/zinc/03/42/32/176034232.db2.gz PSMCVJQZJCLSDE-LBPRGKRZSA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@H]1CCCC[N@H+]1C1CN(c2cc[nH+]cc2)C1 ZINC000077455113 177073856 /nfs/dbraw/zinc/07/38/56/177073856.db2.gz IKNHOOVJGLTAGF-LBPRGKRZSA-N 2 1 231.343 2.145 50 0 BEAAMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000238853080 522394698 /nfs/dbraw/zinc/39/46/98/522394698.db2.gz IHQIWSDHRQUUHL-TZMCWYRMSA-N 2 1 218.344 2.116 50 0 BEAAMP CC(C)(C)C[N@H+]1CC[C@@H](C2CC[NH2+]CC2)C1 ZINC000071764671 398159644 /nfs/dbraw/zinc/15/96/44/398159644.db2.gz ZZUVBTOBYUELJY-CYBMUJFWSA-N 2 1 224.392 2.354 50 0 BEAAMP [NH3+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000014007997 342875573 /nfs/dbraw/zinc/87/55/73/342875573.db2.gz DEDUBZVXFIONOV-KFWWJZLASA-N 2 1 230.355 2.246 50 0 BEAAMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000038409935 343374590 /nfs/dbraw/zinc/37/45/90/343374590.db2.gz ZSWUAMLORPBSTM-CYBMUJFWSA-N 2 1 218.344 2.246 50 0 BEAAMP CCC/C=C/C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067560658 187273593 /nfs/dbraw/zinc/27/35/93/187273593.db2.gz CGYAQKXXUQVUIO-SNAWJCMRSA-N 2 1 222.376 2.418 50 0 BEAAMP C[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC000245229314 373202616 /nfs/dbraw/zinc/20/26/16/373202616.db2.gz TXMHJKJXMIMJLR-QWHCGFSZSA-N 2 1 210.365 2.251 50 0 BEAAMP c1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000072158359 183390980 /nfs/dbraw/zinc/39/09/80/183390980.db2.gz JFPKPLBXOBXIML-INIZCTEOSA-N 2 1 244.382 2.305 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000078210773 183398470 /nfs/dbraw/zinc/39/84/70/183398470.db2.gz TZOUPQXQHUBGOP-CABCVRRESA-N 2 1 230.355 2.261 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000064034162 183399701 /nfs/dbraw/zinc/39/97/01/183399701.db2.gz OFLZQYXCNCHXGP-OAHLLOKOSA-N 2 1 230.355 2.262 50 0 BEAAMP Cc1ccc(C(C)C)cc1OCC[NH2+]CC[NH3+] ZINC000020118356 384574557 /nfs/dbraw/zinc/57/45/57/384574557.db2.gz HLVSZXUXJDGLOM-UHFFFAOYSA-N 2 1 236.359 2.046 50 0 BEAAMP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000100013521 384608924 /nfs/dbraw/zinc/60/89/24/384608924.db2.gz TZWXPIKAEAYGPF-ZSOGYDGISA-N 2 1 216.328 2.141 50 0 in-vitro BEAAMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000082353717 384672434 /nfs/dbraw/zinc/67/24/34/384672434.db2.gz DEDUBZVXFIONOV-QLFBSQMISA-N 2 1 230.355 2.246 50 0 BEAAMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000271479664 384735744 /nfs/dbraw/zinc/73/57/44/384735744.db2.gz ISWBWBNTMQYVEX-UKRRQHHQSA-N 2 1 247.386 2.005 50 0 BEAAMP Cc1c[nH+]c([C@H]2CC[NH2+]C2)n1Cc1ccccc1 ZINC000169676606 385416465 /nfs/dbraw/zinc/41/64/65/385416465.db2.gz YPHWXBBGZJHHNL-AWEZNQCLSA-N 2 1 241.338 2.317 50 0 BEAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000057364359 173348645 /nfs/dbraw/zinc/34/86/45/173348645.db2.gz JSPVMIWXLMDDTK-UHFFFAOYSA-N 2 1 242.750 2.048 50 0 BEAAMP C[C@@H](c1ccccn1)[N@@H+](C)CCCn1ccnc1 ZINC000096490571 176025860 /nfs/dbraw/zinc/02/58/60/176025860.db2.gz GYRHFEZQNCLEGH-ZDUSSCGKSA-N 2 1 244.342 2.361 50 0 BEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000013494791 177040216 /nfs/dbraw/zinc/04/02/16/177040216.db2.gz KNCVIVHOXNPVNM-NEPJUHHUSA-N 2 1 204.317 2.028 50 0 BEAAMP C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000026513923 177098168 /nfs/dbraw/zinc/09/81/68/177098168.db2.gz QVOYSWKQIXCAOQ-LBPRGKRZSA-N 2 1 210.365 2.108 50 0 BEAAMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH3+] ZINC000238855290 177265921 /nfs/dbraw/zinc/26/59/21/177265921.db2.gz RIEQIRVXRYJFPZ-IMRBUKKESA-N 2 1 218.344 2.102 50 0 BEAAMP CC[N@@H+](C)C1(CNc2cc[nH+]cc2)CCCC1 ZINC000534650437 323157461 /nfs/dbraw/zinc/15/74/61/323157461.db2.gz JINQPZCVCYIZCF-UHFFFAOYSA-N 2 1 233.359 2.180 50 0 BEAAMP CC[NH+]1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000000221117 342680567 /nfs/dbraw/zinc/68/05/67/342680567.db2.gz IDCHRHICSPCUPN-UHFFFAOYSA-N 2 1 236.334 2.400 50 0 BEAAMP C[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000004985511 342755685 /nfs/dbraw/zinc/75/56/85/342755685.db2.gz BEJASFNINWPLHH-UHFFFAOYSA-N 2 1 248.414 2.495 50 0 BEAAMP CC[NH+](CC)CC[C@@H]([NH3+])c1ccccc1 ZINC000012357655 342849778 /nfs/dbraw/zinc/84/97/78/342849778.db2.gz KSAIKFIIHCKXGT-CYBMUJFWSA-N 2 1 206.333 2.418 50 0 BEAAMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888328 342843935 /nfs/dbraw/zinc/84/39/35/342843935.db2.gz HGOSSJWKCUJDJZ-CQSZACIVSA-N 2 1 218.344 2.166 50 0 BEAAMP C1C[C@@H]2[C@@H](C3CCCCC3)NCC[N@H+]2C1 ZINC000022027380 343036938 /nfs/dbraw/zinc/03/69/38/343036938.db2.gz HWGJYRYPRGQACU-CHWSQXEVSA-N 2 1 208.349 2.003 50 0 BEAAMP C1C[C@@H]2[C@@H](C3CCCCC3)[NH2+]CCN2C1 ZINC000022027380 343036939 /nfs/dbraw/zinc/03/69/39/343036939.db2.gz HWGJYRYPRGQACU-CHWSQXEVSA-N 2 1 208.349 2.003 50 0 BEAAMP [NH3+]CC[NH2+]CCCSc1ccc(Cl)cc1 ZINC000039960858 343394056 /nfs/dbraw/zinc/39/40/56/343394056.db2.gz ILYVCFFOMGCXSK-UHFFFAOYSA-N 2 1 244.791 2.371 50 0 BEAAMP CC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000042783438 343453167 /nfs/dbraw/zinc/45/31/67/343453167.db2.gz XGIIETXEBPAGFH-CQSZACIVSA-N 2 1 218.344 2.118 50 0 BEAAMP C1[C@H]2C[C@H]3CCCC[N@H+]3C[C@H]2[C@H]2CCCC[NH+]12 ZINC000250941592 192370075 /nfs/dbraw/zinc/37/00/75/192370075.db2.gz ZMEWOHVYLPPUTG-KBUPBQIOSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@H]3CCCC[NH+]3C[C@H]2[C@H]2CCCC[N@H+]12 ZINC000250941592 192370078 /nfs/dbraw/zinc/37/00/78/192370078.db2.gz ZMEWOHVYLPPUTG-KBUPBQIOSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@H]3CCCC[NH+]3C[C@H]2[C@H]2CCCC[N@@H+]12 ZINC000250941592 192370079 /nfs/dbraw/zinc/37/00/79/192370079.db2.gz ZMEWOHVYLPPUTG-KBUPBQIOSA-N 2 1 234.387 2.345 50 0 BEAAMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]CCCCC1 ZINC000004166933 353269968 /nfs/dbraw/zinc/26/99/68/353269968.db2.gz KRZAPXOIWFZRHV-GFCCVEGCSA-N 2 1 223.364 2.033 50 0 BEAAMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000014007992 181582047 /nfs/dbraw/zinc/58/20/47/181582047.db2.gz DEDUBZVXFIONOV-RBSFLKMASA-N 2 1 230.355 2.246 50 0 BEAAMP Cc1ccc([C@H](C[NH3+])N2CCCC2)cc1 ZINC000095100153 384366605 /nfs/dbraw/zinc/36/66/05/384366605.db2.gz LKZLXWFCBLLWEP-ZDUSSCGKSA-N 2 1 204.317 2.091 50 0 BEAAMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000019089486 384510000 /nfs/dbraw/zinc/51/00/00/384510000.db2.gz KDPMGDIOCGIION-AWEZNQCLSA-N 2 1 218.344 2.390 50 0 BEAAMP Cc1c[nH+]c(CC[C@H]2CCC[NH2+]2)n1C(C)C ZINC000257177364 385215083 /nfs/dbraw/zinc/21/50/83/385215083.db2.gz BADXMJKJDVOGTD-GFCCVEGCSA-N 2 1 221.348 2.457 50 0 BEAAMP CNc1cc[nH+]c(NCc2cnc(C)cc2C)n1 ZINC000065451151 385311309 /nfs/dbraw/zinc/31/13/09/385311309.db2.gz RBADRZAGRAQGEI-UHFFFAOYSA-N 2 1 243.314 2.142 50 0 BEAAMP Cc1c[nH+]c([C@@H]2CC[NH2+]C2)n1Cc1ccccc1 ZINC000169676605 385417207 /nfs/dbraw/zinc/41/72/07/385417207.db2.gz YPHWXBBGZJHHNL-CQSZACIVSA-N 2 1 241.338 2.317 50 0 BEAAMP C1=C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000230279255 388365047 /nfs/dbraw/zinc/36/50/47/388365047.db2.gz HYJOOBJLHLGLBJ-IHRRRGAJSA-N 2 1 220.360 2.312 50 0 BEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261563343 135205153 /nfs/dbraw/zinc/20/51/53/135205153.db2.gz WYZQUZGEKQAROR-SNPRPXQTSA-N 2 1 230.355 2.289 50 0 BEAAMP CC1CC[NH+](C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000039706294 168183083 /nfs/dbraw/zinc/18/30/83/168183083.db2.gz QBELRXGKFSZIKU-ZDUSSCGKSA-N 2 1 210.365 2.251 50 0 BEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037644140 170007579 /nfs/dbraw/zinc/00/75/79/170007579.db2.gz VJTLIVYGFLVWLF-LBPRGKRZSA-N 2 1 236.334 2.257 50 0 BEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037644140 170007580 /nfs/dbraw/zinc/00/75/80/170007580.db2.gz VJTLIVYGFLVWLF-LBPRGKRZSA-N 2 1 236.334 2.257 50 0 BEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000037484186 170017059 /nfs/dbraw/zinc/01/70/59/170017059.db2.gz HFLCJDWLDXYTHT-LLVKDONJSA-N 2 1 224.373 2.180 50 0 BEAAMP CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004203932 170122886 /nfs/dbraw/zinc/12/28/86/170122886.db2.gz AMRNWWPARHIDHZ-CQSZACIVSA-N 2 1 218.344 2.118 50 0 BEAAMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC[NH2+]1 ZINC000039706269 176074384 /nfs/dbraw/zinc/07/43/84/176074384.db2.gz XUERXHNQQJQQJC-OLZOCXBDSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCC[NH2+]1 ZINC000039706269 176074385 /nfs/dbraw/zinc/07/43/85/176074385.db2.gz XUERXHNQQJQQJC-OLZOCXBDSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000042783358 177100238 /nfs/dbraw/zinc/10/02/38/177100238.db2.gz HWKYDYXTLASTBO-STQMWFEESA-N 2 1 210.365 2.108 50 0 BEAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H]([NH3+])[C@@H](C)[NH2+]1 ZINC000757212982 586439564 /nfs/dbraw/zinc/43/95/64/586439564.db2.gz NABNCAHDPARMLL-CDMKHQONSA-N 2 1 244.342 2.012 50 0 BEAAMP CC(C)c1[nH+]ccn1CC1CC[NH2+]CC1 ZINC000043497812 343476006 /nfs/dbraw/zinc/47/60/06/343476006.db2.gz FUKDOUCEBAOCTG-UHFFFAOYSA-N 2 1 207.321 2.006 50 0 BEAAMP [NH3+]CCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000034303903 181380119 /nfs/dbraw/zinc/38/01/19/181380119.db2.gz OUHLNBFIDZWJBT-UHFFFAOYSA-N 2 1 216.328 2.125 50 0 BEAAMP [NH3+]CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000004810992 181380331 /nfs/dbraw/zinc/38/03/31/181380331.db2.gz QJLUAFKAADLDRO-UHFFFAOYSA-N 2 1 222.332 2.373 50 0 BEAAMP [NH3+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001686946 181398429 /nfs/dbraw/zinc/39/84/29/181398429.db2.gz XBDASFGJHWAFFE-UHFFFAOYSA-N 2 1 221.691 2.259 50 0 BEAAMP Cc1cn2c3ccccc3n(CC[NH+](C)C)c2[nH+]1 ZINC000000241487 368056805 /nfs/dbraw/zinc/05/68/05/368056805.db2.gz HEZDNQYRYBZIDJ-UHFFFAOYSA-N 2 1 242.326 2.159 50 0 BEAAMP Cc1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000584899527 369046580 /nfs/dbraw/zinc/04/65/80/369046580.db2.gz FEJQFWVQCLUSDB-CYBMUJFWSA-N 2 1 247.386 2.344 50 0 BEAAMP CCCC[C@@H]1C=CC[N@H+]1CC1CC[NH2+]CC1 ZINC000067895025 372880101 /nfs/dbraw/zinc/88/01/01/372880101.db2.gz DXSDGYKXUHQALS-CQSZACIVSA-N 2 1 222.376 2.417 50 0 BEAAMP CCCn1c(C)c[nH+]c1C[C@H]1CCC[NH2+]C1 ZINC000169676616 169612419 /nfs/dbraw/zinc/61/24/19/169612419.db2.gz LNHRYHDKJPGNFN-GFCCVEGCSA-N 2 1 221.348 2.144 50 0 BEAAMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)C1CC1 ZINC000091481688 383918210 /nfs/dbraw/zinc/91/82/10/383918210.db2.gz YAYAJATUTUKEBX-LBPRGKRZSA-N 2 1 239.750 2.487 50 0 BEAAMP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000049708357 384558305 /nfs/dbraw/zinc/55/83/05/384558305.db2.gz IHQIWSDHRQUUHL-JSGCOSHPSA-N 2 1 218.344 2.116 50 0 BEAAMP C[NH2+][C@H](C[NH+]1CCCC1)C1CCCCC1 ZINC000022029099 384724512 /nfs/dbraw/zinc/72/45/12/384724512.db2.gz QHVKQGXQHOCVNK-CYBMUJFWSA-N 2 1 210.365 2.251 50 0 BEAAMP Cc1cc(C)c(C[N@H+]2CCC[NH2+]CC2)c(C)c1 ZINC000020300042 385392524 /nfs/dbraw/zinc/39/25/24/385392524.db2.gz FNKQURSLYXVLGQ-UHFFFAOYSA-N 2 1 232.371 2.407 50 0 BEAAMP CC[N@@H+](Cc1ccco1)C[C@@H]1CC[NH+](CC)C1 ZINC000065535935 170006381 /nfs/dbraw/zinc/00/63/81/170006381.db2.gz ZEPWZPCPYVRKBS-CYBMUJFWSA-N 2 1 236.359 2.443 50 0 BEAAMP CC[N@H+](Cc1ccco1)C[C@@H]1CC[NH+](CC)C1 ZINC000065535935 170006382 /nfs/dbraw/zinc/00/63/82/170006382.db2.gz ZEPWZPCPYVRKBS-CYBMUJFWSA-N 2 1 236.359 2.443 50 0 BEAAMP CC[NH+](Cc1ccco1)C[C@@H]1CC[N@H+](CC)C1 ZINC000065535935 170006383 /nfs/dbraw/zinc/00/63/83/170006383.db2.gz ZEPWZPCPYVRKBS-CYBMUJFWSA-N 2 1 236.359 2.443 50 0 BEAAMP CC[NH+](Cc1ccco1)C[C@@H]1CC[N@@H+](CC)C1 ZINC000065535935 170006384 /nfs/dbraw/zinc/00/63/84/170006384.db2.gz ZEPWZPCPYVRKBS-CYBMUJFWSA-N 2 1 236.359 2.443 50 0 BEAAMP C[C@H]1CCC[N@H+](C[C@@H]2CCCCC[NH2+]2)C1 ZINC000039706399 177100200 /nfs/dbraw/zinc/10/02/00/177100200.db2.gz QFSLEBJPMBYVAG-STQMWFEESA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC[NH2+]2)C1 ZINC000039706399 177100201 /nfs/dbraw/zinc/10/02/01/177100201.db2.gz QFSLEBJPMBYVAG-STQMWFEESA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](C)CC2)C1 ZINC000000757844 177312175 /nfs/dbraw/zinc/31/21/75/177312175.db2.gz QPFXNTIHXQIUBD-TXEJJXNPSA-N 2 1 210.365 2.059 50 0 BEAAMP C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000000757844 177312176 /nfs/dbraw/zinc/31/21/76/177312176.db2.gz QPFXNTIHXQIUBD-TXEJJXNPSA-N 2 1 210.365 2.059 50 0 BEAAMP Cc1nc2ccc(C[NH2+][C@@H]3CCCOC3)cc2[nH]1 ZINC000670437236 491105371 /nfs/dbraw/zinc/10/53/71/491105371.db2.gz IMDUMOYIMYIFHM-GFCCVEGCSA-N 2 1 245.326 2.140 50 0 BEAAMP CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000248537778 521820707 /nfs/dbraw/zinc/82/07/07/521820707.db2.gz AFKDTYBFHJPVJE-YNEHKIRRSA-N 2 1 212.381 2.495 50 0 BEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001506396971 988771909 /nfs/dbraw/zinc/77/19/09/988771909.db2.gz KSEXWGGANKLHMV-GFCCVEGCSA-N 2 1 244.342 2.019 50 0 BEAAMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000003956184 398142808 /nfs/dbraw/zinc/14/28/08/398142808.db2.gz YLMCYUHQYITSIZ-OAHLLOKOSA-N 2 1 230.355 2.262 50 0 BEAAMP C1CC[NH+]2C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC000001408502 342700112 /nfs/dbraw/zinc/70/01/12/342700112.db2.gz SLRCCWJSBJZJBV-ZQDZILKHSA-N 2 1 234.387 2.345 50 0 biogenic,in-vitro BEAAMP C1CC[N@H+]2C[C@@H]3C[C@@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1 ZINC000001408502 342700114 /nfs/dbraw/zinc/70/01/14/342700114.db2.gz SLRCCWJSBJZJBV-ZQDZILKHSA-N 2 1 234.387 2.345 50 0 biogenic,in-vitro BEAAMP C1CC[N@@H+]2C[C@@H]3C[C@@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1 ZINC000001408502 342700115 /nfs/dbraw/zinc/70/01/15/342700115.db2.gz SLRCCWJSBJZJBV-ZQDZILKHSA-N 2 1 234.387 2.345 50 0 biogenic,in-vitro BEAAMP C1=C2CCC[NH2+][C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC000005133859 342758677 /nfs/dbraw/zinc/75/86/77/342758677.db2.gz SKOLRLSBMUGVOY-GBJTYRQASA-N 2 1 232.371 2.169 50 0 biogenic,in-vitro BEAAMP C1=C2CCC[NH2+][C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC000005133859 342758679 /nfs/dbraw/zinc/75/86/79/342758679.db2.gz SKOLRLSBMUGVOY-GBJTYRQASA-N 2 1 232.371 2.169 50 0 biogenic,in-vitro BEAAMP COc1ccc([C@H](CN)[NH+]2CCC(C)CC2)cc1 ZINC000032522374 343236953 /nfs/dbraw/zinc/23/69/53/343236953.db2.gz GQYRFJTWOUTTBI-HNNXBMFYSA-N 2 1 248.370 2.427 50 0 BEAAMP CC[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000248097135 345041652 /nfs/dbraw/zinc/04/16/52/345041652.db2.gz YKMPYOXSVIFYBL-QWHCGFSZSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535413 345109327 /nfs/dbraw/zinc/10/93/27/345109327.db2.gz BCQHUTMQYWHWAV-CHWSQXEVSA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000044535413 345109329 /nfs/dbraw/zinc/10/93/29/345109329.db2.gz BCQHUTMQYWHWAV-CHWSQXEVSA-N 2 1 233.359 2.074 50 0 BEAAMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000003683510 346578463 /nfs/dbraw/zinc/57/84/63/346578463.db2.gz ZUFKXQBRAUJVJC-GFCCVEGCSA-N 2 1 210.365 2.203 50 0 BEAAMP CC[NH+]1CCC([N@H+]2CCC[C@@H](C)C2)CC1 ZINC000003683510 346578465 /nfs/dbraw/zinc/57/84/65/346578465.db2.gz ZUFKXQBRAUJVJC-GFCCVEGCSA-N 2 1 210.365 2.203 50 0 BEAAMP C1[C@H]2C[C@@H]3CCCC[N@H+]3C[C@H]2[C@H]2CCCC[NH+]12 ZINC000250941596 187396519 /nfs/dbraw/zinc/39/65/19/187396519.db2.gz ZMEWOHVYLPPUTG-LXTVHRRPSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@@H]3CCCC[NH+]3C[C@H]2[C@H]2CCCC[N@H+]12 ZINC000250941596 187396521 /nfs/dbraw/zinc/39/65/21/187396521.db2.gz ZMEWOHVYLPPUTG-LXTVHRRPSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@@H]3CCCC[NH+]3C[C@H]2[C@H]2CCCC[N@@H+]12 ZINC000250941596 187396522 /nfs/dbraw/zinc/39/65/22/187396522.db2.gz ZMEWOHVYLPPUTG-LXTVHRRPSA-N 2 1 234.387 2.345 50 0 BEAAMP [NH3+]CCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000095221238 181369927 /nfs/dbraw/zinc/36/99/27/181369927.db2.gz AEIPCPONNXJDMH-UHFFFAOYSA-N 2 1 216.328 2.168 50 0 BEAAMP CC(C)(C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067804801 384024731 /nfs/dbraw/zinc/02/47/31/384024731.db2.gz KFJKNCJBTBBZHC-ZDUSSCGKSA-N 2 1 210.365 2.108 50 0 BEAAMP c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000090225601 384035092 /nfs/dbraw/zinc/03/50/92/384035092.db2.gz XSMYNCCUVCACAS-GJZGRUSLSA-N 2 1 230.355 2.403 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000090225601 384035098 /nfs/dbraw/zinc/03/50/98/384035098.db2.gz XSMYNCCUVCACAS-GJZGRUSLSA-N 2 1 230.355 2.403 50 0 BEAAMP c1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000019488921 384525999 /nfs/dbraw/zinc/52/59/99/384525999.db2.gz BLKZEYSCTIRNNY-CYBMUJFWSA-N 2 1 230.355 2.044 50 0 BEAAMP C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000020270219 384610534 /nfs/dbraw/zinc/61/05/34/384610534.db2.gz UETMQEAPDZZSCO-AWEZNQCLSA-N 2 1 218.344 2.118 50 0 BEAAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](C/C=C/c3ccco3)C[C@H]21 ZINC000101925338 384695331 /nfs/dbraw/zinc/69/53/31/384695331.db2.gz VVDJIEIDDSSZJW-ZDENEPGRSA-N 2 1 246.354 2.032 50 0 BEAAMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000271479661 384735455 /nfs/dbraw/zinc/73/54/55/384735455.db2.gz ISWBWBNTMQYVEX-HIFRSBDPSA-N 2 1 247.386 2.005 50 0 BEAAMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000271479667 384737385 /nfs/dbraw/zinc/73/73/85/384737385.db2.gz ISWBWBNTMQYVEX-ZFWWWQNUSA-N 2 1 247.386 2.005 50 0 BEAAMP CSCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055413663 384883773 /nfs/dbraw/zinc/88/37/73/384883773.db2.gz JWYUFTDWMBCDDQ-QWHCGFSZSA-N 2 1 242.432 2.204 50 0 BEAAMP C[NH+](C)[C@H](C[NH2+]C(C1CC1)C1CC1)C1CC1 ZINC000089313860 387296379 /nfs/dbraw/zinc/29/63/79/387296379.db2.gz DYGRBAJPFWJWTB-CYBMUJFWSA-N 2 1 222.376 2.105 50 0 BEAAMP C[N@H+](CC1=CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC000426513659 387577873 /nfs/dbraw/zinc/57/78/73/387577873.db2.gz OKNUAZNJOXCHRP-AWEZNQCLSA-N 2 1 222.376 2.418 50 0 BEAAMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000095420556 388769007 /nfs/dbraw/zinc/76/90/07/388769007.db2.gz MHYOZZSVDXYXMW-CMPLNLGQSA-N 2 1 212.381 2.351 50 0 BEAAMP C[N@H+]1CCc2ccccc2[C@H]1C1CC[NH2+]CC1 ZINC000004043902 173172267 /nfs/dbraw/zinc/17/22/67/173172267.db2.gz PZHSWXZQRBFJRO-OAHLLOKOSA-N 2 1 230.355 2.215 50 0 biogenic BEAAMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000026513927 176070581 /nfs/dbraw/zinc/07/05/81/176070581.db2.gz KLTZAMHUSRKUGQ-GFCCVEGCSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000095420554 176857373 /nfs/dbraw/zinc/85/73/73/176857373.db2.gz MHYOZZSVDXYXMW-JQWIXIFHSA-N 2 1 212.381 2.351 50 0 BEAAMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC[NH2+]1 ZINC000039706270 177077330 /nfs/dbraw/zinc/07/73/30/177077330.db2.gz XUERXHNQQJQQJC-STQMWFEESA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCCC[NH2+]1 ZINC000039706270 177077334 /nfs/dbraw/zinc/07/73/34/177077334.db2.gz XUERXHNQQJQQJC-STQMWFEESA-N 2 1 210.365 2.393 50 0 BEAAMP Cn1ccnc1CC[N@H+]1CCC2(CCCC2)C1 ZINC001506398674 988776116 /nfs/dbraw/zinc/77/61/16/988776116.db2.gz QDEBLKPQBRKKKR-UHFFFAOYSA-N 2 1 233.359 2.229 50 0 BEAAMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2C)CC1 ZINC000003683566 342736626 /nfs/dbraw/zinc/73/66/26/342736626.db2.gz VSIQLVWXDDPOBL-GFCCVEGCSA-N 2 1 210.365 2.345 50 0 BEAAMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2C)CC1 ZINC000003683566 342736628 /nfs/dbraw/zinc/73/66/28/342736628.db2.gz VSIQLVWXDDPOBL-GFCCVEGCSA-N 2 1 210.365 2.345 50 0 BEAAMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000014008000 342875661 /nfs/dbraw/zinc/87/56/61/342875661.db2.gz DEDUBZVXFIONOV-RRFJBIMHSA-N 2 1 230.355 2.246 50 0 BEAAMP Cc1ccc2[nH]c(CCC[NH3+])[nH+]c2c1C ZINC000019737147 342955911 /nfs/dbraw/zinc/95/59/11/342955911.db2.gz JAYAETBUIDWSOJ-UHFFFAOYSA-N 2 1 203.289 2.071 50 0 BEAAMP CC[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000020270229 342979651 /nfs/dbraw/zinc/97/96/51/342979651.db2.gz YKMPYOXSVIFYBL-OLZOCXBDSA-N 2 1 210.365 2.251 50 0 BEAAMP CC[C@@H](c1ccccn1)[N@H+](C)C1CC[NH2+]CC1 ZINC000067840824 343905979 /nfs/dbraw/zinc/90/59/79/343905979.db2.gz YNIMTQMQSYAINY-AWEZNQCLSA-N 2 1 233.359 2.217 50 0 BEAAMP CC[C@@H](c1ccccn1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000067840824 343905981 /nfs/dbraw/zinc/90/59/81/343905981.db2.gz YNIMTQMQSYAINY-AWEZNQCLSA-N 2 1 233.359 2.217 50 0 BEAAMP [NH3+]C[C@@H]1C[N@@H+](CC2CC2)CC12CCCCC2 ZINC000409419539 344965941 /nfs/dbraw/zinc/96/59/41/344965941.db2.gz YXBJPISJHYUCMI-CYBMUJFWSA-N 2 1 222.376 2.237 50 0 BEAAMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000000351651 191108983 /nfs/dbraw/zinc/10/89/83/191108983.db2.gz JGYPHXHSHDDFRM-OAHLLOKOSA-N 2 1 230.355 2.214 50 0 BEAAMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000000351651 191108985 /nfs/dbraw/zinc/10/89/85/191108985.db2.gz JGYPHXHSHDDFRM-OAHLLOKOSA-N 2 1 230.355 2.214 50 0 BEAAMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000000351651 191108987 /nfs/dbraw/zinc/10/89/87/191108987.db2.gz JGYPHXHSHDDFRM-OAHLLOKOSA-N 2 1 230.355 2.214 50 0 BEAAMP CCSC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426563250 206050498 /nfs/dbraw/zinc/05/04/98/206050498.db2.gz PWEOCNKSAQZQRY-LBPRGKRZSA-N 2 1 242.432 2.204 50 0 BEAAMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000000798513 383880728 /nfs/dbraw/zinc/88/07/28/383880728.db2.gz FZLJYZIIGQDRRX-GFCCVEGCSA-N 2 1 218.344 2.431 50 0 BEAAMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000004569266 384070094 /nfs/dbraw/zinc/07/00/94/384070094.db2.gz FZLJYZIIGQDRRX-LBPRGKRZSA-N 2 1 218.344 2.431 50 0 BEAAMP C[C@@H]([NH3+])[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000038338641 384081785 /nfs/dbraw/zinc/08/17/85/384081785.db2.gz CNACIQJCVBJSFL-DGCLKSJQSA-N 2 1 204.317 2.171 50 0 BEAAMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1C=CCCC1 ZINC000071915662 384191494 /nfs/dbraw/zinc/19/14/94/384191494.db2.gz BHQMRKSFVDJVDO-AWEZNQCLSA-N 2 1 222.376 2.369 50 0 BEAAMP c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000042783379 384244914 /nfs/dbraw/zinc/24/49/14/384244914.db2.gz ZWSWMTUJAXTPMR-AWEZNQCLSA-N 2 1 244.382 2.434 50 0 BEAAMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000020270218 384609449 /nfs/dbraw/zinc/60/94/49/384609449.db2.gz UETMQEAPDZZSCO-CQSZACIVSA-N 2 1 218.344 2.118 50 0 BEAAMP C([NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000524731976 388679938 /nfs/dbraw/zinc/67/99/38/388679938.db2.gz RKELDYSPHUYTON-UONOGXRCSA-N 2 1 222.376 2.251 50 0 biogenic BEAAMP CC(C)=CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000095981748 388800227 /nfs/dbraw/zinc/80/02/27/388800227.db2.gz ITNLFPCXTILQHL-UHFFFAOYSA-N 2 1 221.348 2.480 50 0 BEAAMP CC(C)=CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000095981748 388800229 /nfs/dbraw/zinc/80/02/29/388800229.db2.gz ITNLFPCXTILQHL-UHFFFAOYSA-N 2 1 221.348 2.480 50 0 BEAAMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000261530942 135158833 /nfs/dbraw/zinc/15/88/33/135158833.db2.gz DPBUPLVEHQIOMM-SRVKXCTJSA-N 2 1 206.333 2.381 50 0 BEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261563341 135205646 /nfs/dbraw/zinc/20/56/46/135205646.db2.gz WYZQUZGEKQAROR-BPLDGKMQSA-N 2 1 230.355 2.289 50 0 BEAAMP CC(C)[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000216609910 167115295 /nfs/dbraw/zinc/11/52/95/167115295.db2.gz HJRYJEQUBFLNGH-OLZOCXBDSA-N 2 1 210.365 2.249 50 0 BEAAMP CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000097109856 171365071 /nfs/dbraw/zinc/36/50/71/171365071.db2.gz AFKDTYBFHJPVJE-XQQFMLRXSA-N 2 1 212.381 2.495 50 0 BEAAMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000016124131 173042494 /nfs/dbraw/zinc/04/24/94/173042494.db2.gz KIDUZWFJBRQQDB-LLVKDONJSA-N 2 1 224.373 2.180 50 0 BEAAMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccccc1)C2 ZINC000000027586 173207509 /nfs/dbraw/zinc/20/75/09/173207509.db2.gz NIFBNIANYCOETB-MQVJKMGUSA-N 2 1 244.382 2.444 50 0 BEAAMP C[C@@H]1CCCC[N@H+]1C1CN(c2cc[nH+]cc2)C1 ZINC000077455111 176069036 /nfs/dbraw/zinc/06/90/36/176069036.db2.gz IKNHOOVJGLTAGF-GFCCVEGCSA-N 2 1 231.343 2.145 50 0 BEAAMP C[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH2+]CC2)[C@@H]1C ZINC000032917454 176120407 /nfs/dbraw/zinc/12/04/07/176120407.db2.gz RQQVPELTBHOUKM-YRGRVCCFSA-N 2 1 224.392 2.495 50 0 BEAAMP C[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH2+]CC1 ZINC000032917439 177087092 /nfs/dbraw/zinc/08/70/92/177087092.db2.gz FIAARWJTQYTEFE-WCQYABFASA-N 2 1 210.365 2.249 50 0 BEAAMP C[C@@H]1C[C@@H]([NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000238856378 177364994 /nfs/dbraw/zinc/36/49/94/177364994.db2.gz VVQHCVRZYPYZNW-DABQJJPHSA-N 2 1 218.344 2.387 50 0 BEAAMP CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000248537777 521936288 /nfs/dbraw/zinc/93/62/88/521936288.db2.gz AFKDTYBFHJPVJE-RWMBFGLXSA-N 2 1 212.381 2.495 50 0 BEAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H]([NH3+])[C@@H](C)[NH2+]1 ZINC000757212986 582560652 /nfs/dbraw/zinc/56/06/52/582560652.db2.gz NABNCAHDPARMLL-XWIASGKRSA-N 2 1 244.342 2.012 50 0 BEAAMP C[NH+]1CCC([NH+]2CCCCCCC2)CC1 ZINC000000279660 635136129 /nfs/dbraw/zinc/13/61/29/635136129.db2.gz CJYZWHGIWOAHMY-UHFFFAOYSA-N 2 1 210.365 2.347 50 0 BEAAMP CC[C@@H]1CCC[N@@H+](CCc2nccn2C)CC1 ZINC000822722749 968533999 /nfs/dbraw/zinc/53/39/99/968533999.db2.gz UJOFAHKOVRCGMF-CYBMUJFWSA-N 2 1 235.375 2.475 50 0 BEAAMP CC(C)(C)C[N@H+]1CC[C@H](C2CC[NH2+]CC2)C1 ZINC000071764670 398159035 /nfs/dbraw/zinc/15/90/35/398159035.db2.gz ZZUVBTOBYUELJY-ZDUSSCGKSA-N 2 1 224.392 2.354 50 0 BEAAMP CC[C@@H](F)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000241466058 398160980 /nfs/dbraw/zinc/16/09/80/398160980.db2.gz NUIMFCLIWQRQAQ-GFCCVEGCSA-N 2 1 227.327 2.262 50 0 BEAAMP CC[C@@H](F)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000241466058 398160983 /nfs/dbraw/zinc/16/09/83/398160983.db2.gz NUIMFCLIWQRQAQ-GFCCVEGCSA-N 2 1 227.327 2.262 50 0 BEAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH3+])cc1 ZINC000019872912 342960475 /nfs/dbraw/zinc/96/04/75/342960475.db2.gz WPLSPYJGWHJRPP-VIFPVBQESA-N 2 1 201.273 2.200 50 0 BEAAMP CC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000020138875 342971854 /nfs/dbraw/zinc/97/18/54/342971854.db2.gz FFNDHYTUTXELJB-UHFFFAOYSA-N 2 1 224.373 2.322 50 0 BEAAMP CC(C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCCCC2 ZINC000409419699 344965878 /nfs/dbraw/zinc/96/58/78/344965878.db2.gz SGADROUBVGXYFM-GFCCVEGCSA-N 2 1 210.365 2.236 50 0 BEAAMP Cc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000097772953 179077100 /nfs/dbraw/zinc/07/71/00/179077100.db2.gz NXVZMKOLIDHMAT-HNNXBMFYSA-N 2 1 247.386 2.306 50 0 BEAAMP Cc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000097772953 179077104 /nfs/dbraw/zinc/07/71/04/179077104.db2.gz NXVZMKOLIDHMAT-HNNXBMFYSA-N 2 1 247.386 2.306 50 0 BEAAMP CC(C)SCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000308797784 323172073 /nfs/dbraw/zinc/17/20/73/323172073.db2.gz LFWPJIQHHAEEIN-LBPRGKRZSA-N 2 1 230.421 2.059 50 0 BEAAMP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cs1 ZINC000160366420 183347269 /nfs/dbraw/zinc/34/72/69/183347269.db2.gz ORVRUOUSCYOYQW-OLZOCXBDSA-N 2 1 236.384 2.322 50 0 BEAAMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cs1 ZINC000160366420 183347270 /nfs/dbraw/zinc/34/72/70/183347270.db2.gz ORVRUOUSCYOYQW-OLZOCXBDSA-N 2 1 236.384 2.322 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000064034164 183398240 /nfs/dbraw/zinc/39/82/40/183398240.db2.gz OFLZQYXCNCHXGP-HNNXBMFYSA-N 2 1 230.355 2.262 50 0 BEAAMP [NH3+]CC[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069626485 384052403 /nfs/dbraw/zinc/05/24/03/384052403.db2.gz KAVWBYRANWAVMU-GFCCVEGCSA-N 2 1 210.365 2.380 50 0 BEAAMP C[C@@H]([NH3+])[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000038338636 384081264 /nfs/dbraw/zinc/08/12/64/384081264.db2.gz CNACIQJCVBJSFL-YPMHNXCESA-N 2 1 204.317 2.171 50 0 BEAAMP c1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000019488920 384525738 /nfs/dbraw/zinc/52/57/38/384525738.db2.gz BLKZEYSCTIRNNY-ZDUSSCGKSA-N 2 1 230.355 2.044 50 0 BEAAMP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000049708377 384558042 /nfs/dbraw/zinc/55/80/42/384558042.db2.gz STCVCYHAQNLPFA-JSGCOSHPSA-N 2 1 218.344 2.259 50 0 BEAAMP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000049708355 384558415 /nfs/dbraw/zinc/55/84/15/384558415.db2.gz IHQIWSDHRQUUHL-OCCSQVGLSA-N 2 1 218.344 2.116 50 0 BEAAMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000100276334 384630274 /nfs/dbraw/zinc/63/02/74/384630274.db2.gz IHQIWSDHRQUUHL-GXTWGEPZSA-N 2 1 218.344 2.116 50 0 BEAAMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535407 384776069 /nfs/dbraw/zinc/77/60/69/384776069.db2.gz BCQHUTMQYWHWAV-STQMWFEESA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000044535407 384776071 /nfs/dbraw/zinc/77/60/71/384776071.db2.gz BCQHUTMQYWHWAV-STQMWFEESA-N 2 1 233.359 2.074 50 0 BEAAMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000008582093 385262142 /nfs/dbraw/zinc/26/21/42/385262142.db2.gz YLMCYUHQYITSIZ-HNNXBMFYSA-N 2 1 230.355 2.262 50 0 BEAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CCC[NH2+]C1 ZINC000169676615 385416382 /nfs/dbraw/zinc/41/63/82/385416382.db2.gz LNHRYHDKJPGNFN-LBPRGKRZSA-N 2 1 221.348 2.144 50 0 BEAAMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)oc1C ZINC000067867823 386728258 /nfs/dbraw/zinc/72/82/58/386728258.db2.gz NUHIKOQXEAABIR-UHFFFAOYSA-N 2 1 248.370 2.472 50 0 BEAAMP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000089917910 387188121 /nfs/dbraw/zinc/18/81/21/387188121.db2.gz WAKSRYDKPRPRLH-LBPRGKRZSA-N 2 1 240.391 2.016 50 0 BEAAMP CC(C)(C)NC1=[NH+]CCC[NH2+]C12CCCCC2 ZINC000075567141 387293208 /nfs/dbraw/zinc/29/32/08/387293208.db2.gz DYIOTAUSWVYJFE-UHFFFAOYSA-N 2 1 237.391 2.469 50 0 BEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000037484187 170008582 /nfs/dbraw/zinc/00/85/82/170008582.db2.gz HFLCJDWLDXYTHT-NSHDSACASA-N 2 1 224.373 2.180 50 0 BEAAMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364610349 171388703 /nfs/dbraw/zinc/38/87/03/171388703.db2.gz WGIFPMRHBQYOPK-RWMBFGLXSA-N 2 1 235.375 2.470 50 0 BEAAMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000053034635 173382121 /nfs/dbraw/zinc/38/21/21/173382121.db2.gz CRDDNNOVRLXICC-LLVKDONJSA-N 2 1 224.373 2.098 50 0 BEAAMP C[C@H]1CCCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180472 177075484 /nfs/dbraw/zinc/07/54/84/177075484.db2.gz MFXXXBLYRBZJGN-STQMWFEESA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCCC[NH2+]1 ZINC000239433501 177077508 /nfs/dbraw/zinc/07/75/08/177077508.db2.gz XUERXHNQQJQQJC-QWHCGFSZSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCCC[NH2+]1 ZINC000239433501 177077511 /nfs/dbraw/zinc/07/75/11/177077511.db2.gz XUERXHNQQJQQJC-QWHCGFSZSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH3+])C1 ZINC000021953073 177101379 /nfs/dbraw/zinc/10/13/79/177101379.db2.gz IVLIBJFMPDKULN-LBPRGKRZSA-N 2 1 218.344 2.377 50 0 BEAAMP C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](C)CC2)C1 ZINC000002498917 177357568 /nfs/dbraw/zinc/35/75/68/177357568.db2.gz QPFXNTIHXQIUBD-RYUDHWBXSA-N 2 1 210.365 2.059 50 0 BEAAMP Cc1nc2ccc(C[NH2+][C@H]3CCCOC3)cc2[nH]1 ZINC000670437237 491105319 /nfs/dbraw/zinc/10/53/19/491105319.db2.gz IMDUMOYIMYIFHM-LBPRGKRZSA-N 2 1 245.326 2.140 50 0 BEAAMP FC(F)(F)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000825679700 968653851 /nfs/dbraw/zinc/65/38/51/968653851.db2.gz RWSWJCUMRPYFDV-DTIDVZRVSA-N 2 1 248.292 2.011 50 0 BEAAMP FC(F)(F)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000825679700 968653856 /nfs/dbraw/zinc/65/38/56/968653856.db2.gz RWSWJCUMRPYFDV-DTIDVZRVSA-N 2 1 248.292 2.011 50 0 BEAAMP Cc1ccsc1C[N@H+](C)CCc1nccn1C ZINC001506404409 988774276 /nfs/dbraw/zinc/77/42/76/988774276.db2.gz XSRUZMGERDFWAX-UHFFFAOYSA-N 2 1 249.383 2.465 50 0 BEAAMP C[N@@H+](CCCCCF)C[C@@]1(C)CC[NH+](C)C1 ZINC001529151977 990334320 /nfs/dbraw/zinc/33/43/20/990334320.db2.gz IGFFXPBNBKPMIV-CYBMUJFWSA-N 2 1 230.371 2.400 50 0 BEAAMP C[NH+](CCCCCF)C[C@@]1(C)CC[N@H+](C)C1 ZINC001529151977 990334326 /nfs/dbraw/zinc/33/43/26/990334326.db2.gz IGFFXPBNBKPMIV-CYBMUJFWSA-N 2 1 230.371 2.400 50 0 BEAAMP C[NH+](CCCCCF)C[C@@]1(C)CC[N@@H+](C)C1 ZINC001529151977 990334329 /nfs/dbraw/zinc/33/43/29/990334329.db2.gz IGFFXPBNBKPMIV-CYBMUJFWSA-N 2 1 230.371 2.400 50 0 BEAAMP [NH3+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000014008001 342875584 /nfs/dbraw/zinc/87/55/84/342875584.db2.gz DEDUBZVXFIONOV-ZNMIVQPWSA-N 2 1 230.355 2.246 50 0 BEAAMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)s1 ZINC000037248660 342925481 /nfs/dbraw/zinc/92/54/81/342925481.db2.gz SOVDOENKIIKNLW-UHFFFAOYSA-N 2 1 224.373 2.240 50 0 BEAAMP [NH3+][C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019735527 342955470 /nfs/dbraw/zinc/95/54/70/342955470.db2.gz FMZXIQOBASQCON-AWEZNQCLSA-N 2 1 218.344 2.042 50 0 BEAAMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019735527 342955471 /nfs/dbraw/zinc/95/54/71/342955471.db2.gz FMZXIQOBASQCON-AWEZNQCLSA-N 2 1 218.344 2.042 50 0 BEAAMP C[C@H]([NH3+])[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000038338638 343373709 /nfs/dbraw/zinc/37/37/09/343373709.db2.gz CNACIQJCVBJSFL-WCQYABFASA-N 2 1 204.317 2.171 50 0 BEAAMP [NH3+]C[C@H]1C[N@@H+](CC2CC2)CC12CCCCC2 ZINC000409419540 344965909 /nfs/dbraw/zinc/96/59/09/344965909.db2.gz YXBJPISJHYUCMI-ZDUSSCGKSA-N 2 1 222.376 2.237 50 0 BEAAMP C1CC[NH+]2C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC000000156956 188096496 /nfs/dbraw/zinc/09/64/96/188096496.db2.gz SLRCCWJSBJZJBV-TUVASFSCSA-N 2 1 234.387 2.345 50 0 biogenic,in-man BEAAMP C1CC[N@H+]2C[C@H]3C[C@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1 ZINC000000156956 188096497 /nfs/dbraw/zinc/09/64/97/188096497.db2.gz SLRCCWJSBJZJBV-TUVASFSCSA-N 2 1 234.387 2.345 50 0 biogenic,in-man BEAAMP c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000101271516 368381774 /nfs/dbraw/zinc/38/17/74/368381774.db2.gz XSMYNCCUVCACAS-CABCVRRESA-N 2 1 230.355 2.403 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000101271516 368381779 /nfs/dbraw/zinc/38/17/79/368381779.db2.gz XSMYNCCUVCACAS-CABCVRRESA-N 2 1 230.355 2.403 50 0 BEAAMP CCC[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170622846 169264531 /nfs/dbraw/zinc/26/45/31/169264531.db2.gz ZFTMSBRKTZIYBZ-OLZOCXBDSA-N 2 1 210.365 2.251 50 0 BEAAMP c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729012 183393836 /nfs/dbraw/zinc/39/38/36/183393836.db2.gz DDDAPRBYVQIKCF-CVEARBPZSA-N 2 1 244.382 2.303 50 0 BEAAMP CC[C@H](c1ccccn1)[N@H+](C)C1CC[NH2+]CC1 ZINC000067840827 383949590 /nfs/dbraw/zinc/94/95/90/383949590.db2.gz YNIMTQMQSYAINY-CQSZACIVSA-N 2 1 233.359 2.217 50 0 BEAAMP CC[C@H](c1ccccn1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000067840827 383949594 /nfs/dbraw/zinc/94/95/94/383949594.db2.gz YNIMTQMQSYAINY-CQSZACIVSA-N 2 1 233.359 2.217 50 0 BEAAMP CC(C)(C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067804802 384025681 /nfs/dbraw/zinc/02/56/81/384025681.db2.gz KFJKNCJBTBBZHC-CYBMUJFWSA-N 2 1 210.365 2.108 50 0 BEAAMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000097165791 384388637 /nfs/dbraw/zinc/38/86/37/384388637.db2.gz STHREKKEZYPTTF-RBSFLKMASA-N 2 1 248.345 2.495 50 0 BEAAMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000097165791 384388644 /nfs/dbraw/zinc/38/86/44/384388644.db2.gz STHREKKEZYPTTF-RBSFLKMASA-N 2 1 248.345 2.495 50 0 BEAAMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708373 384558756 /nfs/dbraw/zinc/55/87/56/384558756.db2.gz STCVCYHAQNLPFA-TZMCWYRMSA-N 2 1 218.344 2.259 50 0 BEAAMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011888296 387251457 /nfs/dbraw/zinc/25/14/57/387251457.db2.gz KAWFFENPODGNHL-ZDUSSCGKSA-N 2 1 210.365 2.237 50 0 BEAAMP C[C@@H]1CCC[C@H]([N@@H+](C)C2CC[NH2+]CC2)[C@H]1C ZINC000242649006 387937223 /nfs/dbraw/zinc/93/72/23/387937223.db2.gz RQQVPELTBHOUKM-DYEKYZERSA-N 2 1 224.392 2.495 50 0 BEAAMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000065498359 388018712 /nfs/dbraw/zinc/01/87/12/388018712.db2.gz VCZQLEOXZXJBCG-GLNPCMGASA-N 2 1 230.355 2.371 50 0 BEAAMP CC(C)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000160377606 388060224 /nfs/dbraw/zinc/06/02/24/388060224.db2.gz QOFSURIPVBSVAS-CHWSQXEVSA-N 2 1 210.365 2.106 50 0 BEAAMP [NH3+]C1CCN(c2cc[nH+]c3ccc(F)cc32)CC1 ZINC000073738561 132303574 /nfs/dbraw/zinc/30/35/74/132303574.db2.gz BFSYENGIWIXLIK-UHFFFAOYSA-N 2 1 245.301 2.301 50 0 BEAAMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000196570962 397911276 /nfs/dbraw/zinc/91/12/76/397911276.db2.gz GKDRMOQJXZGUAV-AWEZNQCLSA-N 2 1 218.344 2.247 50 0 BEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC)C1 ZINC000037643768 170007759 /nfs/dbraw/zinc/00/77/59/170007759.db2.gz ILJDMCMAPJBVRB-ZDUSSCGKSA-N 2 1 248.370 2.127 50 0 BEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC)C1 ZINC000037643768 170007762 /nfs/dbraw/zinc/00/77/62/170007762.db2.gz ILJDMCMAPJBVRB-ZDUSSCGKSA-N 2 1 248.370 2.127 50 0 BEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC000037643757 170016631 /nfs/dbraw/zinc/01/66/31/170016631.db2.gz SDURYEWUMWAFRU-CQSZACIVSA-N 2 1 248.370 2.127 50 0 BEAAMP CC[C@H](C)[N@@H+](CCC[NH3+])Cc1ccco1 ZINC000032919828 171314182 /nfs/dbraw/zinc/31/41/82/171314182.db2.gz BRHMWGXNPMZNON-NSHDSACASA-N 2 1 210.321 2.229 50 0 BEAAMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000013494793 176022354 /nfs/dbraw/zinc/02/23/54/176022354.db2.gz KNCVIVHOXNPVNM-RYUDHWBXSA-N 2 1 204.317 2.028 50 0 BEAAMP C[C@@H]1CCCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC000248026293 176072074 /nfs/dbraw/zinc/07/20/74/176072074.db2.gz MFXXXBLYRBZJGN-CHWSQXEVSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC000020180474 176097761 /nfs/dbraw/zinc/09/77/61/176097761.db2.gz TXMHJKJXMIMJLR-OLZOCXBDSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000020284043 176100466 /nfs/dbraw/zinc/10/04/66/176100466.db2.gz NVPRDRGHQMCFOS-GFCCVEGCSA-N 2 1 218.344 2.377 50 0 BEAAMP C[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000248098807 177077238 /nfs/dbraw/zinc/07/72/38/177077238.db2.gz ZMUWLWCDNLMCJL-QWHCGFSZSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783356 177077421 /nfs/dbraw/zinc/07/74/21/177077421.db2.gz ZMUWLWCDNLMCJL-STQMWFEESA-N 2 1 210.365 2.251 50 0 BEAAMP Cc1cnccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000244673607 526229088 /nfs/dbraw/zinc/22/90/88/526229088.db2.gz HSGUNNDATIXXOD-OAHLLOKOSA-N 2 1 247.386 2.306 50 0 BEAAMP Cc1cnccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000244673607 526229092 /nfs/dbraw/zinc/22/90/92/526229092.db2.gz HSGUNNDATIXXOD-OAHLLOKOSA-N 2 1 247.386 2.306 50 0 BEAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H]([NH3+])[C@@H](C)[NH2+]1 ZINC000757208782 586437995 /nfs/dbraw/zinc/43/79/95/586437995.db2.gz DJFSCOWBYFKTHE-WQAKAFBOSA-N 2 1 244.342 2.012 50 0 BEAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H]([NH3+])[C@H](C)[NH2+]1 ZINC000757212983 586439248 /nfs/dbraw/zinc/43/92/48/586439248.db2.gz NABNCAHDPARMLL-GAFUQQFSSA-N 2 1 244.342 2.012 50 0 BEAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H]([NH3+])[C@H](C)[NH2+]1 ZINC000757212984 586439551 /nfs/dbraw/zinc/43/95/51/586439551.db2.gz NABNCAHDPARMLL-NDMJEZRESA-N 2 1 244.342 2.012 50 0 BEAAMP CC[NH+](CC)CC[C@H]([NH3+])c1ccccc1 ZINC000002538807 342723374 /nfs/dbraw/zinc/72/33/74/342723374.db2.gz KSAIKFIIHCKXGT-ZDUSSCGKSA-N 2 1 206.333 2.418 50 0 BEAAMP [NH3+][C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019735526 342955350 /nfs/dbraw/zinc/95/53/50/342955350.db2.gz FMZXIQOBASQCON-CQSZACIVSA-N 2 1 218.344 2.042 50 0 BEAAMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019735526 342955352 /nfs/dbraw/zinc/95/53/52/342955352.db2.gz FMZXIQOBASQCON-CQSZACIVSA-N 2 1 218.344 2.042 50 0 BEAAMP C1C[C@H]2[C@@H](C3CCCCC3)[NH2+]CCN2C1 ZINC000022456083 343049310 /nfs/dbraw/zinc/04/93/10/343049310.db2.gz HWGJYRYPRGQACU-QWHCGFSZSA-N 2 1 208.349 2.003 50 0 BEAAMP CC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000037083507 343333257 /nfs/dbraw/zinc/33/32/57/343333257.db2.gz YMMDTACRTPLXLJ-CYBMUJFWSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H]([NH3+])[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000038338634 343373759 /nfs/dbraw/zinc/37/37/59/343373759.db2.gz CNACIQJCVBJSFL-AAEUAGOBSA-N 2 1 204.317 2.171 50 0 BEAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)C(F)(F)F ZINC000216240425 180251726 /nfs/dbraw/zinc/25/17/26/180251726.db2.gz YKJUKQVPAIZEAW-SECBINFHSA-N 2 1 249.280 2.322 50 0 BEAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)C(F)(F)F ZINC000216240425 180251728 /nfs/dbraw/zinc/25/17/28/180251728.db2.gz YKJUKQVPAIZEAW-SECBINFHSA-N 2 1 249.280 2.322 50 0 BEAAMP Cc1ccc2[nH+]c(C)c3c(c2c1)O[C@H](C[NH3+])C3 ZINC000024983769 350511939 /nfs/dbraw/zinc/51/19/39/350511939.db2.gz PAADGCQBAKUTIP-JTQLQIEISA-N 2 1 228.295 2.114 50 0 BEAAMP CCC[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000037756703 535158135 /nfs/dbraw/zinc/15/81/35/535158135.db2.gz ZOTPPWKZZNOSMG-UHFFFAOYSA-N 2 1 248.374 2.062 50 0 BEAAMP C[C@H](C[NH2+]Cc1cccnc1)C[NH+]1CCCCC1 ZINC000037997552 361094926 /nfs/dbraw/zinc/09/49/26/361094926.db2.gz OMEXQXIGXFRUOM-CQSZACIVSA-N 2 1 247.386 2.293 50 0 BEAAMP c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC000044068892 183396635 /nfs/dbraw/zinc/39/66/35/183396635.db2.gz SFMBBIDDGLYJEU-UHFFFAOYSA-N 2 1 230.355 2.405 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000083328865 183397927 /nfs/dbraw/zinc/39/79/27/183397927.db2.gz TZOUPQXQHUBGOP-LSDHHAIUSA-N 2 1 230.355 2.261 50 0 BEAAMP CC1(C)CC([NH2+]Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000000798146 383879662 /nfs/dbraw/zinc/87/96/62/383879662.db2.gz XOAGOZCLOXAUSV-UHFFFAOYSA-N 2 1 247.386 2.480 50 0 BEAAMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000000802054 383880381 /nfs/dbraw/zinc/88/03/81/383880381.db2.gz UMEYLXKJXCYVOF-GFCCVEGCSA-N 2 1 248.370 2.440 50 0 BEAAMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)C1CC1 ZINC000091481691 383917671 /nfs/dbraw/zinc/91/76/71/383917671.db2.gz YAYAJATUTUKEBX-GFCCVEGCSA-N 2 1 239.750 2.487 50 0 BEAAMP Cc1ccc([C@@H](C[NH3+])N2CCCC2)cc1 ZINC000095100152 384365650 /nfs/dbraw/zinc/36/56/50/384365650.db2.gz LKZLXWFCBLLWEP-CYBMUJFWSA-N 2 1 204.317 2.091 50 0 BEAAMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000097165788 384389024 /nfs/dbraw/zinc/38/90/24/384389024.db2.gz STHREKKEZYPTTF-ILXRZTDVSA-N 2 1 248.345 2.495 50 0 BEAAMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000097165788 384389031 /nfs/dbraw/zinc/38/90/31/384389031.db2.gz STHREKKEZYPTTF-ILXRZTDVSA-N 2 1 248.345 2.495 50 0 BEAAMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000097165789 384389234 /nfs/dbraw/zinc/38/92/34/384389234.db2.gz STHREKKEZYPTTF-KFWWJZLASA-N 2 1 248.345 2.495 50 0 BEAAMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000097165789 384389237 /nfs/dbraw/zinc/38/92/37/384389237.db2.gz STHREKKEZYPTTF-KFWWJZLASA-N 2 1 248.345 2.495 50 0 BEAAMP c1cncc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020128728 384580782 /nfs/dbraw/zinc/58/07/82/384580782.db2.gz YDXPMPYDTWESDK-UHFFFAOYSA-N 2 1 233.359 2.047 50 0 BEAAMP Cc1c[nH+]c(C[C@@H]2CCC[NH2+]C2)n1C(C)C ZINC000169676619 385416969 /nfs/dbraw/zinc/41/69/69/385416969.db2.gz OGWPVBVLEHTHJZ-LBPRGKRZSA-N 2 1 221.348 2.315 50 0 BEAAMP C[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH2+]CC2)[C@H]1C ZINC000242649007 387937810 /nfs/dbraw/zinc/93/78/10/387937810.db2.gz RQQVPELTBHOUKM-MBNYWOFBSA-N 2 1 224.392 2.495 50 0 BEAAMP Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000261530944 135158650 /nfs/dbraw/zinc/15/86/50/135158650.db2.gz DPBUPLVEHQIOMM-UTUOFQBUSA-N 2 1 206.333 2.381 50 0 BEAAMP CC(C)[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079124028 167113084 /nfs/dbraw/zinc/11/30/84/167113084.db2.gz HJRYJEQUBFLNGH-QWHCGFSZSA-N 2 1 210.365 2.249 50 0 biogenic BEAAMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCC[NH2+]1 ZINC000239433500 176073749 /nfs/dbraw/zinc/07/37/49/176073749.db2.gz XUERXHNQQJQQJC-CHWSQXEVSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCCC[NH2+]1 ZINC000239433500 176073751 /nfs/dbraw/zinc/07/37/51/176073751.db2.gz XUERXHNQQJQQJC-CHWSQXEVSA-N 2 1 210.365 2.393 50 0 BEAAMP C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000000182128 176087349 /nfs/dbraw/zinc/08/73/49/176087349.db2.gz DCJHMQGYKZDCAZ-DGCLKSJQSA-N 2 1 210.365 2.249 50 0 BEAAMP C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](C)CC2)C1 ZINC000000757845 176361126 /nfs/dbraw/zinc/36/11/26/176361126.db2.gz QPFXNTIHXQIUBD-VXGBXAGGSA-N 2 1 210.365 2.059 50 0 BEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000004810750 177039639 /nfs/dbraw/zinc/03/96/39/177039639.db2.gz KNCVIVHOXNPVNM-VXGBXAGGSA-N 2 1 204.317 2.028 50 0 BEAAMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC000239761368 524890380 /nfs/dbraw/zinc/89/03/80/524890380.db2.gz CJTHVAHMTXTEJG-FZMZJTMJSA-N 2 1 236.334 2.180 50 0 BEAAMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC000239761368 524890389 /nfs/dbraw/zinc/89/03/89/524890389.db2.gz CJTHVAHMTXTEJG-FZMZJTMJSA-N 2 1 236.334 2.180 50 0 BEAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H]([NH3+])[C@H](C)[NH2+]1 ZINC000757208786 586437917 /nfs/dbraw/zinc/43/79/17/586437917.db2.gz DJFSCOWBYFKTHE-XDTLVQLUSA-N 2 1 244.342 2.012 50 0 BEAAMP CC[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC000000221711 642760733 /nfs/dbraw/zinc/76/07/33/642760733.db2.gz JXBGHNUELRNCMC-UHFFFAOYSA-N 2 1 210.365 2.203 50 0 BEAAMP C[N@@H+](CCCCCF)C[C@]1(C)CC[NH+](C)C1 ZINC001529151982 990332379 /nfs/dbraw/zinc/33/23/79/990332379.db2.gz IGFFXPBNBKPMIV-ZDUSSCGKSA-N 2 1 230.371 2.400 50 0 BEAAMP C[NH+](CCCCCF)C[C@]1(C)CC[N@H+](C)C1 ZINC001529151982 990332386 /nfs/dbraw/zinc/33/23/86/990332386.db2.gz IGFFXPBNBKPMIV-ZDUSSCGKSA-N 2 1 230.371 2.400 50 0 BEAAMP C[NH+](CCCCCF)C[C@]1(C)CC[N@@H+](C)C1 ZINC001529151982 990332392 /nfs/dbraw/zinc/33/23/92/990332392.db2.gz IGFFXPBNBKPMIV-ZDUSSCGKSA-N 2 1 230.371 2.400 50 0 BEAAMP CCC(CC)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000095434015 168360446 /nfs/dbraw/zinc/36/04/46/168360446.db2.gz IJCJMELASWZCDE-UHFFFAOYSA-N 2 1 242.407 2.123 50 0 BEAAMP C[NH+]1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000000757805 343138670 /nfs/dbraw/zinc/13/86/70/343138670.db2.gz FSDLHKGPYCDJIS-UHFFFAOYSA-N 2 1 236.334 2.052 50 0 BEAAMP CC[C@@H](C)[N@@H+](CCC[NH3+])Cc1ccco1 ZINC000032919826 343244418 /nfs/dbraw/zinc/24/44/18/343244418.db2.gz BRHMWGXNPMZNON-LLVKDONJSA-N 2 1 210.321 2.229 50 0 BEAAMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000035805096 343304446 /nfs/dbraw/zinc/30/44/46/343304446.db2.gz LYPICULWQSVURF-HNNXBMFYSA-N 2 1 232.371 2.303 50 0 BEAAMP CC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000035805096 343304448 /nfs/dbraw/zinc/30/44/48/343304448.db2.gz LYPICULWQSVURF-HNNXBMFYSA-N 2 1 232.371 2.303 50 0 BEAAMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000038409934 343374752 /nfs/dbraw/zinc/37/47/52/343374752.db2.gz ZSWUAMLORPBSTM-ZDUSSCGKSA-N 2 1 218.344 2.246 50 0 BEAAMP CC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000042783439 343453117 /nfs/dbraw/zinc/45/31/17/343453117.db2.gz XGIIETXEBPAGFH-AWEZNQCLSA-N 2 1 218.344 2.118 50 0 BEAAMP CC(C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCCCC2 ZINC000409419700 344966255 /nfs/dbraw/zinc/96/62/55/344966255.db2.gz SGADROUBVGXYFM-LBPRGKRZSA-N 2 1 210.365 2.236 50 0 BEAAMP C1[C@H]2C[C@@H]3CCCC[N@H+]3C[C@H]2[C@@H]2CCCC[NH+]12 ZINC000250941587 187396186 /nfs/dbraw/zinc/39/61/86/187396186.db2.gz ZMEWOHVYLPPUTG-BARDWOONSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@@H]3CCCC[NH+]3C[C@H]2[C@@H]2CCCC[N@H+]12 ZINC000250941587 187396187 /nfs/dbraw/zinc/39/61/87/187396187.db2.gz ZMEWOHVYLPPUTG-BARDWOONSA-N 2 1 234.387 2.345 50 0 BEAAMP C1[C@H]2C[C@@H]3CCCC[NH+]3C[C@H]2[C@@H]2CCCC[N@@H+]12 ZINC000250941587 187396189 /nfs/dbraw/zinc/39/61/89/187396189.db2.gz ZMEWOHVYLPPUTG-BARDWOONSA-N 2 1 234.387 2.345 50 0 BEAAMP C[NH+]1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000000756981 350059212 /nfs/dbraw/zinc/05/92/12/350059212.db2.gz VYXZYYQWZSDSQL-UHFFFAOYSA-N 2 1 236.334 2.052 50 0 BEAAMP Cc1ccc2[nH+]c(C)c3c(c2c1)O[C@@H](C[NH3+])C3 ZINC000024983775 350511542 /nfs/dbraw/zinc/51/15/42/350511542.db2.gz PAADGCQBAKUTIP-SNVBAGLBSA-N 2 1 228.295 2.114 50 0 BEAAMP C[NH+](C)C1(C[NH2+][C@H]2CCCSC2)CCCC1 ZINC000132074859 353149384 /nfs/dbraw/zinc/14/93/84/353149384.db2.gz VJWKTGXOZUKEOB-LBPRGKRZSA-N 2 1 242.432 2.346 50 0 BEAAMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)SC)[C@@H](C)C1 ZINC000110704355 358178392 /nfs/dbraw/zinc/17/83/92/358178392.db2.gz GLBSBOQHIMFMPB-SRVKXCTJSA-N 2 1 230.421 2.058 50 0 BEAAMP CCSC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426563244 206052646 /nfs/dbraw/zinc/05/26/46/206052646.db2.gz PWEOCNKSAQZQRY-GFCCVEGCSA-N 2 1 242.432 2.204 50 0 BEAAMP CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000000219950 169186386 /nfs/dbraw/zinc/18/63/86/169186386.db2.gz VPKGVZNASXJVMB-UHFFFAOYSA-N 2 1 210.365 2.347 50 0 BEAAMP c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000095081939 183396412 /nfs/dbraw/zinc/39/64/12/183396412.db2.gz WSMLADAVDFCGEF-UHFFFAOYSA-N 2 1 216.328 2.015 50 0 BEAAMP c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000078210772 183399873 /nfs/dbraw/zinc/39/98/73/183399873.db2.gz TZOUPQXQHUBGOP-GJZGRUSLSA-N 2 1 230.355 2.261 50 0 BEAAMP c1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000000004105 183443251 /nfs/dbraw/zinc/44/32/51/183443251.db2.gz GUFTZAHBWSLXTM-UHFFFAOYSA-N 2 1 230.355 2.044 50 0 BEAAMP c1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000034972500 383820874 /nfs/dbraw/zinc/82/08/74/383820874.db2.gz NVLVMHJPPJMYRO-UHFFFAOYSA-N 2 1 244.382 2.434 50 0 BEAAMP CC(C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000000243837 383848727 /nfs/dbraw/zinc/84/87/27/383848727.db2.gz FKGQPSYLXOHMJZ-UHFFFAOYSA-N 2 1 210.365 2.345 50 0 BEAAMP C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000011953340 384305063 /nfs/dbraw/zinc/30/50/63/384305063.db2.gz RKONUTWCBKFEFZ-UHFFFAOYSA-N 2 1 218.344 2.118 50 0 BEAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000019872910 384550110 /nfs/dbraw/zinc/55/01/10/384550110.db2.gz WPLSPYJGWHJRPP-SECBINFHSA-N 2 1 201.273 2.200 50 0 BEAAMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000049708374 384558514 /nfs/dbraw/zinc/55/85/14/384558514.db2.gz STCVCYHAQNLPFA-GXTWGEPZSA-N 2 1 218.344 2.259 50 0 BEAAMP C1C[C@H]2[C@H](C3CCCCC3)NCC[N@H+]2C1 ZINC000020169264 384590626 /nfs/dbraw/zinc/59/06/26/384590626.db2.gz HWGJYRYPRGQACU-STQMWFEESA-N 2 1 208.349 2.003 50 0 BEAAMP C1C[C@H]2[C@H](C3CCCCC3)[NH2+]CCN2C1 ZINC000020169264 384590633 /nfs/dbraw/zinc/59/06/33/384590633.db2.gz HWGJYRYPRGQACU-STQMWFEESA-N 2 1 208.349 2.003 50 0 BEAAMP c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082346483 384669118 /nfs/dbraw/zinc/66/91/18/384669118.db2.gz MAIRFDXCHHKPFG-CABCVRRESA-N 2 1 230.355 2.261 50 0 BEAAMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000021949813 384708608 /nfs/dbraw/zinc/70/86/08/384708608.db2.gz ZOKLSRZQDQHBTI-GFCCVEGCSA-N 2 1 210.365 2.251 50 0 BEAAMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000044535411 384775497 /nfs/dbraw/zinc/77/54/97/384775497.db2.gz BCQHUTMQYWHWAV-QWHCGFSZSA-N 2 1 233.359 2.074 50 0 BEAAMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000044535411 384775498 /nfs/dbraw/zinc/77/54/98/384775498.db2.gz BCQHUTMQYWHWAV-QWHCGFSZSA-N 2 1 233.359 2.074 50 0 BEAAMP CCCC[N@@H+](CCC[NH3+])Cc1ccco1 ZINC000032919834 385192980 /nfs/dbraw/zinc/19/29/80/385192980.db2.gz PGXOUFAGDCQDCJ-UHFFFAOYSA-N 2 1 210.321 2.231 50 0 BEAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCC[NH2+]C1 ZINC000169676801 385417156 /nfs/dbraw/zinc/41/71/56/385417156.db2.gz SAVNZMLFYSVRQK-CYBMUJFWSA-N 2 1 249.358 2.010 50 0 BEAAMP [NH3+]C[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011888297 387249663 /nfs/dbraw/zinc/24/96/63/387249663.db2.gz KAWFFENPODGNHL-CYBMUJFWSA-N 2 1 210.365 2.237 50 0 BEAAMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000426513661 387579331 /nfs/dbraw/zinc/57/93/31/387579331.db2.gz OKNUAZNJOXCHRP-CQSZACIVSA-N 2 1 222.376 2.418 50 0 BEAAMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000095420557 388769777 /nfs/dbraw/zinc/76/97/77/388769777.db2.gz MHYOZZSVDXYXMW-ZYHUDNBSSA-N 2 1 212.381 2.351 50 0 BEAAMP Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000261530943 135159062 /nfs/dbraw/zinc/15/90/62/135159062.db2.gz DPBUPLVEHQIOMM-TUAOUCFPSA-N 2 1 206.333 2.381 50 0 BEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261563346 135204936 /nfs/dbraw/zinc/20/49/36/135204936.db2.gz WYZQUZGEKQAROR-YUELXQCFSA-N 2 1 230.355 2.289 50 0 BEAAMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000196570946 397911421 /nfs/dbraw/zinc/91/14/21/397911421.db2.gz GKDRMOQJXZGUAV-CQSZACIVSA-N 2 1 218.344 2.247 50 0 BEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC000037643758 170008375 /nfs/dbraw/zinc/00/83/75/170008375.db2.gz SDURYEWUMWAFRU-AWEZNQCLSA-N 2 1 248.370 2.127 50 0 BEAAMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)SC)[C@@H](C)C1 ZINC000110704352 170020874 /nfs/dbraw/zinc/02/08/74/170020874.db2.gz GLBSBOQHIMFMPB-TUAOUCFPSA-N 2 1 230.421 2.058 50 0 BEAAMP C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000000182130 177082749 /nfs/dbraw/zinc/08/27/49/177082749.db2.gz DCJHMQGYKZDCAZ-AAEUAGOBSA-N 2 1 210.365 2.249 50 0 BEAAMP Oc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020128836 526359669 /nfs/dbraw/zinc/35/96/69/526359669.db2.gz CTSFMYZEOHGRQL-UHFFFAOYSA-N 2 1 248.370 2.358 50 0 BEAAMP C[N@H+](C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000000213889 642757616 /nfs/dbraw/zinc/75/76/16/642757616.db2.gz XGGBXKRUBUCZOR-ZDUSSCGKSA-N 2 1 222.376 2.369 50 0 BEAAMP C[N@@H+](C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000000213889 642757623 /nfs/dbraw/zinc/75/76/23/642757623.db2.gz XGGBXKRUBUCZOR-ZDUSSCGKSA-N 2 1 222.376 2.369 50 0 BEAAMP