smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423023798 398163139 /nfs/dbraw/zinc/16/31/39/398163139.db2.gz IBDLLNWWHSAGPU-HOTGVXAUSA-N 2 2 244.382 2.820 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000126748616 398219990 /nfs/dbraw/zinc/21/99/90/398219990.db2.gz NFWYREOMCWYWCZ-UONOGXRCSA-N 2 2 226.408 2.907 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602707345 349700872 /nfs/dbraw/zinc/70/08/72/349700872.db2.gz SYTAQDROXMJMRC-RUXDESIVSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602707345 349700874 /nfs/dbraw/zinc/70/08/74/349700874.db2.gz SYTAQDROXMJMRC-RUXDESIVSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434615 343735551 /nfs/dbraw/zinc/73/55/51/343735551.db2.gz CRMAPEXQHTUJAP-UHFFFAOYSA-N 2 2 219.332 2.514 20 30 BFEDLP C=CCCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434615 343735554 /nfs/dbraw/zinc/73/55/54/343735554.db2.gz CRMAPEXQHTUJAP-UHFFFAOYSA-N 2 2 219.332 2.514 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000583451517 344999236 /nfs/dbraw/zinc/99/92/36/344999236.db2.gz XOLWWRUTYNRWSJ-HIFRSBDPSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000583451517 344999237 /nfs/dbraw/zinc/99/92/37/344999237.db2.gz XOLWWRUTYNRWSJ-HIFRSBDPSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000310583245 347294702 /nfs/dbraw/zinc/29/47/02/347294702.db2.gz SJEIDAFUKWMZHV-QWHCGFSZSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000310583245 347294706 /nfs/dbraw/zinc/29/47/06/347294706.db2.gz SJEIDAFUKWMZHV-QWHCGFSZSA-N 2 2 236.403 2.804 20 30 BFEDLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594992732 348166973 /nfs/dbraw/zinc/16/69/73/348166973.db2.gz WMXXMYCDKPWILF-SLTAFYQDSA-N 2 2 249.402 2.533 20 30 BFEDLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594992732 348166975 /nfs/dbraw/zinc/16/69/75/348166975.db2.gz WMXXMYCDKPWILF-SLTAFYQDSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000118979579 348189802 /nfs/dbraw/zinc/18/98/02/348189802.db2.gz AXNSKGHQXGVYMM-UHFFFAOYSA-N 2 2 232.371 2.673 20 30 BFEDLP C=CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000118979579 348189804 /nfs/dbraw/zinc/18/98/04/348189804.db2.gz AXNSKGHQXGVYMM-UHFFFAOYSA-N 2 2 232.371 2.673 20 30 BFEDLP C=CCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000577577723 366000057 /nfs/dbraw/zinc/00/00/57/366000057.db2.gz CDQHKFKECSQLRT-UHFFFAOYSA-N 2 2 233.359 2.945 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274820561 188264335 /nfs/dbraw/zinc/26/43/35/188264335.db2.gz YADCVTATFNTGPU-LBPRGKRZSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274820561 188264337 /nfs/dbraw/zinc/26/43/37/188264337.db2.gz YADCVTATFNTGPU-LBPRGKRZSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C(C)C[N@@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000183476357 353549204 /nfs/dbraw/zinc/54/92/04/353549204.db2.gz SHYRAWJWIBWYCE-UHFFFAOYSA-N 2 2 229.327 2.732 20 30 BFEDLP C=C(C)C[N@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000183476357 353549208 /nfs/dbraw/zinc/54/92/08/353549208.db2.gz SHYRAWJWIBWYCE-UHFFFAOYSA-N 2 2 229.327 2.732 20 30 BFEDLP C#C[C@H]([NH2+]CCCc1c[nH+]ccc1C)C(C)C ZINC000289619281 353622564 /nfs/dbraw/zinc/62/25/64/353622564.db2.gz WGNJIJDYYMQNTI-HNNXBMFYSA-N 2 2 230.355 2.570 20 30 BFEDLP C=C(CC)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449732243 202010816 /nfs/dbraw/zinc/01/08/16/202010816.db2.gz ALMJYXYWTAFGEA-UHFFFAOYSA-N 2 2 218.344 2.878 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000344340217 354236244 /nfs/dbraw/zinc/23/62/44/354236244.db2.gz XZGLLVVVKBQHKI-VNHYZAJKSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000344340217 354236247 /nfs/dbraw/zinc/23/62/47/354236247.db2.gz XZGLLVVVKBQHKI-VNHYZAJKSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000582435940 357153211 /nfs/dbraw/zinc/15/32/11/357153211.db2.gz YVAUGSHIMDQORZ-LBPRGKRZSA-N 2 2 233.359 2.664 20 30 BFEDLP CC#CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247014767 359183857 /nfs/dbraw/zinc/18/38/57/359183857.db2.gz UHQKCIHFOVRPRX-CVEARBPZSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247014767 359183861 /nfs/dbraw/zinc/18/38/61/359183861.db2.gz UHQKCIHFOVRPRX-CVEARBPZSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247014767 359183866 /nfs/dbraw/zinc/18/38/66/359183866.db2.gz UHQKCIHFOVRPRX-CVEARBPZSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247014767 359183869 /nfs/dbraw/zinc/18/38/69/359183869.db2.gz UHQKCIHFOVRPRX-CVEARBPZSA-N 2 2 248.414 2.596 20 30 BFEDLP C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579123465 366717720 /nfs/dbraw/zinc/71/77/20/366717720.db2.gz SKHDTDSCDRHDLF-ZIAGYGMSSA-N 2 2 247.386 2.954 20 30 BFEDLP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579123465 366717727 /nfs/dbraw/zinc/71/77/27/366717727.db2.gz SKHDTDSCDRHDLF-ZIAGYGMSSA-N 2 2 247.386 2.954 20 30 BFEDLP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000437094209 201344490 /nfs/dbraw/zinc/34/44/90/201344490.db2.gz IBADBXPARQEQIK-AWEZNQCLSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459652549 203330900 /nfs/dbraw/zinc/33/09/00/203330900.db2.gz CIDNBHCZAPZCJX-CYBMUJFWSA-N 2 2 235.375 2.687 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101678 371307529 /nfs/dbraw/zinc/30/75/29/371307529.db2.gz UNSHOCUVMQSOJI-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101678 371307534 /nfs/dbraw/zinc/30/75/34/371307534.db2.gz UNSHOCUVMQSOJI-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=C(CC)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347111366 386232861 /nfs/dbraw/zinc/23/28/61/386232861.db2.gz QNWKTWJONMTZRT-AWEZNQCLSA-N 2 2 232.327 2.501 20 30 BFEDLP C=C(CC)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347111366 386232866 /nfs/dbraw/zinc/23/28/66/386232866.db2.gz QNWKTWJONMTZRT-AWEZNQCLSA-N 2 2 232.327 2.501 20 30 BFEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000442712320 386528781 /nfs/dbraw/zinc/52/87/81/386528781.db2.gz GEZGBEKLSRVEOV-APIJFGDWSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000442712320 386528788 /nfs/dbraw/zinc/52/87/88/386528788.db2.gz GEZGBEKLSRVEOV-APIJFGDWSA-N 2 2 249.402 2.531 20 30 BFEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC000519715006 386533140 /nfs/dbraw/zinc/53/31/40/386533140.db2.gz XHTLNXSOANDCIB-UONOGXRCSA-N 2 2 237.391 2.531 20 30 BFEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC000519715006 386533145 /nfs/dbraw/zinc/53/31/45/386533145.db2.gz XHTLNXSOANDCIB-UONOGXRCSA-N 2 2 237.391 2.531 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccco1 ZINC000423343214 387192890 /nfs/dbraw/zinc/19/28/90/387192890.db2.gz ZNTXLHDWEKUHEW-GFCCVEGCSA-N 2 2 234.343 2.758 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@@H+](CC)C1CC1)C1CC1 ZINC000120844552 387200399 /nfs/dbraw/zinc/20/03/99/387200399.db2.gz BXRFKFUFYUOODT-OAHLLOKOSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@H+](CC)C1CC1)C1CC1 ZINC000120844552 387200403 /nfs/dbraw/zinc/20/04/03/387200403.db2.gz BXRFKFUFYUOODT-OAHLLOKOSA-N 2 2 236.403 2.805 20 30 BFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442781919 387838838 /nfs/dbraw/zinc/83/88/38/387838838.db2.gz OXTUWYGOVJIDDR-SOUVJXGZSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442781919 387838842 /nfs/dbraw/zinc/83/88/42/387838842.db2.gz OXTUWYGOVJIDDR-SOUVJXGZSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(CC)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536927941 388092552 /nfs/dbraw/zinc/09/25/52/388092552.db2.gz BIDIKOPVNPDOAZ-UHFFFAOYSA-N 2 2 245.370 2.924 20 30 BFEDLP CC1(C#N)CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000449220153 388159283 /nfs/dbraw/zinc/15/92/83/388159283.db2.gz PNIJQALIBOXMCM-UHFFFAOYSA-N 2 2 249.402 2.534 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000449064300 388138594 /nfs/dbraw/zinc/13/85/94/388138594.db2.gz PFKPSYJAZYNTMC-CQSZACIVSA-N 2 2 235.375 2.998 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000339418571 388483031 /nfs/dbraw/zinc/48/30/31/388483031.db2.gz WJLIGIYPWKZZPP-CHWSQXEVSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000339418571 388483032 /nfs/dbraw/zinc/48/30/32/388483032.db2.gz WJLIGIYPWKZZPP-CHWSQXEVSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352358701 134142053 /nfs/dbraw/zinc/14/20/53/134142053.db2.gz WSCHVQPJDZOVCL-UHFFFAOYSA-N 2 2 246.354 2.809 20 30 BFEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361466262 134205557 /nfs/dbraw/zinc/20/55/57/134205557.db2.gz OXJCRUWIKNWZIX-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361466262 134205558 /nfs/dbraw/zinc/20/55/58/134205558.db2.gz OXJCRUWIKNWZIX-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000184094473 134358200 /nfs/dbraw/zinc/35/82/00/134358200.db2.gz INRRWOGVNPTUKV-LBPRGKRZSA-N 2 2 237.391 2.531 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249184430 135036224 /nfs/dbraw/zinc/03/62/24/135036224.db2.gz KAOOFYJLJYULOS-GDBMZVCRSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000249184430 135036226 /nfs/dbraw/zinc/03/62/26/135036226.db2.gz KAOOFYJLJYULOS-GDBMZVCRSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271293450 166234138 /nfs/dbraw/zinc/23/41/38/166234138.db2.gz NGVDPJHMRQUAFA-KGLIPLIRSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271293450 166234139 /nfs/dbraw/zinc/23/41/39/166234139.db2.gz NGVDPJHMRQUAFA-KGLIPLIRSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000119800747 166302231 /nfs/dbraw/zinc/30/22/31/166302231.db2.gz FEDKOAZMEHPEOS-AWEZNQCLSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052376315 166336977 /nfs/dbraw/zinc/33/69/77/166336977.db2.gz QSZQBEFGPXEBRE-OAHLLOKOSA-N 2 2 238.419 2.931 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000651685281 411136037 /nfs/dbraw/zinc/13/60/37/411136037.db2.gz PBCQSUDRIOJMRX-LSDHHAIUSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000651690791 411136510 /nfs/dbraw/zinc/13/65/10/411136510.db2.gz VTKGFNVMEABFCV-ZNMIVQPWSA-N 2 2 247.386 2.854 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651706111 411137225 /nfs/dbraw/zinc/13/72/25/411137225.db2.gz SVCDMIZRRYBPJP-HZSPNIEDSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651706111 411137226 /nfs/dbraw/zinc/13/72/26/411137226.db2.gz SVCDMIZRRYBPJP-HZSPNIEDSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000651752570 411141823 /nfs/dbraw/zinc/14/18/23/411141823.db2.gz LGNADJZURPHJGN-ZNMIVQPWSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000651752570 411141824 /nfs/dbraw/zinc/14/18/24/411141824.db2.gz LGNADJZURPHJGN-ZNMIVQPWSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000657927661 411169082 /nfs/dbraw/zinc/16/90/82/411169082.db2.gz VMWMTWOHXGARQK-APIJFGDWSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000657927661 411169085 /nfs/dbraw/zinc/16/90/85/411169085.db2.gz VMWMTWOHXGARQK-APIJFGDWSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000658036521 411212531 /nfs/dbraw/zinc/21/25/31/411212531.db2.gz XAJCVLWWJQWPFQ-ZFWWWQNUSA-N 2 2 247.386 2.687 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657529856 411544342 /nfs/dbraw/zinc/54/43/42/411544342.db2.gz JNNXNUYLVJIHLC-HIFRSBDPSA-N 2 2 247.386 2.953 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657583050 411554323 /nfs/dbraw/zinc/55/43/23/411554323.db2.gz VQYXIWDQHYCMPP-ZBFHGGJFSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657583050 411554324 /nfs/dbraw/zinc/55/43/24/411554324.db2.gz VQYXIWDQHYCMPP-ZBFHGGJFSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[N@H+](CCn1cc[nH+]c1)CC1CCCCC1 ZINC000131303671 325135659 /nfs/dbraw/zinc/13/56/59/325135659.db2.gz SZKJCIHPUCZDAP-UHFFFAOYSA-N 2 2 247.386 2.951 20 30 BFEDLP C=CC[N@@H+](CCn1cc[nH+]c1)CC1CCCCC1 ZINC000131303671 325135662 /nfs/dbraw/zinc/13/56/62/325135662.db2.gz SZKJCIHPUCZDAP-UHFFFAOYSA-N 2 2 247.386 2.951 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CC)CC1 ZINC000568462479 326357592 /nfs/dbraw/zinc/35/75/92/326357592.db2.gz ZGNDMEFLYDLVOR-UKRRQHHQSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC=C)CC2)C1 ZINC000651700756 490134018 /nfs/dbraw/zinc/13/40/18/490134018.db2.gz RUUBUYWCFLGJDK-ZBFHGGJFSA-N 2 2 248.414 2.971 20 30 BFEDLP C=CC(C)(C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000898456770 584136824 /nfs/dbraw/zinc/13/68/24/584136824.db2.gz GTRKIKRHHWPWSH-UHFFFAOYSA-N 2 2 229.327 2.697 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201568 584735351 /nfs/dbraw/zinc/73/53/51/584735351.db2.gz JMJUXYZDRUMOCA-ZDUSSCGKSA-N 2 2 247.386 2.982 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000829292351 587491666 /nfs/dbraw/zinc/49/16/66/587491666.db2.gz TVMGMUVUTCMVCN-CQSZACIVSA-N 2 2 247.386 2.956 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000829292351 587491667 /nfs/dbraw/zinc/49/16/67/587491667.db2.gz TVMGMUVUTCMVCN-CQSZACIVSA-N 2 2 247.386 2.956 20 30 BFEDLP CC(C)C[N@H+](C)CCC/[NH+]=C/c1ccccc1O ZINC000844271969 588179002 /nfs/dbraw/zinc/17/90/02/588179002.db2.gz UAADLRAYOGXQIM-LFIBNONCSA-N 2 2 248.370 2.789 20 30 BFEDLP CC(C)C[N@@H+](C)CCC/[NH+]=C/c1ccccc1O ZINC000844271969 588179004 /nfs/dbraw/zinc/17/90/04/588179004.db2.gz UAADLRAYOGXQIM-LFIBNONCSA-N 2 2 248.370 2.789 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000872102133 589870533 /nfs/dbraw/zinc/87/05/33/589870533.db2.gz PGDKPUMMBSJVGX-CHWSQXEVSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000872102133 589870534 /nfs/dbraw/zinc/87/05/34/589870534.db2.gz PGDKPUMMBSJVGX-CHWSQXEVSA-N 2 2 224.392 2.519 20 30 BFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC000876956835 590260644 /nfs/dbraw/zinc/26/06/44/590260644.db2.gz OTEDFQSUBZUHII-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000877970225 590461902 /nfs/dbraw/zinc/46/19/02/590461902.db2.gz LIUPMEXPQLPDAI-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000877970225 590461903 /nfs/dbraw/zinc/46/19/03/590461903.db2.gz LIUPMEXPQLPDAI-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059071 590484579 /nfs/dbraw/zinc/48/45/79/590484579.db2.gz LYTJPUWOGRPPIS-OAHLLOKOSA-N 2 2 245.370 2.714 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059071 590484581 /nfs/dbraw/zinc/48/45/81/590484581.db2.gz LYTJPUWOGRPPIS-OAHLLOKOSA-N 2 2 245.370 2.714 20 30 BFEDLP C=CC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000878155313 590509009 /nfs/dbraw/zinc/50/90/09/590509009.db2.gz MZUCEQOLCAOQLY-KFWWJZLASA-N 2 2 236.403 2.898 20 30 BFEDLP C=CC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000878155313 590509011 /nfs/dbraw/zinc/50/90/11/590509011.db2.gz MZUCEQOLCAOQLY-KFWWJZLASA-N 2 2 236.403 2.898 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000878155313 590509013 /nfs/dbraw/zinc/50/90/13/590509013.db2.gz MZUCEQOLCAOQLY-KFWWJZLASA-N 2 2 236.403 2.898 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000878155313 590509014 /nfs/dbraw/zinc/50/90/14/590509014.db2.gz MZUCEQOLCAOQLY-KFWWJZLASA-N 2 2 236.403 2.898 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252631 590529812 /nfs/dbraw/zinc/52/98/12/590529812.db2.gz QAOXTIBNRVWQKK-AWEZNQCLSA-N 2 2 245.370 2.783 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252631 590529813 /nfs/dbraw/zinc/52/98/13/590529813.db2.gz QAOXTIBNRVWQKK-AWEZNQCLSA-N 2 2 245.370 2.783 20 30 BFEDLP C#CC[C@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000886365797 592220134 /nfs/dbraw/zinc/22/01/34/592220134.db2.gz PLCOLYILLMHDHP-JKSUJKDBSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000886365797 592220135 /nfs/dbraw/zinc/22/01/35/592220135.db2.gz PLCOLYILLMHDHP-JKSUJKDBSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365797 592220136 /nfs/dbraw/zinc/22/01/36/592220136.db2.gz PLCOLYILLMHDHP-JKSUJKDBSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365797 592220137 /nfs/dbraw/zinc/22/01/37/592220137.db2.gz PLCOLYILLMHDHP-JKSUJKDBSA-N 2 2 248.414 2.595 20 30 BFEDLP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000925692357 634322400 /nfs/dbraw/zinc/32/24/00/634322400.db2.gz JWWSAKASZBDNCS-GXTWGEPZSA-N 2 2 245.370 2.604 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000931620166 640288695 /nfs/dbraw/zinc/28/86/95/640288695.db2.gz FANIMYIWIATTDU-HZPDHXFCSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000931620166 640288698 /nfs/dbraw/zinc/28/86/98/640288698.db2.gz FANIMYIWIATTDU-HZPDHXFCSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931620166 640288704 /nfs/dbraw/zinc/28/87/04/640288704.db2.gz FANIMYIWIATTDU-HZPDHXFCSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931620166 640288709 /nfs/dbraw/zinc/28/87/09/640288709.db2.gz FANIMYIWIATTDU-HZPDHXFCSA-N 2 2 248.414 2.739 20 30 BFEDLP C=C(CC)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926549138 645271623 /nfs/dbraw/zinc/27/16/23/645271623.db2.gz FGTRMKCCRJDPRK-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(CC)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926549138 645271631 /nfs/dbraw/zinc/27/16/31/645271631.db2.gz FGTRMKCCRJDPRK-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926568502 645287433 /nfs/dbraw/zinc/28/74/33/645287433.db2.gz MPFSZJVBUCPMKM-ZIAGYGMSSA-N 2 2 249.402 2.533 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926568502 645287441 /nfs/dbraw/zinc/28/74/41/645287441.db2.gz MPFSZJVBUCPMKM-ZIAGYGMSSA-N 2 2 249.402 2.533 20 30 BFEDLP C#CCCCCCC[NH2+]C1(C[NH+](C)C)CCC1 ZINC000877497089 645798742 /nfs/dbraw/zinc/79/87/42/645798742.db2.gz DYUGPBFAXHKFFX-UHFFFAOYSA-N 2 2 236.403 2.644 20 30 BFEDLP C=CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926197210 646592917 /nfs/dbraw/zinc/59/29/17/646592917.db2.gz CWHBHCHAGXGKFO-LSDHHAIUSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926197210 646592918 /nfs/dbraw/zinc/59/29/18/646592918.db2.gz CWHBHCHAGXGKFO-LSDHHAIUSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209156645 957336038 /nfs/dbraw/zinc/33/60/38/957336038.db2.gz GCEYKGGFBNNTPN-UHFFFAOYSA-N 2 2 246.354 2.891 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC000164526314 968522977 /nfs/dbraw/zinc/52/29/77/968522977.db2.gz ZMPAUEXEUSVGKI-UHFFFAOYSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCCCCCC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235829144 979161792 /nfs/dbraw/zinc/16/17/92/979161792.db2.gz NIJAAWJIBQMFRA-CQSZACIVSA-N 2 2 224.392 2.807 20 30 BFEDLP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235829144 979161793 /nfs/dbraw/zinc/16/17/93/979161793.db2.gz NIJAAWJIBQMFRA-CQSZACIVSA-N 2 2 224.392 2.807 20 30 BFEDLP C=CCC[C@@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001258734339 986096574 /nfs/dbraw/zinc/09/65/74/986096574.db2.gz XCYHVDJTSYCPKV-CYBMUJFWSA-N 2 2 221.348 2.560 20 30 BFEDLP C=CCC[C@@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001258734339 986096588 /nfs/dbraw/zinc/09/65/88/986096588.db2.gz XCYHVDJTSYCPKV-CYBMUJFWSA-N 2 2 221.348 2.560 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258723495 991659999 /nfs/dbraw/zinc/65/99/99/991659999.db2.gz WKPPYDXBQFEIHO-STQMWFEESA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258723495 991660001 /nfs/dbraw/zinc/66/00/01/991660001.db2.gz WKPPYDXBQFEIHO-STQMWFEESA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCC[C@H](C)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001258735657 991684928 /nfs/dbraw/zinc/68/49/28/991684928.db2.gz YLYPEYNLRUOTSW-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@H](C)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001258735657 991684931 /nfs/dbraw/zinc/68/49/31/991684931.db2.gz YLYPEYNLRUOTSW-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@H](C)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001258735657 991684935 /nfs/dbraw/zinc/68/49/35/991684935.db2.gz YLYPEYNLRUOTSW-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@H](C)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001258735657 991684936 /nfs/dbraw/zinc/68/49/36/991684936.db2.gz YLYPEYNLRUOTSW-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602707344 349700898 /nfs/dbraw/zinc/70/08/98/349700898.db2.gz SYTAQDROXMJMRC-JXQTWKCFSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602707344 349700900 /nfs/dbraw/zinc/70/09/00/349700900.db2.gz SYTAQDROXMJMRC-JXQTWKCFSA-N 2 2 249.402 2.531 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003051 343631014 /nfs/dbraw/zinc/63/10/14/343631014.db2.gz AEZLHQWNUGERFA-UHFFFAOYSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCC1([NH2+]C[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000625934306 344574172 /nfs/dbraw/zinc/57/41/72/344574172.db2.gz IRZTWSUXTKOADE-CQSZACIVSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000625934306 344574176 /nfs/dbraw/zinc/57/41/76/344574176.db2.gz IRZTWSUXTKOADE-CQSZACIVSA-N 2 2 236.403 2.949 20 30 BFEDLP CC(C)(C#N)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270637860 534986761 /nfs/dbraw/zinc/98/67/61/534986761.db2.gz IJFAMTXTQILFEO-UHFFFAOYSA-N 2 2 246.358 2.529 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000449227922 201841701 /nfs/dbraw/zinc/84/17/01/201841701.db2.gz WQJZIQZFVLVRCH-CHWSQXEVSA-N 2 2 212.381 2.661 20 30 BFEDLP C=CC[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309603591 347119842 /nfs/dbraw/zinc/11/98/42/347119842.db2.gz YEUYSGMPUYFTHH-LBPRGKRZSA-N 2 2 218.344 2.877 20 30 BFEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439359 347263104 /nfs/dbraw/zinc/26/31/04/347263104.db2.gz TYWBRNJOZMQNGZ-CHWSQXEVSA-N 2 2 247.386 2.910 20 30 BFEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000595092040 348191834 /nfs/dbraw/zinc/19/18/34/348191834.db2.gz VMJAWFIBQFPAJS-KBPBESRZSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1C ZINC000595092040 348191837 /nfs/dbraw/zinc/19/18/37/348191837.db2.gz VMJAWFIBQFPAJS-KBPBESRZSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCC[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000419374872 192129420 /nfs/dbraw/zinc/12/94/20/192129420.db2.gz LYRCHAQDNGILNT-UHFFFAOYSA-N 2 2 224.392 2.759 20 30 BFEDLP C=CCCC[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000419374872 192129422 /nfs/dbraw/zinc/12/94/22/192129422.db2.gz LYRCHAQDNGILNT-UHFFFAOYSA-N 2 2 224.392 2.759 20 30 BFEDLP CC[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000596651791 348606023 /nfs/dbraw/zinc/60/60/23/348606023.db2.gz NTZSXMPOBVCHLW-KGLIPLIRSA-N 2 2 249.402 2.581 20 30 BFEDLP C=CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250521646 349174713 /nfs/dbraw/zinc/17/47/13/349174713.db2.gz LOMLRSVMOBOQJP-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250521646 349174716 /nfs/dbraw/zinc/17/47/16/349174716.db2.gz LOMLRSVMOBOQJP-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000070593288 350026077 /nfs/dbraw/zinc/02/60/77/350026077.db2.gz LOMLRSVMOBOQJP-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000070593288 350026080 /nfs/dbraw/zinc/02/60/80/350026080.db2.gz LOMLRSVMOBOQJP-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427859509 191095250 /nfs/dbraw/zinc/09/52/50/191095250.db2.gz WDZDLJATXLZBDZ-STQMWFEESA-N 2 2 233.359 2.532 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427892031 191100514 /nfs/dbraw/zinc/10/05/14/191100514.db2.gz MKHBAYXEDVAEJV-KGLIPLIRSA-N 2 2 247.386 2.922 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H](C)C[NH+](C)C ZINC000336728955 350484965 /nfs/dbraw/zinc/48/49/65/350484965.db2.gz IPCKXXHJRBJTIZ-OLZOCXBDSA-N 2 2 212.381 2.661 20 30 BFEDLP CCCC[N@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000344411333 354251994 /nfs/dbraw/zinc/25/19/94/354251994.db2.gz SLYCMWCFSDJGQT-UHFFFAOYSA-N 2 2 239.407 2.638 20 30 BFEDLP CCCC[N@@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000344411333 354251995 /nfs/dbraw/zinc/25/19/95/354251995.db2.gz SLYCMWCFSDJGQT-UHFFFAOYSA-N 2 2 239.407 2.638 20 30 BFEDLP C=C(CC)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335293384 355270424 /nfs/dbraw/zinc/27/04/24/355270424.db2.gz GZTQCROPKKTPAO-UHFFFAOYSA-N 2 2 222.376 2.513 20 30 BFEDLP C=C(CC)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335293384 355270427 /nfs/dbraw/zinc/27/04/27/355270427.db2.gz GZTQCROPKKTPAO-UHFFFAOYSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000132783621 358736206 /nfs/dbraw/zinc/73/62/06/358736206.db2.gz HHAYKRLNMWTXCP-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000132783621 358736207 /nfs/dbraw/zinc/73/62/07/358736207.db2.gz HHAYKRLNMWTXCP-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP CC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247014792 359184696 /nfs/dbraw/zinc/18/46/96/359184696.db2.gz UHQKCIHFOVRPRX-HZPDHXFCSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247014792 359184702 /nfs/dbraw/zinc/18/47/02/359184702.db2.gz UHQKCIHFOVRPRX-HZPDHXFCSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247014792 359184705 /nfs/dbraw/zinc/18/47/05/359184705.db2.gz UHQKCIHFOVRPRX-HZPDHXFCSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247014792 359184711 /nfs/dbraw/zinc/18/47/11/359184711.db2.gz UHQKCIHFOVRPRX-HZPDHXFCSA-N 2 2 248.414 2.596 20 30 BFEDLP C=CC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000360959004 366935208 /nfs/dbraw/zinc/93/52/08/366935208.db2.gz UZJPEIDNTIVDBC-MRXNPFEDSA-N 2 2 246.398 2.919 20 30 BFEDLP C=CC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360959004 366935214 /nfs/dbraw/zinc/93/52/14/366935214.db2.gz UZJPEIDNTIVDBC-MRXNPFEDSA-N 2 2 246.398 2.919 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188278 371377089 /nfs/dbraw/zinc/37/70/89/371377089.db2.gz AMVXVLQCLRDVLR-ZFWWWQNUSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188278 371377095 /nfs/dbraw/zinc/37/70/95/371377095.db2.gz AMVXVLQCLRDVLR-ZFWWWQNUSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000560187106 383959276 /nfs/dbraw/zinc/95/92/76/383959276.db2.gz JQBLYDYVQAUGPW-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000560187106 383959280 /nfs/dbraw/zinc/95/92/80/383959280.db2.gz JQBLYDYVQAUGPW-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000560187104 383959419 /nfs/dbraw/zinc/95/94/19/383959419.db2.gz JQBLYDYVQAUGPW-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000560187104 383959420 /nfs/dbraw/zinc/95/94/20/383959420.db2.gz JQBLYDYVQAUGPW-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=C[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132671792 384201126 /nfs/dbraw/zinc/20/11/26/384201126.db2.gz KRAOFYQNOKHVJN-GOEBONIOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132671792 384201129 /nfs/dbraw/zinc/20/11/29/384201129.db2.gz KRAOFYQNOKHVJN-GOEBONIOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427900155 385349102 /nfs/dbraw/zinc/34/91/02/385349102.db2.gz YBCSFAYGSOUXNP-KBPBESRZSA-N 2 2 245.370 2.532 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427900159 385349923 /nfs/dbraw/zinc/34/99/23/385349923.db2.gz YBCSFAYGSOUXNP-UONOGXRCSA-N 2 2 245.370 2.532 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602723490 385817755 /nfs/dbraw/zinc/81/77/55/385817755.db2.gz BXYCJQVTYVVPFN-UKRRQHHQSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000602723490 385817759 /nfs/dbraw/zinc/81/77/59/385817759.db2.gz BXYCJQVTYVVPFN-UKRRQHHQSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602723491 385817874 /nfs/dbraw/zinc/81/78/74/385817874.db2.gz BXYCJQVTYVVPFN-ZFWWWQNUSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602723491 385817879 /nfs/dbraw/zinc/81/78/79/385817879.db2.gz BXYCJQVTYVVPFN-ZFWWWQNUSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414961305 385884031 /nfs/dbraw/zinc/88/40/31/385884031.db2.gz VBONDRVTBXNYOR-XJKSGUPXSA-N 2 2 244.382 2.818 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414961298 385884127 /nfs/dbraw/zinc/88/41/27/385884127.db2.gz VBONDRVTBXNYOR-BBRMVZONSA-N 2 2 244.382 2.818 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccco1 ZINC000423317281 387157549 /nfs/dbraw/zinc/15/75/49/387157549.db2.gz KFFXWCOCTQSKMZ-STQMWFEESA-N 2 2 234.343 2.614 20 30 BFEDLP CC(C)(C)[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418142844 387165060 /nfs/dbraw/zinc/16/50/60/387165060.db2.gz NTWHGELRCNCTKN-UHFFFAOYSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccco1 ZINC000423468506 387316776 /nfs/dbraw/zinc/31/67/76/387316776.db2.gz OKPBHEQEICXQSA-TUAOUCFPSA-N 2 2 222.332 2.612 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)[NH2+]CC)c1ccco1 ZINC000423379030 387259168 /nfs/dbraw/zinc/25/91/68/387259168.db2.gz LMRXUBAHLMOSHU-CHWSQXEVSA-N 2 2 236.359 2.875 20 30 BFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442781915 387838408 /nfs/dbraw/zinc/83/84/08/387838408.db2.gz OXTUWYGOVJIDDR-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442781915 387838412 /nfs/dbraw/zinc/83/84/12/387838412.db2.gz OXTUWYGOVJIDDR-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442791010 387841130 /nfs/dbraw/zinc/84/11/30/387841130.db2.gz KDUQARAPTHQNHT-BARDWOONSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442791010 387841135 /nfs/dbraw/zinc/84/11/35/387841135.db2.gz KDUQARAPTHQNHT-BARDWOONSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000648432409 387842840 /nfs/dbraw/zinc/84/28/40/387842840.db2.gz GQSIMXBHBNKJGT-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000648432409 387842844 /nfs/dbraw/zinc/84/28/44/387842844.db2.gz GQSIMXBHBNKJGT-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423165178 387948807 /nfs/dbraw/zinc/94/88/07/387948807.db2.gz ASAVOBFCEKCJQU-UONOGXRCSA-N 2 2 243.354 2.661 20 30 BFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449057506 388137035 /nfs/dbraw/zinc/13/70/35/388137035.db2.gz CPGLCGAIKDKKRM-SLTAFYQDSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449057506 388137037 /nfs/dbraw/zinc/13/70/37/388137037.db2.gz CPGLCGAIKDKKRM-SLTAFYQDSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCCC1 ZINC000449606419 388241006 /nfs/dbraw/zinc/24/10/06/388241006.db2.gz QQBHXDDKAKDGPL-KGLIPLIRSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCCC1 ZINC000449606419 388241008 /nfs/dbraw/zinc/24/10/08/388241008.db2.gz QQBHXDDKAKDGPL-KGLIPLIRSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287305 388543116 /nfs/dbraw/zinc/54/31/16/388543116.db2.gz FPHJKNRRKKYLBU-CQSZACIVSA-N 2 2 233.359 2.876 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287305 388543117 /nfs/dbraw/zinc/54/31/17/388543117.db2.gz FPHJKNRRKKYLBU-CQSZACIVSA-N 2 2 233.359 2.876 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154650376 388642919 /nfs/dbraw/zinc/64/29/19/388642919.db2.gz KDEOTQNPKOGGPN-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154650376 388642922 /nfs/dbraw/zinc/64/29/22/388642922.db2.gz KDEOTQNPKOGGPN-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103715 134217308 /nfs/dbraw/zinc/21/73/08/134217308.db2.gz YBUVSYUXKMFYDN-RYUDHWBXSA-N 2 2 233.359 2.601 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103715 134217309 /nfs/dbraw/zinc/21/73/09/134217309.db2.gz YBUVSYUXKMFYDN-RYUDHWBXSA-N 2 2 233.359 2.601 20 30 BFEDLP C=C(C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000122557398 135227566 /nfs/dbraw/zinc/22/75/66/135227566.db2.gz STTJBDJFPWYDKZ-UHFFFAOYSA-N 2 2 241.338 2.846 20 30 BFEDLP C#CCCCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000157566929 166126970 /nfs/dbraw/zinc/12/69/70/166126970.db2.gz RAVSPAGAELRTHZ-UHFFFAOYSA-N 2 2 241.338 2.536 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000651685279 411135916 /nfs/dbraw/zinc/13/59/16/411135916.db2.gz PBCQSUDRIOJMRX-GJZGRUSLSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000651685280 411135919 /nfs/dbraw/zinc/13/59/19/411135919.db2.gz PBCQSUDRIOJMRX-HUUCEWRRSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000651749675 411140798 /nfs/dbraw/zinc/14/07/98/411140798.db2.gz FPMAHXQVPQEZDF-HUUCEWRRSA-N 2 2 236.403 2.807 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658097604 411244201 /nfs/dbraw/zinc/24/42/01/411244201.db2.gz YACFORXJJCVZSO-OLZOCXBDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658097604 411244203 /nfs/dbraw/zinc/24/42/03/411244203.db2.gz YACFORXJJCVZSO-OLZOCXBDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658287450 411323887 /nfs/dbraw/zinc/32/38/87/411323887.db2.gz INILPEUOVJZYRK-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658287450 411323889 /nfs/dbraw/zinc/32/38/89/411323889.db2.gz INILPEUOVJZYRK-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000657871030 411614280 /nfs/dbraw/zinc/61/42/80/411614280.db2.gz IIRJNZVIQMVTBZ-MGPQQGTHSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)C(C)(C)C ZINC000661760441 411871882 /nfs/dbraw/zinc/87/18/82/411871882.db2.gz SSBIQSXHKYKGGV-UHFFFAOYSA-N 2 2 221.348 2.560 20 30 BFEDLP C=CC[N@H+](CCCn1cc[nH+]c1)C(C)(C)C ZINC000661760441 411871884 /nfs/dbraw/zinc/87/18/84/411871884.db2.gz SSBIQSXHKYKGGV-UHFFFAOYSA-N 2 2 221.348 2.560 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000749114907 585199609 /nfs/dbraw/zinc/19/96/09/585199609.db2.gz FCFYBBCYCYKHIC-VXGBXAGGSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000749114907 585199610 /nfs/dbraw/zinc/19/96/10/585199610.db2.gz FCFYBBCYCYKHIC-VXGBXAGGSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000749114907 585199611 /nfs/dbraw/zinc/19/96/11/585199611.db2.gz FCFYBBCYCYKHIC-VXGBXAGGSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000749114907 585199612 /nfs/dbraw/zinc/19/96/12/585199612.db2.gz FCFYBBCYCYKHIC-VXGBXAGGSA-N 2 2 230.783 2.544 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309629564 323082589 /nfs/dbraw/zinc/08/25/89/323082589.db2.gz GQQPSXVYGXPCJG-KGLIPLIRSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309629564 323082590 /nfs/dbraw/zinc/08/25/90/323082590.db2.gz GQQPSXVYGXPCJG-KGLIPLIRSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359334493 323354045 /nfs/dbraw/zinc/35/40/45/323354045.db2.gz CMJUKABLLCDIRU-UONOGXRCSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000359334493 323354049 /nfs/dbraw/zinc/35/40/49/323354049.db2.gz CMJUKABLLCDIRU-UONOGXRCSA-N 2 2 236.403 2.948 20 30 BFEDLP CC(C)(CCC#N)C[NH2+]CCCCn1cc[nH+]c1 ZINC000135160258 325398267 /nfs/dbraw/zinc/39/82/67/325398267.db2.gz DKCCCMSSNHTKCP-UHFFFAOYSA-N 2 2 248.374 2.583 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC=C)CC2)C1 ZINC000651700755 490133965 /nfs/dbraw/zinc/13/39/65/490133965.db2.gz RUUBUYWCFLGJDK-HOCLYGCPSA-N 2 2 248.414 2.971 20 30 BFEDLP C=CCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000280212663 534733174 /nfs/dbraw/zinc/73/31/74/534733174.db2.gz WFQATIZPJITAEB-UHFFFAOYSA-N 2 2 245.370 2.606 20 30 BFEDLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C[C@H](C)C#N ZINC000353444116 535726419 /nfs/dbraw/zinc/72/64/19/535726419.db2.gz XRSVMNQBJPDJGP-CYBMUJFWSA-N 2 2 245.370 2.804 20 30 BFEDLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@H](C)C#N ZINC000353444116 535726421 /nfs/dbraw/zinc/72/64/21/535726421.db2.gz XRSVMNQBJPDJGP-CYBMUJFWSA-N 2 2 245.370 2.804 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136732 583471995 /nfs/dbraw/zinc/47/19/95/583471995.db2.gz RBIZSAQGRXUVKI-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136732 583471997 /nfs/dbraw/zinc/47/19/97/583471997.db2.gz RBIZSAQGRXUVKI-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136732 583471998 /nfs/dbraw/zinc/47/19/98/583471998.db2.gz RBIZSAQGRXUVKI-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136732 583472000 /nfs/dbraw/zinc/47/20/00/583472000.db2.gz RBIZSAQGRXUVKI-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903420539 584764052 /nfs/dbraw/zinc/76/40/52/584764052.db2.gz BTJBTHVYZHREED-VXGQWTEUSA-N 2 2 249.402 2.518 20 30 BFEDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903420539 584764054 /nfs/dbraw/zinc/76/40/54/584764054.db2.gz BTJBTHVYZHREED-VXGQWTEUSA-N 2 2 249.402 2.518 20 30 BFEDLP N#CC1CCC(C[N@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000903476925 584777232 /nfs/dbraw/zinc/77/72/32/584777232.db2.gz NRQLXHTUBYAIIK-YMAMQOFZSA-N 2 2 249.402 2.520 20 30 BFEDLP N#CC1CCC(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000903476925 584777233 /nfs/dbraw/zinc/77/72/33/584777233.db2.gz NRQLXHTUBYAIIK-YMAMQOFZSA-N 2 2 249.402 2.520 20 30 BFEDLP C[NH2+][C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903715960 584793998 /nfs/dbraw/zinc/79/39/98/584793998.db2.gz CZOJTYADLNYAMY-AWEZNQCLSA-N 2 2 249.402 2.534 20 30 BFEDLP C[NH2+][C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903715960 584793999 /nfs/dbraw/zinc/79/39/99/584793999.db2.gz CZOJTYADLNYAMY-AWEZNQCLSA-N 2 2 249.402 2.534 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000872102135 589869969 /nfs/dbraw/zinc/86/99/69/589869969.db2.gz PGDKPUMMBSJVGX-QWHCGFSZSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000872102135 589869968 /nfs/dbraw/zinc/86/99/68/589869968.db2.gz PGDKPUMMBSJVGX-QWHCGFSZSA-N 2 2 224.392 2.519 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000877095419 590282138 /nfs/dbraw/zinc/28/21/38/590282138.db2.gz YBRLGYBZFPVDMS-HUUCEWRRSA-N 2 2 248.414 2.785 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000877095419 590282139 /nfs/dbraw/zinc/28/21/39/590282139.db2.gz YBRLGYBZFPVDMS-HUUCEWRRSA-N 2 2 248.414 2.785 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000126773738 590442245 /nfs/dbraw/zinc/44/22/45/590442245.db2.gz PKPHFZNYKQBELH-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036719 590476937 /nfs/dbraw/zinc/47/69/37/590476937.db2.gz PZQLAMBDBYYVKB-MRXNPFEDSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036719 590476939 /nfs/dbraw/zinc/47/69/39/590476939.db2.gz PZQLAMBDBYYVKB-MRXNPFEDSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000931620162 640287591 /nfs/dbraw/zinc/28/75/91/640287591.db2.gz FANIMYIWIATTDU-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000931620162 640287593 /nfs/dbraw/zinc/28/75/93/640287593.db2.gz FANIMYIWIATTDU-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931620162 640287594 /nfs/dbraw/zinc/28/75/94/640287594.db2.gz FANIMYIWIATTDU-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931620162 640287601 /nfs/dbraw/zinc/28/76/01/640287601.db2.gz FANIMYIWIATTDU-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CC[N@@H+](Cc1[nH]c(C)[nH+]c1C)C1CCCCC1 ZINC000929362725 646095986 /nfs/dbraw/zinc/09/59/86/646095986.db2.gz UNFRUPZCGKMGHL-UHFFFAOYSA-N 2 2 245.370 2.794 20 30 BFEDLP C#CC[N@H+](Cc1[nH]c(C)[nH+]c1C)C1CCCCC1 ZINC000929362725 646095989 /nfs/dbraw/zinc/09/59/89/646095989.db2.gz UNFRUPZCGKMGHL-UHFFFAOYSA-N 2 2 245.370 2.794 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925433200 646263810 /nfs/dbraw/zinc/26/38/10/646263810.db2.gz WSCXVYNEJWYQQI-MELADBBJSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925433200 646263815 /nfs/dbraw/zinc/26/38/15/646263815.db2.gz WSCXVYNEJWYQQI-MELADBBJSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926351711 646623792 /nfs/dbraw/zinc/62/37/92/646623792.db2.gz SBCFOOCTVRPIRO-KKUMJFAQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926351711 646623794 /nfs/dbraw/zinc/62/37/94/646623794.db2.gz SBCFOOCTVRPIRO-KKUMJFAQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337721 968244855 /nfs/dbraw/zinc/24/48/55/968244855.db2.gz VTCTTZUZHGLNHH-CQSZACIVSA-N 2 2 242.382 2.886 20 30 BFEDLP C=CCCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337721 968244866 /nfs/dbraw/zinc/24/48/66/968244866.db2.gz VTCTTZUZHGLNHH-CQSZACIVSA-N 2 2 242.382 2.886 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000747870321 971615489 /nfs/dbraw/zinc/61/54/89/971615489.db2.gz RPRMCWLJZAZUJY-DZGCQCFKSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000747870321 971615497 /nfs/dbraw/zinc/61/54/97/971615497.db2.gz RPRMCWLJZAZUJY-DZGCQCFKSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000309364002 959857363 /nfs/dbraw/zinc/85/73/63/959857363.db2.gz ZWLBAPADJLEMIC-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000309364002 959857376 /nfs/dbraw/zinc/85/73/76/959857376.db2.gz ZWLBAPADJLEMIC-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000309364002 959857378 /nfs/dbraw/zinc/85/73/78/959857378.db2.gz ZWLBAPADJLEMIC-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000309364002 959857379 /nfs/dbraw/zinc/85/73/79/959857379.db2.gz ZWLBAPADJLEMIC-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895589 967876407 /nfs/dbraw/zinc/87/64/07/967876407.db2.gz JQOGBVFBEXEDNX-ZIAGYGMSSA-N 2 2 242.382 2.884 20 30 BFEDLP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895589 967876408 /nfs/dbraw/zinc/87/64/08/967876408.db2.gz JQOGBVFBEXEDNX-ZIAGYGMSSA-N 2 2 242.382 2.884 20 30 BFEDLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254650901 969763895 /nfs/dbraw/zinc/76/38/95/969763895.db2.gz YXERSJXTYNHBEG-IHRRRGAJSA-N 2 2 249.402 2.531 20 30 BFEDLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254650901 969763900 /nfs/dbraw/zinc/76/39/00/969763900.db2.gz YXERSJXTYNHBEG-IHRRRGAJSA-N 2 2 249.402 2.531 20 30 BFEDLP CC[C@@H](CC#N)[NH+]1C(C)(C)CC([NH3+])CC1(C)C ZINC001255153357 969959625 /nfs/dbraw/zinc/95/96/25/969959625.db2.gz VJCFINJCFFCEGW-LBPRGKRZSA-N 2 2 237.391 2.659 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC001235679707 979118617 /nfs/dbraw/zinc/11/86/17/979118617.db2.gz MUIRCMYXVMXGGY-INIZCTEOSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC001235679707 979118621 /nfs/dbraw/zinc/11/86/21/979118621.db2.gz MUIRCMYXVMXGGY-INIZCTEOSA-N 2 2 244.382 2.908 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C[C@@H]([NH3+])CC)CC1 ZINC001236858691 979766542 /nfs/dbraw/zinc/76/65/42/979766542.db2.gz FSIRTKACVVWIGB-CABCVRRESA-N 2 2 236.403 2.958 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C)C[C@@H]([NH3+])CC)CC1 ZINC001236858691 979766548 /nfs/dbraw/zinc/76/65/48/979766548.db2.gz FSIRTKACVVWIGB-CABCVRRESA-N 2 2 236.403 2.958 20 30 BFEDLP CCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201797949 983476274 /nfs/dbraw/zinc/47/62/74/983476274.db2.gz IDGYFXSFPTTXLB-HUUCEWRRSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201797949 983476278 /nfs/dbraw/zinc/47/62/78/983476278.db2.gz IDGYFXSFPTTXLB-HUUCEWRRSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201797949 983476281 /nfs/dbraw/zinc/47/62/81/983476281.db2.gz IDGYFXSFPTTXLB-HUUCEWRRSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201797949 983476285 /nfs/dbraw/zinc/47/62/85/983476285.db2.gz IDGYFXSFPTTXLB-HUUCEWRRSA-N 2 2 238.419 2.983 20 30 BFEDLP C=CC[NH+]1CCC(Nc2ccc(CC)c[nH+]2)CC1 ZINC001515457434 989047761 /nfs/dbraw/zinc/04/77/61/989047761.db2.gz AVANPPFOGNFJMS-UHFFFAOYSA-N 2 2 245.370 2.706 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258722932 991657145 /nfs/dbraw/zinc/65/71/45/991657145.db2.gz PJCKPXIILCQLIZ-KBPBESRZSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258722932 991657147 /nfs/dbraw/zinc/65/71/47/991657147.db2.gz PJCKPXIILCQLIZ-KBPBESRZSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258725675 991663060 /nfs/dbraw/zinc/66/30/60/991663060.db2.gz MVDGPHXRJFNTTF-XJKSGUPXSA-N 2 2 244.382 2.727 20 30 BFEDLP C=CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258725675 991663066 /nfs/dbraw/zinc/66/30/66/991663066.db2.gz MVDGPHXRJFNTTF-XJKSGUPXSA-N 2 2 244.382 2.727 20 30 BFEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@](C)(C#N)CC ZINC001258900289 991894216 /nfs/dbraw/zinc/89/42/16/991894216.db2.gz HWZUJNGGXXVRTJ-KBPBESRZSA-N 2 2 239.407 2.779 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336675276 398183495 /nfs/dbraw/zinc/18/34/95/398183495.db2.gz VDPSDSAICYJBPN-QWHCGFSZSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336675276 398183498 /nfs/dbraw/zinc/18/34/98/398183498.db2.gz VDPSDSAICYJBPN-QWHCGFSZSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000126754190 398219576 /nfs/dbraw/zinc/21/95/76/398219576.db2.gz LBKFXHQIGDVAIB-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000602712561 349704714 /nfs/dbraw/zinc/70/47/14/349704714.db2.gz UYZSNSHYSYUFBI-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000602712561 349704718 /nfs/dbraw/zinc/70/47/18/349704718.db2.gz UYZSNSHYSYUFBI-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2occc2C)CC1 ZINC000266172282 187234623 /nfs/dbraw/zinc/23/46/23/187234623.db2.gz CXERKTVFFDLPDC-UHFFFAOYSA-N 2 2 248.370 2.718 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000126775554 343171449 /nfs/dbraw/zinc/17/14/49/343171449.db2.gz LBVHEOBLKNAFED-ZDUSSCGKSA-N 2 2 221.348 2.608 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000583451519 344999210 /nfs/dbraw/zinc/99/92/10/344999210.db2.gz XOLWWRUTYNRWSJ-ZFWWWQNUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000583451519 344999212 /nfs/dbraw/zinc/99/92/12/344999212.db2.gz XOLWWRUTYNRWSJ-ZFWWWQNUSA-N 2 2 236.403 2.805 20 30 BFEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272065551 351452199 /nfs/dbraw/zinc/45/21/99/351452199.db2.gz XTHOQPDPYJXYPE-LBPRGKRZSA-N 2 2 246.358 2.529 20 30 BFEDLP CC(C)(C#N)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272065551 351452203 /nfs/dbraw/zinc/45/22/03/351452203.db2.gz XTHOQPDPYJXYPE-LBPRGKRZSA-N 2 2 246.358 2.529 20 30 BFEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000274179323 351562863 /nfs/dbraw/zinc/56/28/63/351562863.db2.gz FDOFVIRJFYYNJH-DZGCQCFKSA-N 2 2 243.354 2.605 20 30 BFEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000618887166 352157435 /nfs/dbraw/zinc/15/74/35/352157435.db2.gz LAFVEKCPXGVJEP-CHWSQXEVSA-N 2 2 246.358 2.529 20 30 BFEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000618887166 352157438 /nfs/dbraw/zinc/15/74/38/352157438.db2.gz LAFVEKCPXGVJEP-CHWSQXEVSA-N 2 2 246.358 2.529 20 30 BFEDLP C=CCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000336740339 352369558 /nfs/dbraw/zinc/36/95/58/352369558.db2.gz QBHHPWVSEGYCOL-UHFFFAOYSA-N 2 2 218.344 2.878 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000274796722 188265068 /nfs/dbraw/zinc/26/50/68/188265068.db2.gz DHOJJVYPJQFDBP-KBPBESRZSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000274796722 188265070 /nfs/dbraw/zinc/26/50/70/188265070.db2.gz DHOJJVYPJQFDBP-KBPBESRZSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CC[C@H](CC)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000281299688 353441193 /nfs/dbraw/zinc/44/11/93/353441193.db2.gz JEGYFWKJEAXVFI-LBPRGKRZSA-N 2 2 229.327 2.779 20 30 BFEDLP C#C[C@H]([NH2+]CCCc1c[nH+]ccc1C)C(C)(C)C ZINC000290170924 353650749 /nfs/dbraw/zinc/65/07/49/353650749.db2.gz MVOPSHBTZJDCNH-HNNXBMFYSA-N 2 2 244.382 2.960 20 30 BFEDLP C#C[C@@H]([NH2+]CCCc1c[nH+]ccc1C)C(C)(C)C ZINC000290170928 353650990 /nfs/dbraw/zinc/65/09/90/353650990.db2.gz MVOPSHBTZJDCNH-OAHLLOKOSA-N 2 2 244.382 2.960 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000344340218 354235890 /nfs/dbraw/zinc/23/58/90/354235890.db2.gz XZGLLVVVKBQHKI-YDHLFZDLSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000344340218 354235892 /nfs/dbraw/zinc/23/58/92/354235892.db2.gz XZGLLVVVKBQHKI-YDHLFZDLSA-N 2 2 236.403 2.804 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352030342 134044985 /nfs/dbraw/zinc/04/49/85/134044985.db2.gz VHMJPZJRVWEIEP-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352030342 134044986 /nfs/dbraw/zinc/04/49/86/134044986.db2.gz VHMJPZJRVWEIEP-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=C(C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423025371 192543193 /nfs/dbraw/zinc/54/31/93/192543193.db2.gz LOBFAWNJHQOALU-GOEBONIOSA-N 2 2 244.382 2.820 20 30 BFEDLP C=CC[N@@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000354650979 134169393 /nfs/dbraw/zinc/16/93/93/134169393.db2.gz PVPKZCRGMZPYDR-UHFFFAOYSA-N 2 2 230.355 2.973 20 30 BFEDLP C=CC[N@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000354650979 134169394 /nfs/dbraw/zinc/16/93/94/134169394.db2.gz PVPKZCRGMZPYDR-UHFFFAOYSA-N 2 2 230.355 2.973 20 30 BFEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358259896 134187359 /nfs/dbraw/zinc/18/73/59/134187359.db2.gz VDZALYGUBIXRON-CABCVRRESA-N 2 2 236.403 2.829 20 30 BFEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358259896 134187360 /nfs/dbraw/zinc/18/73/60/134187360.db2.gz VDZALYGUBIXRON-CABCVRRESA-N 2 2 236.403 2.829 20 30 BFEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361466260 134205579 /nfs/dbraw/zinc/20/55/79/134205579.db2.gz OXJCRUWIKNWZIX-ILXRZTDVSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361466260 134205580 /nfs/dbraw/zinc/20/55/80/134205580.db2.gz OXJCRUWIKNWZIX-ILXRZTDVSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000183836269 367051852 /nfs/dbraw/zinc/05/18/52/367051852.db2.gz XVVBRFZWEPDRKA-ZDUSSCGKSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459670774 203332547 /nfs/dbraw/zinc/33/25/47/203332547.db2.gz VWKPMBDSWCEIFC-CYBMUJFWSA-N 2 2 235.375 2.687 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000568239942 326332675 /nfs/dbraw/zinc/33/26/75/326332675.db2.gz VOSUBSWBPUCXQI-ZIAGYGMSSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000568239942 326332677 /nfs/dbraw/zinc/33/26/77/326332677.db2.gz VOSUBSWBPUCXQI-ZIAGYGMSSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCC(C)(C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000631220061 372243568 /nfs/dbraw/zinc/24/35/68/372243568.db2.gz PRWFJTNUGYTJMA-UHFFFAOYSA-N 2 2 235.375 2.811 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000631222362 372244922 /nfs/dbraw/zinc/24/49/22/372244922.db2.gz WKSDQHRIBFPPJV-STQMWFEESA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000631222362 372244924 /nfs/dbraw/zinc/24/49/24/372244924.db2.gz WKSDQHRIBFPPJV-STQMWFEESA-N 2 2 224.392 2.519 20 30 BFEDLP C=C[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132672244 384200120 /nfs/dbraw/zinc/20/01/20/384200120.db2.gz KRAOFYQNOKHVJN-HOCLYGCPSA-N 2 2 244.382 2.815 20 30 BFEDLP C=C[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132672244 384200125 /nfs/dbraw/zinc/20/01/25/384200125.db2.gz KRAOFYQNOKHVJN-HOCLYGCPSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000448064453 384946152 /nfs/dbraw/zinc/94/61/52/384946152.db2.gz GDWPVVWNOSJUCM-UHFFFAOYSA-N 2 2 234.387 2.559 20 30 BFEDLP C=CC(C)(C)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449483847 385182744 /nfs/dbraw/zinc/18/27/44/385182744.db2.gz CRYKSUNFPXIQOQ-UHFFFAOYSA-N 2 2 243.354 2.945 20 30 BFEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309521279 385659793 /nfs/dbraw/zinc/65/97/93/385659793.db2.gz AOLYQOXINOZUAZ-CHWSQXEVSA-N 2 2 224.392 2.661 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602723488 385818457 /nfs/dbraw/zinc/81/84/57/385818457.db2.gz BXYCJQVTYVVPFN-DZGCQCFKSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000602723488 385818461 /nfs/dbraw/zinc/81/84/61/385818461.db2.gz BXYCJQVTYVVPFN-DZGCQCFKSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347107241 386252587 /nfs/dbraw/zinc/25/25/87/386252587.db2.gz VCNALPKRROAORR-AWEZNQCLSA-N 2 2 232.327 2.501 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347107241 386252593 /nfs/dbraw/zinc/25/25/93/386252593.db2.gz VCNALPKRROAORR-AWEZNQCLSA-N 2 2 232.327 2.501 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000527738800 387704459 /nfs/dbraw/zinc/70/44/59/387704459.db2.gz WOBWTKQEBAUFBO-STQMWFEESA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000527738800 387704463 /nfs/dbraw/zinc/70/44/63/387704463.db2.gz WOBWTKQEBAUFBO-STQMWFEESA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453105215 387985421 /nfs/dbraw/zinc/98/54/21/387985421.db2.gz WDFHQPGKUITJME-MRXNPFEDSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000449320057 388172445 /nfs/dbraw/zinc/17/24/45/388172445.db2.gz LZRDFJOCUWKPPS-OLZOCXBDSA-N 2 2 212.381 2.661 20 30 BFEDLP C#CC[N@@H+](Cc1c[nH+]cn1CC)C1CCCCC1 ZINC000491414154 388292905 /nfs/dbraw/zinc/29/29/05/388292905.db2.gz BFPJOGNHJKZKHV-UHFFFAOYSA-N 2 2 245.370 2.671 20 30 BFEDLP C#CC[N@H+](Cc1c[nH+]cn1CC)C1CCCCC1 ZINC000491414154 388292907 /nfs/dbraw/zinc/29/29/07/388292907.db2.gz BFPJOGNHJKZKHV-UHFFFAOYSA-N 2 2 245.370 2.671 20 30 BFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185775216 134394901 /nfs/dbraw/zinc/39/49/01/134394901.db2.gz KPKDDHYFUZOFRA-ILXRZTDVSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185775157 134395069 /nfs/dbraw/zinc/39/50/69/134395069.db2.gz KPKDDHYFUZOFRA-SOUVJXGZSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309978291 134495350 /nfs/dbraw/zinc/49/53/50/134495350.db2.gz UYRNMUILFUAPDJ-IHRRRGAJSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309978291 134495352 /nfs/dbraw/zinc/49/53/52/134495352.db2.gz UYRNMUILFUAPDJ-IHRRRGAJSA-N 2 2 224.392 2.661 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)CC#N ZINC000347771119 136008665 /nfs/dbraw/zinc/00/86/65/136008665.db2.gz IHXXAPQSAOGZSU-ZDUSSCGKSA-N 2 2 231.343 2.557 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)CC#N ZINC000347771119 136008666 /nfs/dbraw/zinc/00/86/66/136008666.db2.gz IHXXAPQSAOGZSU-ZDUSSCGKSA-N 2 2 231.343 2.557 20 30 BFEDLP C=CC[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000061823389 166399571 /nfs/dbraw/zinc/39/95/71/166399571.db2.gz VYZWBNRYZLTUEI-UHFFFAOYSA-N 2 2 236.403 2.808 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000651667572 411133874 /nfs/dbraw/zinc/13/38/74/411133874.db2.gz HWTSFLQOSFEYHW-QWHCGFSZSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000651690789 411136337 /nfs/dbraw/zinc/13/63/37/411136337.db2.gz VTKGFNVMEABFCV-RBSFLKMASA-N 2 2 247.386 2.854 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651706114 411137255 /nfs/dbraw/zinc/13/72/55/411137255.db2.gz SVCDMIZRRYBPJP-RDBSUJKOSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651706114 411137256 /nfs/dbraw/zinc/13/72/56/411137256.db2.gz SVCDMIZRRYBPJP-RDBSUJKOSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000651749967 411141027 /nfs/dbraw/zinc/14/10/27/411141027.db2.gz QMLIYSDZSFFCKS-UONOGXRCSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000651767755 411142850 /nfs/dbraw/zinc/14/28/50/411142850.db2.gz KKZSAIJTXQDPIP-RDBSUJKOSA-N 2 2 245.370 2.532 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658097609 411244529 /nfs/dbraw/zinc/24/45/29/411244529.db2.gz YACFORXJJCVZSO-STQMWFEESA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658097609 411244531 /nfs/dbraw/zinc/24/45/31/411244531.db2.gz YACFORXJJCVZSO-STQMWFEESA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062425 411227806 /nfs/dbraw/zinc/22/78/06/411227806.db2.gz RMRCCJLFAQLWBZ-OLZOCXBDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062425 411227810 /nfs/dbraw/zinc/22/78/10/411227810.db2.gz RMRCCJLFAQLWBZ-OLZOCXBDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCCCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657505461 411540058 /nfs/dbraw/zinc/54/00/58/411540058.db2.gz ZWXBXVSNUJTITQ-UHFFFAOYSA-N 2 2 233.359 2.665 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657821803 411606856 /nfs/dbraw/zinc/60/68/56/411606856.db2.gz SXXYUDNESBWQTO-ZIAGYGMSSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657821800 411606930 /nfs/dbraw/zinc/60/69/30/411606930.db2.gz SXXYUDNESBWQTO-KBPBESRZSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000661380089 411763203 /nfs/dbraw/zinc/76/32/03/411763203.db2.gz DXOQFQLEUHWHMC-CQSZACIVSA-N 2 2 233.359 2.561 20 30 BFEDLP C=CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000661380089 411763205 /nfs/dbraw/zinc/76/32/05/411763205.db2.gz DXOQFQLEUHWHMC-CQSZACIVSA-N 2 2 233.359 2.561 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000651676358 487815461 /nfs/dbraw/zinc/81/54/61/487815461.db2.gz XGESINKKYREFQD-MGPQQGTHSA-N 2 2 233.359 2.606 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000651814035 487834651 /nfs/dbraw/zinc/83/46/51/487834651.db2.gz HLVAQABQYKWXMG-AGIUHOORSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000651814035 487834658 /nfs/dbraw/zinc/83/46/58/487834658.db2.gz HLVAQABQYKWXMG-AGIUHOORSA-N 2 2 245.370 2.601 20 30 BFEDLP CCC#C[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000677048218 487959321 /nfs/dbraw/zinc/95/93/21/487959321.db2.gz QDDAEEOIHMZDTD-HNNXBMFYSA-N 2 2 248.414 2.739 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000121018952 324000704 /nfs/dbraw/zinc/00/07/04/324000704.db2.gz RHAVMTHGICTPDK-SWLSCSKDSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000121018952 324000707 /nfs/dbraw/zinc/00/07/07/324000707.db2.gz RHAVMTHGICTPDK-SWLSCSKDSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCCC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000566245298 326022682 /nfs/dbraw/zinc/02/26/82/326022682.db2.gz HQMKIABDAOFWFY-OAHLLOKOSA-N 2 2 230.355 2.511 20 30 BFEDLP C=CCCC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000566245298 326022686 /nfs/dbraw/zinc/02/26/86/326022686.db2.gz HQMKIABDAOFWFY-OAHLLOKOSA-N 2 2 230.355 2.511 20 30 BFEDLP C=CCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557246 488003943 /nfs/dbraw/zinc/00/39/43/488003943.db2.gz BRGOJGGRGZVECM-INIZCTEOSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557246 488003948 /nfs/dbraw/zinc/00/39/48/488003948.db2.gz BRGOJGGRGZVECM-INIZCTEOSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000651666591 490129710 /nfs/dbraw/zinc/12/97/10/490129710.db2.gz HZYHJEURQGKENI-ZIAGYGMSSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC=C)CC2)C1 ZINC000651700754 490133902 /nfs/dbraw/zinc/13/39/02/490133902.db2.gz RUUBUYWCFLGJDK-GOEBONIOSA-N 2 2 248.414 2.971 20 30 BFEDLP C=C(CC)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000358639600 534398973 /nfs/dbraw/zinc/39/89/73/534398973.db2.gz ZPCNMHSIGHYVQF-UONOGXRCSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(CC)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000358639600 534398981 /nfs/dbraw/zinc/39/89/81/534398981.db2.gz ZPCNMHSIGHYVQF-UONOGXRCSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000340429687 534554551 /nfs/dbraw/zinc/55/45/51/534554551.db2.gz MDZCVHYMLIVXKI-OCCSQVGLSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000340429687 534554557 /nfs/dbraw/zinc/55/45/57/534554557.db2.gz MDZCVHYMLIVXKI-OCCSQVGLSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000340429685 534555384 /nfs/dbraw/zinc/55/53/84/534555384.db2.gz MDZCVHYMLIVXKI-JSGCOSHPSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000340429685 534555390 /nfs/dbraw/zinc/55/53/90/534555390.db2.gz MDZCVHYMLIVXKI-JSGCOSHPSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136733 583471869 /nfs/dbraw/zinc/47/18/69/583471869.db2.gz RBIZSAQGRXUVKI-GJZGRUSLSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136733 583471871 /nfs/dbraw/zinc/47/18/71/583471871.db2.gz RBIZSAQGRXUVKI-GJZGRUSLSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136733 583471875 /nfs/dbraw/zinc/47/18/75/583471875.db2.gz RBIZSAQGRXUVKI-GJZGRUSLSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136733 583471879 /nfs/dbraw/zinc/47/18/79/583471879.db2.gz RBIZSAQGRXUVKI-GJZGRUSLSA-N 2 2 236.403 2.901 20 30 BFEDLP C#CCC1([NH2+]CCCc2c[nH+]ccc2C)CCC1 ZINC000897350947 583929252 /nfs/dbraw/zinc/92/92/52/583929252.db2.gz QOXVIFCXRGUOST-UHFFFAOYSA-N 2 2 242.366 2.858 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903299391 584743360 /nfs/dbraw/zinc/74/33/60/584743360.db2.gz ARXHNAXFSZXVPU-MJBXVCDLSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903299391 584743361 /nfs/dbraw/zinc/74/33/61/584743361.db2.gz ARXHNAXFSZXVPU-MJBXVCDLSA-N 2 2 224.392 2.804 20 30 BFEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000774134989 585651225 /nfs/dbraw/zinc/65/12/25/585651225.db2.gz QIYXYSXNASWBKC-KFWWJZLASA-N 2 2 249.402 2.533 20 30 BFEDLP CN(C)c1cc[nH+]cc1C=[NH+]NCCC(C)(C)C ZINC000782907807 585826080 /nfs/dbraw/zinc/82/60/80/585826080.db2.gz PFLDMXDFEUQCLT-UHFFFAOYSA-N 2 2 248.374 2.507 20 30 BFEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976362 586860385 /nfs/dbraw/zinc/86/03/85/586860385.db2.gz KQYIUTCKBHPQKZ-RDBSUJKOSA-N 2 2 242.382 2.801 20 30 BFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC000876956836 590261106 /nfs/dbraw/zinc/26/11/06/590261106.db2.gz OTEDFQSUBZUHII-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000877095239 590281766 /nfs/dbraw/zinc/28/17/66/590281766.db2.gz PZTITVOQTQMLNQ-GOEBONIOSA-N 2 2 248.414 2.642 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000877095239 590281768 /nfs/dbraw/zinc/28/17/68/590281768.db2.gz PZTITVOQTQMLNQ-GOEBONIOSA-N 2 2 248.414 2.642 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000877970224 590461911 /nfs/dbraw/zinc/46/19/11/590461911.db2.gz LIUPMEXPQLPDAI-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000877970224 590461912 /nfs/dbraw/zinc/46/19/12/590461912.db2.gz LIUPMEXPQLPDAI-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252632 590529747 /nfs/dbraw/zinc/52/97/47/590529747.db2.gz QAOXTIBNRVWQKK-CQSZACIVSA-N 2 2 245.370 2.783 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252632 590529746 /nfs/dbraw/zinc/52/97/46/590529746.db2.gz QAOXTIBNRVWQKK-CQSZACIVSA-N 2 2 245.370 2.783 20 30 BFEDLP C#C[C@](C)(CC)[NH2+]Cc1c(C)cc(C)[nH+]c1C ZINC000878661011 590604704 /nfs/dbraw/zinc/60/47/04/590604704.db2.gz UDNRBNWEUJTOAZ-OAHLLOKOSA-N 2 2 230.355 2.898 20 30 BFEDLP C=C(C)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567740 591097220 /nfs/dbraw/zinc/09/72/20/591097220.db2.gz NGPNCQVVTZTVSX-OAHLLOKOSA-N 2 2 241.338 2.790 20 30 BFEDLP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000925692365 634322361 /nfs/dbraw/zinc/32/23/61/634322361.db2.gz JWWSAKASZBDNCS-OCCSQVGLSA-N 2 2 245.370 2.604 20 30 BFEDLP C#CCC1([NH2+]C[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC000933296109 642503015 /nfs/dbraw/zinc/50/30/15/642503015.db2.gz BPWQHXOFOAZSCW-OAHLLOKOSA-N 2 2 248.414 2.785 20 30 BFEDLP C#CCC1([NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC000933296109 642503021 /nfs/dbraw/zinc/50/30/21/642503021.db2.gz BPWQHXOFOAZSCW-OAHLLOKOSA-N 2 2 248.414 2.785 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925433198 646262731 /nfs/dbraw/zinc/26/27/31/646262731.db2.gz WSCXVYNEJWYQQI-BFHYXJOUSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925433198 646262740 /nfs/dbraw/zinc/26/27/40/646262740.db2.gz WSCXVYNEJWYQQI-BFHYXJOUSA-N 2 2 222.376 2.558 20 30 BFEDLP C=C(CC)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925692263 646418281 /nfs/dbraw/zinc/41/82/81/646418281.db2.gz NZVIFIBTICHQAN-GXTWGEPZSA-N 2 2 218.344 2.631 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C[C@H](C)[NH3+])CC1 ZINC001236885395 966610205 /nfs/dbraw/zinc/61/02/05/966610205.db2.gz GJOHYDOESCMSKZ-GXTWGEPZSA-N 2 2 222.376 2.568 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C)C[C@H](C)[NH3+])CC1 ZINC001236885395 966610222 /nfs/dbraw/zinc/61/02/22/966610222.db2.gz GJOHYDOESCMSKZ-GXTWGEPZSA-N 2 2 222.376 2.568 20 30 BFEDLP CCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003166 978948997 /nfs/dbraw/zinc/94/89/97/978948997.db2.gz KKKISEPGULTZLJ-KBPBESRZSA-N 2 2 224.392 2.783 20 30 BFEDLP CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003166 978948998 /nfs/dbraw/zinc/94/89/98/978948998.db2.gz KKKISEPGULTZLJ-KBPBESRZSA-N 2 2 224.392 2.783 20 30 BFEDLP C=CCc1cc(C)c[nH+]c1NC1(C)CC[NH2+]CC1 ZINC001168183273 963939953 /nfs/dbraw/zinc/93/99/53/963939953.db2.gz AVJVGBGMDUQQCU-UHFFFAOYSA-N 2 2 245.370 2.673 20 30 BFEDLP CCCCCCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000149305343 964931274 /nfs/dbraw/zinc/93/12/74/964931274.db2.gz LWCLRDVPQZAGJB-CYBMUJFWSA-N 2 2 212.381 2.641 20 30 BFEDLP CCCCCCCC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000149305343 964931279 /nfs/dbraw/zinc/93/12/79/964931279.db2.gz LWCLRDVPQZAGJB-CYBMUJFWSA-N 2 2 212.381 2.641 20 30 BFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCCCn1cc[nH+]c1 ZINC000829180425 968821715 /nfs/dbraw/zinc/82/17/15/968821715.db2.gz UMGFCQIDFHMLIG-CYBMUJFWSA-N 2 2 248.374 2.581 20 30 BFEDLP C=CCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209432452 969500144 /nfs/dbraw/zinc/50/01/44/969500144.db2.gz FGXYXPBLRYJZCK-LSDHHAIUSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209432452 969500149 /nfs/dbraw/zinc/50/01/49/969500149.db2.gz FGXYXPBLRYJZCK-LSDHHAIUSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209432452 969500162 /nfs/dbraw/zinc/50/01/62/969500162.db2.gz FGXYXPBLRYJZCK-LSDHHAIUSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209432452 969500168 /nfs/dbraw/zinc/50/01/68/969500168.db2.gz FGXYXPBLRYJZCK-LSDHHAIUSA-N 2 2 236.403 2.759 20 30 BFEDLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584749 975421354 /nfs/dbraw/zinc/42/13/54/975421354.db2.gz JWYKLSKPAUDIOH-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000944 978949134 /nfs/dbraw/zinc/94/91/34/978949134.db2.gz BVHMHQIFFDUMDZ-GJZGRUSLSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000944 978949138 /nfs/dbraw/zinc/94/91/38/978949138.db2.gz BVHMHQIFFDUMDZ-GJZGRUSLSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037374 978959355 /nfs/dbraw/zinc/95/93/55/978959355.db2.gz FSXNMGBLCFINIK-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037374 978959360 /nfs/dbraw/zinc/95/93/60/978959360.db2.gz FSXNMGBLCFINIK-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CC[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001200526182 983109619 /nfs/dbraw/zinc/10/96/19/983109619.db2.gz OMHPWAYTAUAXRE-NSHDSACASA-N 2 2 247.367 2.988 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246794537 988469431 /nfs/dbraw/zinc/46/94/31/988469431.db2.gz JSNJMQSSKMAYHX-INIZCTEOSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246794537 988469438 /nfs/dbraw/zinc/46/94/38/988469438.db2.gz JSNJMQSSKMAYHX-INIZCTEOSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258732092 991676111 /nfs/dbraw/zinc/67/61/11/991676111.db2.gz IXTOQMVQGHCXJC-OLZOCXBDSA-N 2 2 233.359 2.877 20 30 BFEDLP CCCCCCC[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC000379451738 993243131 /nfs/dbraw/zinc/24/31/31/993243131.db2.gz BNWDLWOHIDFENI-ZDUSSCGKSA-N 2 2 226.408 2.887 20 30 BFEDLP C#CC(C)(C)[N@@H+](C)Cc1[nH+]cc(C)c(OC)c1C ZINC000286164623 398248869 /nfs/dbraw/zinc/24/88/69/398248869.db2.gz OFXKKLXNMNCAQK-UHFFFAOYSA-N 2 2 246.354 2.551 20 30 BFEDLP C#CC(C)(C)[N@H+](C)Cc1[nH+]cc(C)c(OC)c1C ZINC000286164623 398248871 /nfs/dbraw/zinc/24/88/71/398248871.db2.gz OFXKKLXNMNCAQK-UHFFFAOYSA-N 2 2 246.354 2.551 20 30 BFEDLP C=CCC[C@H]([NH2+]Cc1c[nH+]cn1C)c1ccco1 ZINC000289578538 538945891 /nfs/dbraw/zinc/94/58/91/538945891.db2.gz BITKLGPSYFEOLE-ZDUSSCGKSA-N 2 2 245.326 2.810 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381582349 539004052 /nfs/dbraw/zinc/00/40/52/539004052.db2.gz FXORZWLBXFYYDU-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381582349 539004054 /nfs/dbraw/zinc/00/40/54/539004054.db2.gz FXORZWLBXFYYDU-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=C1CC[NH+](CCC[NH+]2CCC(=C)CC2)CC1 ZINC000265801393 187234719 /nfs/dbraw/zinc/23/47/19/187234719.db2.gz CADHPPXWRJTOOV-UHFFFAOYSA-N 2 2 234.387 2.681 20 30 BFEDLP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439360 347263614 /nfs/dbraw/zinc/26/36/14/347263614.db2.gz TYWBRNJOZMQNGZ-OLZOCXBDSA-N 2 2 247.386 2.910 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000117878460 350229582 /nfs/dbraw/zinc/22/95/82/350229582.db2.gz ZFNUOOOJGUJRCT-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000117878460 350229585 /nfs/dbraw/zinc/22/95/85/350229585.db2.gz ZFNUOOOJGUJRCT-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000359334491 323353879 /nfs/dbraw/zinc/35/38/79/323353879.db2.gz CMJUKABLLCDIRU-KBPBESRZSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000359334491 323353882 /nfs/dbraw/zinc/35/38/82/323353882.db2.gz CMJUKABLLCDIRU-KBPBESRZSA-N 2 2 236.403 2.948 20 30 BFEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272065550 351452543 /nfs/dbraw/zinc/45/25/43/351452543.db2.gz XTHOQPDPYJXYPE-GFCCVEGCSA-N 2 2 246.358 2.529 20 30 BFEDLP CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272065550 351452545 /nfs/dbraw/zinc/45/25/45/351452545.db2.gz XTHOQPDPYJXYPE-GFCCVEGCSA-N 2 2 246.358 2.529 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000121019104 324001018 /nfs/dbraw/zinc/00/10/18/324001018.db2.gz RHAVMTHGICTPDK-IUODEOHRSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000121019104 324001021 /nfs/dbraw/zinc/00/10/21/324001021.db2.gz RHAVMTHGICTPDK-IUODEOHRSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000284269451 353510693 /nfs/dbraw/zinc/51/06/93/353510693.db2.gz WUAPVOBWJRLDNM-AWEZNQCLSA-N 2 2 234.387 2.725 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289333099 353612992 /nfs/dbraw/zinc/61/29/92/353612992.db2.gz DVQUMDCJACLTAY-CVEARBPZSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289333099 353612995 /nfs/dbraw/zinc/61/29/95/353612995.db2.gz DVQUMDCJACLTAY-CVEARBPZSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[N@@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000290423100 353663482 /nfs/dbraw/zinc/66/34/82/353663482.db2.gz RDKKRBVOQYZMDG-UHFFFAOYSA-N 2 2 230.355 2.973 20 30 BFEDLP C=CC[N@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000290423100 353663484 /nfs/dbraw/zinc/66/34/84/353663484.db2.gz RDKKRBVOQYZMDG-UHFFFAOYSA-N 2 2 230.355 2.973 20 30 BFEDLP C=C(C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000343756186 353973249 /nfs/dbraw/zinc/97/32/49/353973249.db2.gz ASWSTUHUFFOORB-GOEBONIOSA-N 2 2 244.382 2.630 20 30 BFEDLP C=C(C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000343756186 353973251 /nfs/dbraw/zinc/97/32/51/353973251.db2.gz ASWSTUHUFFOORB-GOEBONIOSA-N 2 2 244.382 2.630 20 30 BFEDLP C=C(C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000343756184 353973644 /nfs/dbraw/zinc/97/36/44/353973644.db2.gz ASWSTUHUFFOORB-GDBMZVCRSA-N 2 2 244.382 2.630 20 30 BFEDLP C=C(C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000343756184 353973648 /nfs/dbraw/zinc/97/36/48/353973648.db2.gz ASWSTUHUFFOORB-GDBMZVCRSA-N 2 2 244.382 2.630 20 30 BFEDLP C=C(C)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346334686 354898838 /nfs/dbraw/zinc/89/88/38/354898838.db2.gz SEFGXXZQOJRIBS-UHFFFAOYSA-N 2 2 247.367 2.942 20 30 BFEDLP C=C(C)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346334686 354898842 /nfs/dbraw/zinc/89/88/42/354898842.db2.gz SEFGXXZQOJRIBS-UHFFFAOYSA-N 2 2 247.367 2.942 20 30 BFEDLP C=CCCC[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420388726 192235677 /nfs/dbraw/zinc/23/56/77/192235677.db2.gz MJYWZQPWAIZVHW-DZGCQCFKSA-N 2 2 248.345 2.518 20 30 BFEDLP C=CCCC[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420388726 192235679 /nfs/dbraw/zinc/23/56/79/192235679.db2.gz MJYWZQPWAIZVHW-DZGCQCFKSA-N 2 2 248.345 2.518 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000582339418 357083931 /nfs/dbraw/zinc/08/39/31/357083931.db2.gz ZAPAPHCYAJQXGG-HIFRSBDPSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000582339418 357083933 /nfs/dbraw/zinc/08/39/33/357083933.db2.gz ZAPAPHCYAJQXGG-HIFRSBDPSA-N 2 2 236.403 2.663 20 30 BFEDLP CCC#C[C@@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640018167 358080451 /nfs/dbraw/zinc/08/04/51/358080451.db2.gz UNASHLBZBITRET-CQSZACIVSA-N 2 2 236.403 2.595 20 30 BFEDLP C=C(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000386862141 368028730 /nfs/dbraw/zinc/02/87/30/368028730.db2.gz JRJDJXJTOGWLCO-UHFFFAOYSA-N 2 2 241.338 2.928 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)CC)CC1 ZINC000167400427 205950363 /nfs/dbraw/zinc/95/03/63/205950363.db2.gz QVYKBVWXZOZTCR-QWHCGFSZSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000167403494 206145406 /nfs/dbraw/zinc/14/54/06/206145406.db2.gz JPGJXEZEDJCXKP-GFCCVEGCSA-N 2 2 224.392 2.661 20 30 BFEDLP C=C[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132672460 384199757 /nfs/dbraw/zinc/19/97/57/384199757.db2.gz KRAOFYQNOKHVJN-ZBFHGGJFSA-N 2 2 244.382 2.815 20 30 BFEDLP C=C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132672460 384199763 /nfs/dbraw/zinc/19/97/63/384199763.db2.gz KRAOFYQNOKHVJN-ZBFHGGJFSA-N 2 2 244.382 2.815 20 30 BFEDLP C=C(CC)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000313497643 384429730 /nfs/dbraw/zinc/42/97/30/384429730.db2.gz FCWITDOEGHLHFY-UHFFFAOYSA-N 2 2 241.338 2.928 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354240 386490770 /nfs/dbraw/zinc/49/07/70/386490770.db2.gz LNGSVLKLPGZPHQ-CYBMUJFWSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccco1 ZINC000423468507 387316728 /nfs/dbraw/zinc/31/67/28/387316728.db2.gz OKPBHEQEICXQSA-UTUOFQBUSA-N 2 2 222.332 2.612 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccco1 ZINC000423468496 387317234 /nfs/dbraw/zinc/31/72/34/387317234.db2.gz OKPBHEQEICXQSA-SRVKXCTJSA-N 2 2 222.332 2.612 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)c1ccco1 ZINC000423476964 387323693 /nfs/dbraw/zinc/32/36/93/387323693.db2.gz SYKQXXKBOFRFGT-RYUDHWBXSA-N 2 2 222.332 2.614 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000648432408 387843007 /nfs/dbraw/zinc/84/30/07/387843007.db2.gz GQSIMXBHBNKJGT-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000648432408 387843012 /nfs/dbraw/zinc/84/30/12/387843012.db2.gz GQSIMXBHBNKJGT-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423165176 387948725 /nfs/dbraw/zinc/94/87/25/387948725.db2.gz ASAVOBFCEKCJQU-KBPBESRZSA-N 2 2 243.354 2.661 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccco1 ZINC000423183247 387968538 /nfs/dbraw/zinc/96/85/38/387968538.db2.gz HLWUEAOEYJCAQD-STQMWFEESA-N 2 2 234.343 2.629 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000438984035 387972531 /nfs/dbraw/zinc/97/25/31/387972531.db2.gz DHCKEWPJYWNKQF-KCXAZCMYSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000438984035 387972534 /nfs/dbraw/zinc/97/25/34/387972534.db2.gz DHCKEWPJYWNKQF-KCXAZCMYSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccco1 ZINC000423283514 388065933 /nfs/dbraw/zinc/06/59/33/388065933.db2.gz FKZKFIXSAVUXEE-NSHDSACASA-N 2 2 222.332 2.614 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000449227924 388159696 /nfs/dbraw/zinc/15/96/96/388159696.db2.gz WQJZIQZFVLVRCH-QWHCGFSZSA-N 2 2 212.381 2.661 20 30 BFEDLP C=C(C)CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449480753 388215368 /nfs/dbraw/zinc/21/53/68/388215368.db2.gz ZMHQZSXKBISHOU-UHFFFAOYSA-N 2 2 218.344 2.878 20 30 BFEDLP C#C[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(C)C ZINC000491694373 388311680 /nfs/dbraw/zinc/31/16/80/388311680.db2.gz MBAMZIMUMAYAAE-OAHLLOKOSA-N 2 2 230.355 2.570 20 30 BFEDLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423309795 388691294 /nfs/dbraw/zinc/69/12/94/388691294.db2.gz LZRHXOLGMSYXPE-OAHLLOKOSA-N 2 2 245.370 2.599 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103062 134217384 /nfs/dbraw/zinc/21/73/84/134217384.db2.gz RWCAEGJGBWOUOX-CHWSQXEVSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103062 134217385 /nfs/dbraw/zinc/21/73/85/134217385.db2.gz RWCAEGJGBWOUOX-CHWSQXEVSA-N 2 2 247.386 2.992 20 30 BFEDLP C=C(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000309398978 134399481 /nfs/dbraw/zinc/39/94/81/134399481.db2.gz VWISDAATZZEATK-UHFFFAOYSA-N 2 2 233.340 2.600 20 30 BFEDLP C=CCC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544386 135039431 /nfs/dbraw/zinc/03/94/31/135039431.db2.gz NOVSDIVTGMLJAO-ZNMIVQPWSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544386 135039434 /nfs/dbraw/zinc/03/94/34/135039434.db2.gz NOVSDIVTGMLJAO-ZNMIVQPWSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544386 135039437 /nfs/dbraw/zinc/03/94/37/135039437.db2.gz NOVSDIVTGMLJAO-ZNMIVQPWSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544386 135039439 /nfs/dbraw/zinc/03/94/39/135039439.db2.gz NOVSDIVTGMLJAO-ZNMIVQPWSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000338544384 135039579 /nfs/dbraw/zinc/03/95/79/135039579.db2.gz NOVSDIVTGMLJAO-KKUMJFAQSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000338544384 135039580 /nfs/dbraw/zinc/03/95/80/135039580.db2.gz NOVSDIVTGMLJAO-KKUMJFAQSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccco1 ZINC000276426478 166301095 /nfs/dbraw/zinc/30/10/95/166301095.db2.gz ICVGTGODBSYWOF-AWEZNQCLSA-N 2 2 248.370 2.971 20 30 BFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052376313 166338406 /nfs/dbraw/zinc/33/84/06/166338406.db2.gz QSZQBEFGPXEBRE-HNNXBMFYSA-N 2 2 238.419 2.931 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000173398392 166353879 /nfs/dbraw/zinc/35/38/79/166353879.db2.gz BGGJAIZDQBLLCM-AWEZNQCLSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000651695037 411136731 /nfs/dbraw/zinc/13/67/31/411136731.db2.gz YZNAREFJYHPKCF-UONOGXRCSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000651695037 411136732 /nfs/dbraw/zinc/13/67/32/411136732.db2.gz YZNAREFJYHPKCF-UONOGXRCSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000651707269 411137235 /nfs/dbraw/zinc/13/72/35/411137235.db2.gz DXUAJDYKZNFJEO-BFHYXJOUSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000651707269 411137236 /nfs/dbraw/zinc/13/72/36/411137236.db2.gz DXUAJDYKZNFJEO-BFHYXJOUSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000651752568 411141707 /nfs/dbraw/zinc/14/17/07/411141707.db2.gz LGNADJZURPHJGN-RBSFLKMASA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000651752568 411141708 /nfs/dbraw/zinc/14/17/08/411141708.db2.gz LGNADJZURPHJGN-RBSFLKMASA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000651767752 411142926 /nfs/dbraw/zinc/14/29/26/411142926.db2.gz KKZSAIJTXQDPIP-HZSPNIEDSA-N 2 2 245.370 2.532 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595054751 411149452 /nfs/dbraw/zinc/14/94/52/411149452.db2.gz VFWGZNFQIGKYSP-BFHYXJOUSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595054751 411149453 /nfs/dbraw/zinc/14/94/53/411149453.db2.gz VFWGZNFQIGKYSP-BFHYXJOUSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000657927663 411168902 /nfs/dbraw/zinc/16/89/02/411168902.db2.gz VMWMTWOHXGARQK-LJISPDSOSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000657927663 411168903 /nfs/dbraw/zinc/16/89/03/411168903.db2.gz VMWMTWOHXGARQK-LJISPDSOSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000656787554 411365869 /nfs/dbraw/zinc/36/58/69/411365869.db2.gz MURMKIKEFWOQPZ-UONOGXRCSA-N 2 2 224.392 2.648 20 30 BFEDLP C=CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000656787554 411365870 /nfs/dbraw/zinc/36/58/70/411365870.db2.gz MURMKIKEFWOQPZ-UONOGXRCSA-N 2 2 224.392 2.648 20 30 BFEDLP C=C(C[NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000657333923 411463713 /nfs/dbraw/zinc/46/37/13/411463713.db2.gz DPVZIIPKASKRDC-UHFFFAOYSA-N 2 2 241.338 2.532 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657583048 411554358 /nfs/dbraw/zinc/55/43/58/411554358.db2.gz VQYXIWDQHYCMPP-GOEBONIOSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657583048 411554360 /nfs/dbraw/zinc/55/43/60/411554360.db2.gz VQYXIWDQHYCMPP-GOEBONIOSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCC1([NH2+]Cc2c[nH+]c(C)n2C)CCCC1 ZINC000657702720 411583271 /nfs/dbraw/zinc/58/32/71/411583271.db2.gz OSWBJICKXONHPY-UHFFFAOYSA-N 2 2 233.359 2.707 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CCC)C2)C1 ZINC000657741019 411588813 /nfs/dbraw/zinc/58/88/13/411588813.db2.gz AAKIOPFISGRYOS-ILXRZTDVSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CCC)C2)C1 ZINC000657741019 411588815 /nfs/dbraw/zinc/58/88/15/411588815.db2.gz AAKIOPFISGRYOS-ILXRZTDVSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000657815521 411604678 /nfs/dbraw/zinc/60/46/78/411604678.db2.gz GFVBHVQYMCTTIC-LSDHHAIUSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000661115055 411712955 /nfs/dbraw/zinc/71/29/55/411712955.db2.gz OSAIRNRTQJBFJR-DGCLKSJQSA-N 2 2 219.332 2.634 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000651676356 487815497 /nfs/dbraw/zinc/81/54/97/487815497.db2.gz XGESINKKYREFQD-BFHYXJOUSA-N 2 2 233.359 2.606 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000651676359 487815508 /nfs/dbraw/zinc/81/55/08/487815508.db2.gz XGESINKKYREFQD-MJBXVCDLSA-N 2 2 233.359 2.606 20 30 BFEDLP C=CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309969274 487877652 /nfs/dbraw/zinc/87/76/52/487877652.db2.gz HUVXFGNOSVOLKI-ZBFHGGJFSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309969274 487877657 /nfs/dbraw/zinc/87/76/57/487877657.db2.gz HUVXFGNOSVOLKI-ZBFHGGJFSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245492639 323006387 /nfs/dbraw/zinc/00/63/87/323006387.db2.gz JWKYZEBBGQUKBJ-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245492639 323006388 /nfs/dbraw/zinc/00/63/88/323006388.db2.gz JWKYZEBBGQUKBJ-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245492639 323006389 /nfs/dbraw/zinc/00/63/89/323006389.db2.gz JWKYZEBBGQUKBJ-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245492639 323006390 /nfs/dbraw/zinc/00/63/90/323006390.db2.gz JWKYZEBBGQUKBJ-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C[N@@H+]1C1CC1 ZINC000151055908 323007220 /nfs/dbraw/zinc/00/72/20/323007220.db2.gz KRZWQKJSGMZQSC-STQMWFEESA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C[N@H+]1C1CC1 ZINC000151055908 323007221 /nfs/dbraw/zinc/00/72/21/323007221.db2.gz KRZWQKJSGMZQSC-STQMWFEESA-N 2 2 249.402 2.531 20 30 BFEDLP CCC#C[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000677048219 487959415 /nfs/dbraw/zinc/95/94/15/487959415.db2.gz QDDAEEOIHMZDTD-OAHLLOKOSA-N 2 2 248.414 2.739 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000126816229 324721124 /nfs/dbraw/zinc/72/11/24/324721124.db2.gz KALQPAQELGWSLD-KBPBESRZSA-N 2 2 226.408 2.907 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000121084556 490074724 /nfs/dbraw/zinc/07/47/24/490074724.db2.gz SRFCOKFCGZZMMV-JKSUJKDBSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000121084556 490074721 /nfs/dbraw/zinc/07/47/21/490074721.db2.gz SRFCOKFCGZZMMV-JKSUJKDBSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389864320 488120824 /nfs/dbraw/zinc/12/08/24/488120824.db2.gz JWZVFJIOVZLLKJ-HOCLYGCPSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389864320 488120828 /nfs/dbraw/zinc/12/08/28/488120828.db2.gz JWZVFJIOVZLLKJ-HOCLYGCPSA-N 2 2 244.382 2.673 20 30 BFEDLP C=C(CC)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358494728 534383087 /nfs/dbraw/zinc/38/30/87/534383087.db2.gz SNMJRIQUZOTKRO-UHFFFAOYSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123181087 534666750 /nfs/dbraw/zinc/66/67/50/534666750.db2.gz PMSMJADAIWAUSF-LBPRGKRZSA-N 2 2 227.311 2.536 20 30 BFEDLP C#CC[N@@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000897170912 583889200 /nfs/dbraw/zinc/88/92/00/583889200.db2.gz KVDNTJVIEDMLCV-UHFFFAOYSA-N 2 2 230.355 2.666 20 30 BFEDLP C#CC[N@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000897170912 583889201 /nfs/dbraw/zinc/88/92/01/583889201.db2.gz KVDNTJVIEDMLCV-UHFFFAOYSA-N 2 2 230.355 2.666 20 30 BFEDLP C=CCCC[N@H+](CC)Cc1c[nH+]c(C)n1C ZINC000898244371 584099766 /nfs/dbraw/zinc/09/97/66/584099766.db2.gz IFGYAIFHWKJCGU-UHFFFAOYSA-N 2 2 221.348 2.517 20 30 BFEDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903716970 584792653 /nfs/dbraw/zinc/79/26/53/584792653.db2.gz FNRYHKMLEOARBB-CQSZACIVSA-N 2 2 249.402 2.534 20 30 BFEDLP C[NH2+]C[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903716970 584792654 /nfs/dbraw/zinc/79/26/54/584792654.db2.gz FNRYHKMLEOARBB-CQSZACIVSA-N 2 2 249.402 2.534 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000747870325 585184896 /nfs/dbraw/zinc/18/48/96/585184896.db2.gz RPRMCWLJZAZUJY-UKRRQHHQSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000747870325 585184897 /nfs/dbraw/zinc/18/48/97/585184897.db2.gz RPRMCWLJZAZUJY-UKRRQHHQSA-N 2 2 236.403 2.805 20 30 BFEDLP C#CCCC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000766917774 585511387 /nfs/dbraw/zinc/51/13/87/585511387.db2.gz OJRVVTJDEZULLS-OWCLPIDISA-N 2 2 248.414 2.737 20 30 BFEDLP C#CCCC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000766917774 585511388 /nfs/dbraw/zinc/51/13/88/585511388.db2.gz OJRVVTJDEZULLS-OWCLPIDISA-N 2 2 248.414 2.737 20 30 BFEDLP C#CCCC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000766917774 585511389 /nfs/dbraw/zinc/51/13/89/585511389.db2.gz OJRVVTJDEZULLS-OWCLPIDISA-N 2 2 248.414 2.737 20 30 BFEDLP C#CCCC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000766917774 585511390 /nfs/dbraw/zinc/51/13/90/585511390.db2.gz OJRVVTJDEZULLS-OWCLPIDISA-N 2 2 248.414 2.737 20 30 BFEDLP C#CC[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862444753 589214302 /nfs/dbraw/zinc/21/43/02/589214302.db2.gz GMCAOKGMCHIYDC-OAHLLOKOSA-N 2 2 242.366 2.668 20 30 BFEDLP C#CC[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862444753 589214304 /nfs/dbraw/zinc/21/43/04/589214304.db2.gz GMCAOKGMCHIYDC-OAHLLOKOSA-N 2 2 242.366 2.668 20 30 BFEDLP C=CC(C)(C)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000873151667 589986960 /nfs/dbraw/zinc/98/69/60/589986960.db2.gz OJXPFFYZCLEFSV-UHFFFAOYSA-N 2 2 247.386 2.911 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000877095240 590281820 /nfs/dbraw/zinc/28/18/20/590281820.db2.gz PZTITVOQTQMLNQ-HOCLYGCPSA-N 2 2 248.414 2.642 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000877095240 590281823 /nfs/dbraw/zinc/28/18/23/590281823.db2.gz PZTITVOQTQMLNQ-HOCLYGCPSA-N 2 2 248.414 2.642 20 30 BFEDLP C#CCCCCCC[NH2+]CC1([NH+](C)C)CCC1 ZINC000877462843 590328732 /nfs/dbraw/zinc/32/87/32/590328732.db2.gz WEWAQKBZGVHGJM-UHFFFAOYSA-N 2 2 236.403 2.644 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000877636327 590380598 /nfs/dbraw/zinc/38/05/98/590380598.db2.gz UANMOKYPTHSXBN-HNNXBMFYSA-N 2 2 236.403 2.644 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000877636327 590380601 /nfs/dbraw/zinc/38/06/01/590380601.db2.gz UANMOKYPTHSXBN-HNNXBMFYSA-N 2 2 236.403 2.644 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000877970227 590461897 /nfs/dbraw/zinc/46/18/97/590461897.db2.gz LIUPMEXPQLPDAI-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000877970227 590461898 /nfs/dbraw/zinc/46/18/98/590461898.db2.gz LIUPMEXPQLPDAI-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C#CCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172868 590515032 /nfs/dbraw/zinc/51/50/32/590515032.db2.gz NCMNKHUAACGOSE-UHFFFAOYSA-N 2 2 245.370 2.714 20 30 BFEDLP C#CCCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000878267231 590531988 /nfs/dbraw/zinc/53/19/88/590531988.db2.gz RTKMFPJGLIDWMD-UHFFFAOYSA-N 2 2 245.370 2.783 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000878569103 590593202 /nfs/dbraw/zinc/59/32/02/590593202.db2.gz MRQUEIAUNDODDZ-BPUTZDHNSA-N 2 2 244.382 2.986 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000878569103 590593204 /nfs/dbraw/zinc/59/32/04/590593204.db2.gz MRQUEIAUNDODDZ-BPUTZDHNSA-N 2 2 244.382 2.986 20 30 BFEDLP C=CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571200 591098003 /nfs/dbraw/zinc/09/80/03/591098003.db2.gz OQXOSFVRUXDOML-OAHLLOKOSA-N 2 2 241.338 2.790 20 30 BFEDLP C=C(CC)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926549139 645270255 /nfs/dbraw/zinc/27/02/55/645270255.db2.gz FGTRMKCCRJDPRK-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(CC)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926549139 645270261 /nfs/dbraw/zinc/27/02/61/645270261.db2.gz FGTRMKCCRJDPRK-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924983401 646150843 /nfs/dbraw/zinc/15/08/43/646150843.db2.gz FFKYUTAHVGBDIL-UHFFFAOYSA-N 2 2 248.414 2.949 20 30 BFEDLP C=C(Cl)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925437422 646281309 /nfs/dbraw/zinc/28/13/09/646281309.db2.gz NILKTRGTGLEJCR-UHFFFAOYSA-N 2 2 244.810 2.839 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926197209 646592872 /nfs/dbraw/zinc/59/28/72/646592872.db2.gz CWHBHCHAGXGKFO-HUUCEWRRSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926197209 646592875 /nfs/dbraw/zinc/59/28/75/646592875.db2.gz CWHBHCHAGXGKFO-HUUCEWRRSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926323885 646616020 /nfs/dbraw/zinc/61/60/20/646616020.db2.gz OVUCABWKLGDUDD-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926323885 646616025 /nfs/dbraw/zinc/61/60/25/646616025.db2.gz OVUCABWKLGDUDD-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209427026 969499018 /nfs/dbraw/zinc/49/90/18/969499018.db2.gz DJHDTNADILXOIN-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001209427026 969499029 /nfs/dbraw/zinc/49/90/29/969499029.db2.gz DJHDTNADILXOIN-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235071587 978967454 /nfs/dbraw/zinc/96/74/54/978967454.db2.gz BVHMHQIFFDUMDZ-HUUCEWRRSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235071587 978967460 /nfs/dbraw/zinc/96/74/60/978967460.db2.gz BVHMHQIFFDUMDZ-HUUCEWRRSA-N 2 2 236.403 2.949 20 30 BFEDLP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910496 979202903 /nfs/dbraw/zinc/20/29/03/979202903.db2.gz QIWMSAXSEWEQHB-QWHCGFSZSA-N 2 2 230.371 2.718 20 30 BFEDLP CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910496 979202917 /nfs/dbraw/zinc/20/29/17/979202917.db2.gz QIWMSAXSEWEQHB-QWHCGFSZSA-N 2 2 230.371 2.718 20 30 BFEDLP CCCCCCC[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201762688 983464670 /nfs/dbraw/zinc/46/46/70/983464670.db2.gz QVNPOJGOSRQJBA-UHFFFAOYSA-N 2 2 235.375 2.978 20 30 BFEDLP CCCCCCC[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201762688 983464681 /nfs/dbraw/zinc/46/46/81/983464681.db2.gz QVNPOJGOSRQJBA-UHFFFAOYSA-N 2 2 235.375 2.978 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC001236116913 966271574 /nfs/dbraw/zinc/27/15/74/966271574.db2.gz FWEOAFBOEIULBJ-CVEARBPZSA-N 2 2 248.414 2.973 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC001236116913 966271589 /nfs/dbraw/zinc/27/15/89/966271589.db2.gz FWEOAFBOEIULBJ-CVEARBPZSA-N 2 2 248.414 2.973 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC001204849183 967200461 /nfs/dbraw/zinc/20/04/61/967200461.db2.gz YQLUMPJOKABMCG-MRXNPFEDSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC001204849183 967200473 /nfs/dbraw/zinc/20/04/73/967200473.db2.gz YQLUMPJOKABMCG-MRXNPFEDSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001205164647 967406552 /nfs/dbraw/zinc/40/65/52/967406552.db2.gz KSJAPPBGTSMVTB-MRXNPFEDSA-N 2 2 244.382 2.989 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001205164647 967406564 /nfs/dbraw/zinc/40/65/64/967406564.db2.gz KSJAPPBGTSMVTB-MRXNPFEDSA-N 2 2 244.382 2.989 20 30 BFEDLP C=CCCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209427026 969499004 /nfs/dbraw/zinc/49/90/04/969499004.db2.gz DJHDTNADILXOIN-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209427026 969499011 /nfs/dbraw/zinc/49/90/11/969499011.db2.gz DJHDTNADILXOIN-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001209432402 969502480 /nfs/dbraw/zinc/50/24/80/969502480.db2.gz DVIJUFAGKKOJGJ-UHFFFAOYSA-N 2 2 235.375 2.951 20 30 BFEDLP C=CCCCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001209432402 969502487 /nfs/dbraw/zinc/50/24/87/969502487.db2.gz DVIJUFAGKKOJGJ-UHFFFAOYSA-N 2 2 235.375 2.951 20 30 BFEDLP C=C[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC001169244213 969527753 /nfs/dbraw/zinc/52/77/53/969527753.db2.gz IHGSASWTGHTFEP-MRXNPFEDSA-N 2 2 244.382 2.988 20 30 BFEDLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254650907 969763412 /nfs/dbraw/zinc/76/34/12/969763412.db2.gz YXERSJXTYNHBEG-RDBSUJKOSA-N 2 2 249.402 2.531 20 30 BFEDLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254650907 969763414 /nfs/dbraw/zinc/76/34/14/969763414.db2.gz YXERSJXTYNHBEG-RDBSUJKOSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H](CCCC#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172502339 974856164 /nfs/dbraw/zinc/85/61/64/974856164.db2.gz UPRBFKXAKDEHLF-CYBMUJFWSA-N 2 2 246.358 2.602 20 30 BFEDLP C[C@@H](CCCC#N)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172502979 974856933 /nfs/dbraw/zinc/85/69/33/974856933.db2.gz XOSXXETVIZSKJA-STQMWFEESA-N 2 2 246.358 2.605 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001235066711 978966623 /nfs/dbraw/zinc/96/66/23/978966623.db2.gz UUWUBODMWZKIKU-HZPDHXFCSA-N 2 2 246.398 2.727 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001235066711 978966627 /nfs/dbraw/zinc/96/66/27/978966627.db2.gz UUWUBODMWZKIKU-HZPDHXFCSA-N 2 2 246.398 2.727 20 30 BFEDLP CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235075673 978970127 /nfs/dbraw/zinc/97/01/27/978970127.db2.gz KKKISEPGULTZLJ-ZIAGYGMSSA-N 2 2 224.392 2.783 20 30 BFEDLP CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235075673 978970131 /nfs/dbraw/zinc/97/01/31/978970131.db2.gz KKKISEPGULTZLJ-ZIAGYGMSSA-N 2 2 224.392 2.783 20 30 BFEDLP CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235440 979004897 /nfs/dbraw/zinc/00/48/97/979004897.db2.gz KKKISEPGULTZLJ-KGLIPLIRSA-N 2 2 224.392 2.783 20 30 BFEDLP CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235440 979004901 /nfs/dbraw/zinc/00/49/01/979004901.db2.gz KKKISEPGULTZLJ-KGLIPLIRSA-N 2 2 224.392 2.783 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508647 987862450 /nfs/dbraw/zinc/86/24/50/987862450.db2.gz WMOSKJXWAUITRW-GXTWGEPZSA-N 2 2 218.344 2.631 20 30 BFEDLP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246658931 988385792 /nfs/dbraw/zinc/38/57/92/988385792.db2.gz QHIVWSRGMXERBR-YSEJDXQZSA-N 2 2 246.398 2.544 20 30 BFEDLP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246658931 988385803 /nfs/dbraw/zinc/38/58/03/988385803.db2.gz QHIVWSRGMXERBR-YSEJDXQZSA-N 2 2 246.398 2.544 20 30 BFEDLP C=CCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258725671 991664571 /nfs/dbraw/zinc/66/45/71/991664571.db2.gz MVDGPHXRJFNTTF-CJNGLKHVSA-N 2 2 244.382 2.727 20 30 BFEDLP C=CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258725671 991664574 /nfs/dbraw/zinc/66/45/74/991664574.db2.gz MVDGPHXRJFNTTF-CJNGLKHVSA-N 2 2 244.382 2.727 20 30 BFEDLP C=CCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336675274 398183744 /nfs/dbraw/zinc/18/37/44/398183744.db2.gz VDPSDSAICYJBPN-OLZOCXBDSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336675274 398183747 /nfs/dbraw/zinc/18/37/47/398183747.db2.gz VDPSDSAICYJBPN-OLZOCXBDSA-N 2 2 222.376 2.558 20 30 BFEDLP C[C@H](CCC#N)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000602452196 349552685 /nfs/dbraw/zinc/55/26/85/349552685.db2.gz HMZLLMKZPGCECF-GFCCVEGCSA-N 2 2 246.358 2.529 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000126775755 343171163 /nfs/dbraw/zinc/17/11/63/343171163.db2.gz LBVHEOBLKNAFED-CYBMUJFWSA-N 2 2 221.348 2.608 20 30 BFEDLP C=C(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000130851913 344225354 /nfs/dbraw/zinc/22/53/54/344225354.db2.gz GJQDUEPLRQTIHZ-HOCLYGCPSA-N 2 2 244.382 2.673 20 30 BFEDLP C=C(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000130851913 344225356 /nfs/dbraw/zinc/22/53/56/344225356.db2.gz GJQDUEPLRQTIHZ-HOCLYGCPSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1 ZINC000119814728 344596277 /nfs/dbraw/zinc/59/62/77/344596277.db2.gz HWXZTTCAFPDMFT-ZDUSSCGKSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000531719486 323112031 /nfs/dbraw/zinc/11/20/31/323112031.db2.gz VLCYYDYIWYKFDN-OAHLLOKOSA-N 2 2 236.403 2.661 20 30 BFEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000618887170 352156794 /nfs/dbraw/zinc/15/67/94/352156794.db2.gz LAFVEKCPXGVJEP-STQMWFEESA-N 2 2 246.358 2.529 20 30 BFEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000618887170 352156797 /nfs/dbraw/zinc/15/67/97/352156797.db2.gz LAFVEKCPXGVJEP-STQMWFEESA-N 2 2 246.358 2.529 20 30 BFEDLP Cc1cc[nH+]cc1CCC[NH2+]CCCCC#N ZINC000290496748 352228239 /nfs/dbraw/zinc/22/82/39/352228239.db2.gz WHYGXTASRDWVMJ-UHFFFAOYSA-N 2 2 231.343 2.606 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381582346 538111289 /nfs/dbraw/zinc/11/12/89/538111289.db2.gz FXORZWLBXFYYDU-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381582346 538111290 /nfs/dbraw/zinc/11/12/90/538111290.db2.gz FXORZWLBXFYYDU-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000163342010 353348617 /nfs/dbraw/zinc/34/86/17/353348617.db2.gz QIGJNEYUQPDDFJ-CYBMUJFWSA-N 2 2 245.370 2.605 20 30 BFEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccco1 ZINC000285553667 353546577 /nfs/dbraw/zinc/54/65/77/353546577.db2.gz GTUPPPOKTARZSS-ZDUSSCGKSA-N 2 2 245.326 2.773 20 30 BFEDLP C=CCC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343440823 353888368 /nfs/dbraw/zinc/88/83/68/353888368.db2.gz JSOLLKVWVIPBKS-UHFFFAOYSA-N 2 2 247.367 2.942 20 30 BFEDLP C=CCC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343440823 353888370 /nfs/dbraw/zinc/88/83/70/353888370.db2.gz JSOLLKVWVIPBKS-UHFFFAOYSA-N 2 2 247.367 2.942 20 30 BFEDLP C=C(CC)C[NH2+]CCCc1c[nH+]ccc1C ZINC000449733565 202010400 /nfs/dbraw/zinc/01/04/00/202010400.db2.gz IMTYWINRUNFTCV-UHFFFAOYSA-N 2 2 218.344 2.878 20 30 BFEDLP C=C(CC)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449731118 202012020 /nfs/dbraw/zinc/01/20/20/202012020.db2.gz HDXPVCJZSIQZOF-UHFFFAOYSA-N 2 2 229.327 2.699 20 30 BFEDLP C=CC[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000628406963 357202940 /nfs/dbraw/zinc/20/29/40/357202940.db2.gz VQMHPDUQOLLPHX-ZDUSSCGKSA-N 2 2 241.338 2.732 20 30 BFEDLP C=CC[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000628406963 357202943 /nfs/dbraw/zinc/20/29/43/357202943.db2.gz VQMHPDUQOLLPHX-ZDUSSCGKSA-N 2 2 241.338 2.732 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000578720600 366630467 /nfs/dbraw/zinc/63/04/67/366630467.db2.gz DCIQBJVVEIXNPC-UKRRQHHQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000578720600 366630474 /nfs/dbraw/zinc/63/04/74/366630474.db2.gz DCIQBJVVEIXNPC-UKRRQHHQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188275 371376720 /nfs/dbraw/zinc/37/67/20/371376720.db2.gz AMVXVLQCLRDVLR-DZGCQCFKSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188275 371376727 /nfs/dbraw/zinc/37/67/27/371376727.db2.gz AMVXVLQCLRDVLR-DZGCQCFKSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C(C)C)CC1 ZINC000167402306 206143373 /nfs/dbraw/zinc/14/33/73/206143373.db2.gz UDCLYYZDTVJKPK-AWEZNQCLSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCCC1 ZINC000449606421 384698073 /nfs/dbraw/zinc/69/80/73/384698073.db2.gz QQBHXDDKAKDGPL-ZIAGYGMSSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCCC1 ZINC000449606421 384698079 /nfs/dbraw/zinc/69/80/79/384698079.db2.gz QQBHXDDKAKDGPL-ZIAGYGMSSA-N 2 2 236.403 2.663 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347274410 386312614 /nfs/dbraw/zinc/31/26/14/386312614.db2.gz ARMDCKJWVKPAAP-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347274410 386312620 /nfs/dbraw/zinc/31/26/20/386312620.db2.gz ARMDCKJWVKPAAP-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347274416 386313054 /nfs/dbraw/zinc/31/30/54/386313054.db2.gz ARMDCKJWVKPAAP-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347274416 386313057 /nfs/dbraw/zinc/31/30/57/386313057.db2.gz ARMDCKJWVKPAAP-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000442712335 386532314 /nfs/dbraw/zinc/53/23/14/386532314.db2.gz GEZGBEKLSRVEOV-TUVASFSCSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000442712335 386532319 /nfs/dbraw/zinc/53/23/19/386532319.db2.gz GEZGBEKLSRVEOV-TUVASFSCSA-N 2 2 249.402 2.531 20 30 BFEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000192635578 387037435 /nfs/dbraw/zinc/03/74/35/387037435.db2.gz VDYZDCOGEFUMFY-GJZGRUSLSA-N 2 2 249.402 2.534 20 30 BFEDLP C=CCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000514654044 387045087 /nfs/dbraw/zinc/04/50/87/387045087.db2.gz VSBHCRQIDJHSTK-UHFFFAOYSA-N 2 2 221.348 2.561 20 30 BFEDLP C=CCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000514654044 387045091 /nfs/dbraw/zinc/04/50/91/387045091.db2.gz VSBHCRQIDJHSTK-UHFFFAOYSA-N 2 2 221.348 2.561 20 30 BFEDLP C=CCCC[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000515171318 387343553 /nfs/dbraw/zinc/34/35/53/387343553.db2.gz OQITTWDOFVTPMB-NSHDSACASA-N 2 2 221.348 2.563 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000527738798 387704953 /nfs/dbraw/zinc/70/49/53/387704953.db2.gz WOBWTKQEBAUFBO-QWHCGFSZSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000527738798 387704958 /nfs/dbraw/zinc/70/49/58/387704958.db2.gz WOBWTKQEBAUFBO-QWHCGFSZSA-N 2 2 236.403 2.804 20 30 BFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442781912 387839789 /nfs/dbraw/zinc/83/97/89/387839789.db2.gz OXTUWYGOVJIDDR-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442781912 387839795 /nfs/dbraw/zinc/83/97/95/387839795.db2.gz OXTUWYGOVJIDDR-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442791018 387841738 /nfs/dbraw/zinc/84/17/38/387841738.db2.gz KDUQARAPTHQNHT-XGUBFFRZSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442791018 387841743 /nfs/dbraw/zinc/84/17/43/387841743.db2.gz KDUQARAPTHQNHT-XGUBFFRZSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000438984038 387971636 /nfs/dbraw/zinc/97/16/36/387971636.db2.gz DHCKEWPJYWNKQF-VBNZEHGJSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000438984038 387971642 /nfs/dbraw/zinc/97/16/42/387971642.db2.gz DHCKEWPJYWNKQF-VBNZEHGJSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000449218593 388158354 /nfs/dbraw/zinc/15/83/54/388158354.db2.gz JWYZAKWGVWRCKQ-AWEZNQCLSA-N 2 2 224.392 2.807 20 30 BFEDLP CC[N@H+](CC[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449111303 388143886 /nfs/dbraw/zinc/14/38/86/388143886.db2.gz KTNOBJFGHQZPSX-UHFFFAOYSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@@H+](CC[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449111303 388143888 /nfs/dbraw/zinc/14/38/88/388143888.db2.gz KTNOBJFGHQZPSX-UHFFFAOYSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449122232 388145371 /nfs/dbraw/zinc/14/53/71/388145371.db2.gz KVTDMSJOOFLXST-HNNXBMFYSA-N 2 2 248.414 2.949 20 30 BFEDLP C=CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000449606418 388240881 /nfs/dbraw/zinc/24/08/81/388240881.db2.gz QQBHXDDKAKDGPL-KBPBESRZSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCCC1 ZINC000449606418 388240884 /nfs/dbraw/zinc/24/08/84/388240884.db2.gz QQBHXDDKAKDGPL-KBPBESRZSA-N 2 2 236.403 2.663 20 30 BFEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1C(C)C)C(C)(C)C ZINC000491730981 388315560 /nfs/dbraw/zinc/31/55/60/388315560.db2.gz IEPYWOFZJJTJCR-CYBMUJFWSA-N 2 2 233.359 2.602 20 30 BFEDLP C#C[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(C)(C)C ZINC000491746125 388317294 /nfs/dbraw/zinc/31/72/94/388317294.db2.gz ZODYJBWCWORXHM-OAHLLOKOSA-N 2 2 244.382 2.960 20 30 BFEDLP C#C[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(C)(C)C ZINC000491746122 388317340 /nfs/dbraw/zinc/31/73/40/388317340.db2.gz ZODYJBWCWORXHM-HNNXBMFYSA-N 2 2 244.382 2.960 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCC2CC2)CC1 ZINC000186325384 388598415 /nfs/dbraw/zinc/59/84/15/388598415.db2.gz MWBFGFGZNMQGEX-CYBMUJFWSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154650037 388642691 /nfs/dbraw/zinc/64/26/91/388642691.db2.gz KDEOTQNPKOGGPN-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154650037 388642692 /nfs/dbraw/zinc/64/26/92/388642692.db2.gz KDEOTQNPKOGGPN-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP CC[N@@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000353386384 134163580 /nfs/dbraw/zinc/16/35/80/134163580.db2.gz XKCCJRPGFIEBTD-UHFFFAOYSA-N 2 2 231.343 2.558 20 30 BFEDLP CC[N@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000353386384 134163581 /nfs/dbraw/zinc/16/35/81/134163581.db2.gz XKCCJRPGFIEBTD-UHFFFAOYSA-N 2 2 231.343 2.558 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103716 134217440 /nfs/dbraw/zinc/21/74/40/134217440.db2.gz YBUVSYUXKMFYDN-VXGBXAGGSA-N 2 2 233.359 2.601 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103716 134217441 /nfs/dbraw/zinc/21/74/41/134217441.db2.gz YBUVSYUXKMFYDN-VXGBXAGGSA-N 2 2 233.359 2.601 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337358435 135012660 /nfs/dbraw/zinc/01/26/60/135012660.db2.gz BOYSJYCFASLBMU-BMFZPTHFSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000651690790 411136455 /nfs/dbraw/zinc/13/64/55/411136455.db2.gz VTKGFNVMEABFCV-RRFJBIMHSA-N 2 2 247.386 2.854 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000651707272 411137291 /nfs/dbraw/zinc/13/72/91/411137291.db2.gz DXUAJDYKZNFJEO-MJBXVCDLSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000651707272 411137292 /nfs/dbraw/zinc/13/72/92/411137292.db2.gz DXUAJDYKZNFJEO-MJBXVCDLSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000651735304 411139810 /nfs/dbraw/zinc/13/98/10/411139810.db2.gz MEGMICLNHPSBBG-APIJFGDWSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000651735304 411139811 /nfs/dbraw/zinc/13/98/11/411139811.db2.gz MEGMICLNHPSBBG-APIJFGDWSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000651735878 411140023 /nfs/dbraw/zinc/14/00/23/411140023.db2.gz FVNOXYZZJHAQRM-FQLMCAECSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000651735878 411140024 /nfs/dbraw/zinc/14/00/24/411140024.db2.gz FVNOXYZZJHAQRM-FQLMCAECSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000651749674 411140824 /nfs/dbraw/zinc/14/08/24/411140824.db2.gz FPMAHXQVPQEZDF-GJZGRUSLSA-N 2 2 236.403 2.807 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000651752567 411141704 /nfs/dbraw/zinc/14/17/04/411141704.db2.gz LGNADJZURPHJGN-KFWWJZLASA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000651752567 411141705 /nfs/dbraw/zinc/14/17/05/411141705.db2.gz LGNADJZURPHJGN-KFWWJZLASA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000651752569 411141848 /nfs/dbraw/zinc/14/18/48/411141848.db2.gz LGNADJZURPHJGN-RRFJBIMHSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000651752569 411141849 /nfs/dbraw/zinc/14/18/49/411141849.db2.gz LGNADJZURPHJGN-RRFJBIMHSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000651767754 411142833 /nfs/dbraw/zinc/14/28/33/411142833.db2.gz KKZSAIJTXQDPIP-MGPQQGTHSA-N 2 2 245.370 2.532 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595054752 411149718 /nfs/dbraw/zinc/14/97/18/411149718.db2.gz VFWGZNFQIGKYSP-HZSPNIEDSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595054752 411149719 /nfs/dbraw/zinc/14/97/19/411149719.db2.gz VFWGZNFQIGKYSP-HZSPNIEDSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC000658284383 411323275 /nfs/dbraw/zinc/32/32/75/411323275.db2.gz FZMMQPQEFCALQR-GJZGRUSLSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000658284383 411323278 /nfs/dbraw/zinc/32/32/78/411323278.db2.gz FZMMQPQEFCALQR-GJZGRUSLSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849272 411536726 /nfs/dbraw/zinc/53/67/26/411536726.db2.gz RSZIGMLWPPMTCW-KKUMJFAQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849272 411536728 /nfs/dbraw/zinc/53/67/28/411536728.db2.gz RSZIGMLWPPMTCW-KKUMJFAQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCC(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657806848 411600812 /nfs/dbraw/zinc/60/08/12/411600812.db2.gz VOZOBBCSMXKMLE-UHFFFAOYSA-N 2 2 233.359 2.664 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000657825770 411607942 /nfs/dbraw/zinc/60/79/42/411607942.db2.gz PLIMPINZSIILBR-CABCVRRESA-N 2 2 236.403 2.807 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000657825773 411607964 /nfs/dbraw/zinc/60/79/64/411607964.db2.gz PLIMPINZSIILBR-LSDHHAIUSA-N 2 2 236.403 2.807 20 30 BFEDLP C=CCC1([NH2+]CCCn2cc[nH+]c2)CCCC1 ZINC000661852584 411902988 /nfs/dbraw/zinc/90/29/88/411902988.db2.gz ZRJZBOIBFULUKK-UHFFFAOYSA-N 2 2 233.359 2.752 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000651814038 487834620 /nfs/dbraw/zinc/83/46/20/487834620.db2.gz HLVAQABQYKWXMG-UPJWGTAASA-N 2 2 245.370 2.601 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000651814038 487834624 /nfs/dbraw/zinc/83/46/24/487834624.db2.gz HLVAQABQYKWXMG-UPJWGTAASA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000245979877 323007922 /nfs/dbraw/zinc/00/79/22/323007922.db2.gz XYIBUZLOYHWCSD-HUUCEWRRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000245979877 323007923 /nfs/dbraw/zinc/00/79/23/323007923.db2.gz XYIBUZLOYHWCSD-HUUCEWRRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571135980 323136498 /nfs/dbraw/zinc/13/64/98/323136498.db2.gz JDUMWGMYBMHJEE-OAHLLOKOSA-N 2 2 246.354 2.891 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571135980 323136499 /nfs/dbraw/zinc/13/64/99/323136499.db2.gz JDUMWGMYBMHJEE-OAHLLOKOSA-N 2 2 246.354 2.891 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000121018806 324000844 /nfs/dbraw/zinc/00/08/44/324000844.db2.gz RHAVMTHGICTPDK-DOMZBBRYSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000121018806 324000846 /nfs/dbraw/zinc/00/08/46/324000846.db2.gz RHAVMTHGICTPDK-DOMZBBRYSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000568239940 326332802 /nfs/dbraw/zinc/33/28/02/326332802.db2.gz VOSUBSWBPUCXQI-UONOGXRCSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000568239940 326332803 /nfs/dbraw/zinc/33/28/03/326332803.db2.gz VOSUBSWBPUCXQI-UONOGXRCSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CC)CC1 ZINC000568462478 326357658 /nfs/dbraw/zinc/35/76/58/326357658.db2.gz ZGNDMEFLYDLVOR-HIFRSBDPSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000121084417 490074643 /nfs/dbraw/zinc/07/46/43/490074643.db2.gz SRFCOKFCGZZMMV-HOTGVXAUSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000121084109 490074646 /nfs/dbraw/zinc/07/46/46/490074646.db2.gz SRFCOKFCGZZMMV-CVEARBPZSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000121084109 490074647 /nfs/dbraw/zinc/07/46/47/490074647.db2.gz SRFCOKFCGZZMMV-CVEARBPZSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000121084417 490074642 /nfs/dbraw/zinc/07/46/42/490074642.db2.gz SRFCOKFCGZZMMV-HOTGVXAUSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000161728559 487513621 /nfs/dbraw/zinc/51/36/21/487513621.db2.gz FORHKHPFBYFZID-UHFFFAOYSA-N 2 2 241.338 2.846 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000651666588 490129522 /nfs/dbraw/zinc/12/95/22/490129522.db2.gz HZYHJEURQGKENI-KBPBESRZSA-N 2 2 233.359 2.608 20 30 BFEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000184094488 536056305 /nfs/dbraw/zinc/05/63/05/536056305.db2.gz INRRWOGVNPTUKV-GFCCVEGCSA-N 2 2 237.391 2.531 20 30 BFEDLP C=CCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367861749 534718384 /nfs/dbraw/zinc/71/83/84/534718384.db2.gz CQWOGKLMGBGQJY-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367861749 534718389 /nfs/dbraw/zinc/71/83/89/534718389.db2.gz CQWOGKLMGBGQJY-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000119800956 534796388 /nfs/dbraw/zinc/79/63/88/534796388.db2.gz FEDKOAZMEHPEOS-CQSZACIVSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1 ZINC000120843940 534796653 /nfs/dbraw/zinc/79/66/53/534796653.db2.gz AMIZLQUIDIXQQY-CQSZACIVSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1 ZINC000120843940 534796661 /nfs/dbraw/zinc/79/66/61/534796661.db2.gz AMIZLQUIDIXQQY-CQSZACIVSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC(C)(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000898460796 584137916 /nfs/dbraw/zinc/13/79/16/584137916.db2.gz SPEMDIJJHAUFHH-UHFFFAOYSA-N 2 2 218.344 2.877 20 30 BFEDLP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201991 584735271 /nfs/dbraw/zinc/73/52/71/584735271.db2.gz TUSIPIZFEPSXQN-OLZOCXBDSA-N 2 2 247.386 2.838 20 30 BFEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201990 584735274 /nfs/dbraw/zinc/73/52/74/584735274.db2.gz TUSIPIZFEPSXQN-CHWSQXEVSA-N 2 2 247.386 2.838 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903299388 584743421 /nfs/dbraw/zinc/74/34/21/584743421.db2.gz ARXHNAXFSZXVPU-BFHYXJOUSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903299388 584743422 /nfs/dbraw/zinc/74/34/22/584743422.db2.gz ARXHNAXFSZXVPU-BFHYXJOUSA-N 2 2 224.392 2.804 20 30 BFEDLP CC1(C)C[N@H+](CCCCC2(C#N)CCC2)C[C@H]1[NH3+] ZINC000903786406 584800279 /nfs/dbraw/zinc/80/02/79/584800279.db2.gz IEHWJJMSBVSYES-CYBMUJFWSA-N 2 2 249.402 2.520 20 30 BFEDLP CC1(C)C[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1[NH3+] ZINC000903786406 584800280 /nfs/dbraw/zinc/80/02/80/584800280.db2.gz IEHWJJMSBVSYES-CYBMUJFWSA-N 2 2 249.402 2.520 20 30 BFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000749114905 585199553 /nfs/dbraw/zinc/19/95/53/585199553.db2.gz FCFYBBCYCYKHIC-NWDGAFQWSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000749114905 585199550 /nfs/dbraw/zinc/19/95/50/585199550.db2.gz FCFYBBCYCYKHIC-NWDGAFQWSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000749114905 585199551 /nfs/dbraw/zinc/19/95/51/585199551.db2.gz FCFYBBCYCYKHIC-NWDGAFQWSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000749114905 585199552 /nfs/dbraw/zinc/19/95/52/585199552.db2.gz FCFYBBCYCYKHIC-NWDGAFQWSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000749114903 585199568 /nfs/dbraw/zinc/19/95/68/585199568.db2.gz FCFYBBCYCYKHIC-NEPJUHHUSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000749114903 585199569 /nfs/dbraw/zinc/19/95/69/585199569.db2.gz FCFYBBCYCYKHIC-NEPJUHHUSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000749114903 585199570 /nfs/dbraw/zinc/19/95/70/585199570.db2.gz FCFYBBCYCYKHIC-NEPJUHHUSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000749114903 585199571 /nfs/dbraw/zinc/19/95/71/585199571.db2.gz FCFYBBCYCYKHIC-NEPJUHHUSA-N 2 2 230.783 2.544 20 30 BFEDLP C#CCCC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000766917769 585511600 /nfs/dbraw/zinc/51/16/00/585511600.db2.gz OJRVVTJDEZULLS-JYJNAYRXSA-N 2 2 248.414 2.737 20 30 BFEDLP C#CCCC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000766917769 585511601 /nfs/dbraw/zinc/51/16/01/585511601.db2.gz OJRVVTJDEZULLS-JYJNAYRXSA-N 2 2 248.414 2.737 20 30 BFEDLP CCCCCCC[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000843387392 588105516 /nfs/dbraw/zinc/10/55/16/588105516.db2.gz GRUQPLMOYVCSKP-ZDUSSCGKSA-N 2 2 230.371 2.590 20 30 BFEDLP CCCCCCC[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000843387392 588105518 /nfs/dbraw/zinc/10/55/18/588105518.db2.gz GRUQPLMOYVCSKP-ZDUSSCGKSA-N 2 2 230.371 2.590 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873293775 590023536 /nfs/dbraw/zinc/02/35/36/590023536.db2.gz NXNZWBXNPZAJEG-CJNGLKHVSA-N 2 2 244.382 2.645 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873293776 590023652 /nfs/dbraw/zinc/02/36/52/590023652.db2.gz NXNZWBXNPZAJEG-CZUORRHYSA-N 2 2 244.382 2.645 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000877024427 590270663 /nfs/dbraw/zinc/27/06/63/590270663.db2.gz DHPXPWPZAVOEFZ-MRXNPFEDSA-N 2 2 248.414 2.644 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000877024427 590270664 /nfs/dbraw/zinc/27/06/64/590270664.db2.gz DHPXPWPZAVOEFZ-MRXNPFEDSA-N 2 2 248.414 2.644 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000877095417 590281990 /nfs/dbraw/zinc/28/19/90/590281990.db2.gz YBRLGYBZFPVDMS-CABCVRRESA-N 2 2 248.414 2.785 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000877095417 590281992 /nfs/dbraw/zinc/28/19/92/590281992.db2.gz YBRLGYBZFPVDMS-CABCVRRESA-N 2 2 248.414 2.785 20 30 BFEDLP C#CCCCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000877528406 590348651 /nfs/dbraw/zinc/34/86/51/590348651.db2.gz ZNOSINIJPCITMY-UHFFFAOYSA-N 2 2 247.386 2.789 20 30 BFEDLP C#CCCCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000877528406 590348654 /nfs/dbraw/zinc/34/86/54/590348654.db2.gz ZNOSINIJPCITMY-UHFFFAOYSA-N 2 2 247.386 2.789 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000878239945 590528780 /nfs/dbraw/zinc/52/87/80/590528780.db2.gz MBOAXIJBHFSDLG-OAHLLOKOSA-N 2 2 236.403 2.642 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000878239945 590528783 /nfs/dbraw/zinc/52/87/83/590528783.db2.gz MBOAXIJBHFSDLG-OAHLLOKOSA-N 2 2 236.403 2.642 20 30 BFEDLP C=CC[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000878267353 590531241 /nfs/dbraw/zinc/53/12/41/590531241.db2.gz VLIVLYXFQYLAPZ-LLVKDONJSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880257289 590978822 /nfs/dbraw/zinc/97/88/22/590978822.db2.gz VXTBRSRMMKAENM-UHFFFAOYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000883433684 591664480 /nfs/dbraw/zinc/66/44/80/591664480.db2.gz WTCSYBYXWUNXRP-BYCMXARLSA-N 2 2 248.345 2.517 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000883433684 591664482 /nfs/dbraw/zinc/66/44/82/591664482.db2.gz WTCSYBYXWUNXRP-BYCMXARLSA-N 2 2 248.345 2.517 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926519883 632425764 /nfs/dbraw/zinc/42/57/64/632425764.db2.gz NIBCWBCPNDJEGW-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926519883 632425767 /nfs/dbraw/zinc/42/57/67/632425767.db2.gz NIBCWBCPNDJEGW-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926197207 646592324 /nfs/dbraw/zinc/59/23/24/646592324.db2.gz CWHBHCHAGXGKFO-CABCVRRESA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926197207 646592325 /nfs/dbraw/zinc/59/23/25/646592325.db2.gz CWHBHCHAGXGKFO-CABCVRRESA-N 2 2 236.403 2.949 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926351718 646624126 /nfs/dbraw/zinc/62/41/26/646624126.db2.gz SBCFOOCTVRPIRO-ZNMIVQPWSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926351718 646624133 /nfs/dbraw/zinc/62/41/33/646624133.db2.gz SBCFOOCTVRPIRO-ZNMIVQPWSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCCCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904269 967221489 /nfs/dbraw/zinc/22/14/89/967221489.db2.gz MUBYKJDANGGDSA-CQSZACIVSA-N 2 2 236.403 2.936 20 30 BFEDLP C=CCCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904269 967221496 /nfs/dbraw/zinc/22/14/96/967221496.db2.gz MUBYKJDANGGDSA-CQSZACIVSA-N 2 2 236.403 2.936 20 30 BFEDLP C=CCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209432447 969502683 /nfs/dbraw/zinc/50/26/83/969502683.db2.gz FGXYXPBLRYJZCK-GJZGRUSLSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209432447 969502694 /nfs/dbraw/zinc/50/26/94/969502694.db2.gz FGXYXPBLRYJZCK-GJZGRUSLSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209432447 969502702 /nfs/dbraw/zinc/50/27/02/969502702.db2.gz FGXYXPBLRYJZCK-GJZGRUSLSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209432447 969502709 /nfs/dbraw/zinc/50/27/09/969502709.db2.gz FGXYXPBLRYJZCK-GJZGRUSLSA-N 2 2 236.403 2.759 20 30 BFEDLP CCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201797946 983477496 /nfs/dbraw/zinc/47/74/96/983477496.db2.gz IDGYFXSFPTTXLB-CABCVRRESA-N 2 2 238.419 2.983 20 30 BFEDLP C=CCCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191374 972401523 /nfs/dbraw/zinc/40/15/23/972401523.db2.gz LOCRUZZSNADXCY-OAHLLOKOSA-N 2 2 236.403 2.951 20 30 BFEDLP C=CCCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191374 972401554 /nfs/dbraw/zinc/40/15/54/972401554.db2.gz LOCRUZZSNADXCY-OAHLLOKOSA-N 2 2 236.403 2.951 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[NH2+]C3)CC1 ZINC001222380287 972450240 /nfs/dbraw/zinc/45/02/40/972450240.db2.gz YRJBLMAUBGZUIH-OAHLLOKOSA-N 2 2 246.398 2.584 20 30 BFEDLP CCC[C@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168306331 964403662 /nfs/dbraw/zinc/40/36/62/964403662.db2.gz WWUZEQVDQGANSF-JXQTWKCFSA-N 2 2 237.391 2.531 20 30 BFEDLP C=CC[N@H+]1CCC[C@H]1CNc1cc(C)c(C)c[nH+]1 ZINC001160957899 964457178 /nfs/dbraw/zinc/45/71/78/964457178.db2.gz XIEYONJIRMLISE-AWEZNQCLSA-N 2 2 245.370 2.761 20 30 BFEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cc(C)c(C)c[nH+]1 ZINC001160957899 964457187 /nfs/dbraw/zinc/45/71/87/964457187.db2.gz XIEYONJIRMLISE-AWEZNQCLSA-N 2 2 245.370 2.761 20 30 BFEDLP C=CCCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337720 968246646 /nfs/dbraw/zinc/24/66/46/968246646.db2.gz VTCTTZUZHGLNHH-AWEZNQCLSA-N 2 2 242.382 2.886 20 30 BFEDLP C=CCCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337720 968246653 /nfs/dbraw/zinc/24/66/53/968246653.db2.gz VTCTTZUZHGLNHH-AWEZNQCLSA-N 2 2 242.382 2.886 20 30 BFEDLP CC[NH+]1CCC([N@H+](CCC#N)C2CCCC2)CC1 ZINC001169255985 969544318 /nfs/dbraw/zinc/54/43/18/969544318.db2.gz XDEDBUBVTRZFQV-UHFFFAOYSA-N 2 2 249.402 2.629 20 30 BFEDLP CC[NH+]1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001169255985 969544334 /nfs/dbraw/zinc/54/43/34/969544334.db2.gz XDEDBUBVTRZFQV-UHFFFAOYSA-N 2 2 249.402 2.629 20 30 BFEDLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254650906 969764088 /nfs/dbraw/zinc/76/40/88/969764088.db2.gz YXERSJXTYNHBEG-MJBXVCDLSA-N 2 2 249.402 2.531 20 30 BFEDLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254650906 969764092 /nfs/dbraw/zinc/76/40/92/969764092.db2.gz YXERSJXTYNHBEG-MJBXVCDLSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H](CCCC#N)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172502962 974856718 /nfs/dbraw/zinc/85/67/18/974856718.db2.gz XOSXXETVIZSKJA-OLZOCXBDSA-N 2 2 246.358 2.605 20 30 BFEDLP CC[C@@H](C#N)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173107632 975025268 /nfs/dbraw/zinc/02/52/68/975025268.db2.gz ZXHOXKCYMCXOKO-HSBZDZAISA-N 2 2 237.391 2.531 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC001235343660 979031282 /nfs/dbraw/zinc/03/12/82/979031282.db2.gz WVCHKEHMXBFRJF-HZPDHXFCSA-N 2 2 248.414 2.973 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC001235343660 979031287 /nfs/dbraw/zinc/03/12/87/979031287.db2.gz WVCHKEHMXBFRJF-HZPDHXFCSA-N 2 2 248.414 2.973 20 30 BFEDLP C=CCCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236520901 979616387 /nfs/dbraw/zinc/61/63/87/979616387.db2.gz DJVUYMBODSNPPJ-UHFFFAOYSA-N 2 2 232.371 2.804 20 30 BFEDLP C=CCCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236520901 979616393 /nfs/dbraw/zinc/61/63/93/979616393.db2.gz DJVUYMBODSNPPJ-UHFFFAOYSA-N 2 2 232.371 2.804 20 30 BFEDLP CCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201797946 983477458 /nfs/dbraw/zinc/47/74/58/983477458.db2.gz IDGYFXSFPTTXLB-CABCVRRESA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201797946 983477473 /nfs/dbraw/zinc/47/74/73/983477473.db2.gz IDGYFXSFPTTXLB-CABCVRRESA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201797946 983477482 /nfs/dbraw/zinc/47/74/82/983477482.db2.gz IDGYFXSFPTTXLB-CABCVRRESA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275130626 984499967 /nfs/dbraw/zinc/49/99/67/984499967.db2.gz CQIZAWKUHOHDNF-UHFFFAOYSA-N 2 2 238.419 2.984 20 30 BFEDLP CCCCCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275130626 984499975 /nfs/dbraw/zinc/49/99/75/984499975.db2.gz CQIZAWKUHOHDNF-UHFFFAOYSA-N 2 2 238.419 2.984 20 30 BFEDLP C=CCC[C@@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001258730292 991671573 /nfs/dbraw/zinc/67/15/73/991671573.db2.gz DKKOMHBPWCPNCW-CYBMUJFWSA-N 2 2 224.392 2.757 20 30 BFEDLP C=CCC[C@@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001258730292 991671566 /nfs/dbraw/zinc/67/15/66/991671566.db2.gz DKKOMHBPWCPNCW-CYBMUJFWSA-N 2 2 224.392 2.757 20 30 BFEDLP C=CCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336675278 398183858 /nfs/dbraw/zinc/18/38/58/398183858.db2.gz VDPSDSAICYJBPN-STQMWFEESA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336675278 398183860 /nfs/dbraw/zinc/18/38/60/398183860.db2.gz VDPSDSAICYJBPN-STQMWFEESA-N 2 2 222.376 2.558 20 30 BFEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602515159 349572998 /nfs/dbraw/zinc/57/29/98/349572998.db2.gz NMQYINJIQOZMTN-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602515159 349573000 /nfs/dbraw/zinc/57/30/00/349573000.db2.gz NMQYINJIQOZMTN-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP N#CC1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000602510936 349584977 /nfs/dbraw/zinc/58/49/77/349584977.db2.gz JYXSQIUBCIIKLZ-UHFFFAOYSA-N 2 2 249.402 2.534 20 30 BFEDLP C[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)CC1(C)C ZINC000600173373 342695550 /nfs/dbraw/zinc/69/55/50/342695550.db2.gz NNTJKMJSBOMALA-CYBMUJFWSA-N 2 2 249.402 2.533 20 30 BFEDLP C[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)CC1(C)C ZINC000600173373 342695552 /nfs/dbraw/zinc/69/55/52/342695552.db2.gz NNTJKMJSBOMALA-CYBMUJFWSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000602631767 349648965 /nfs/dbraw/zinc/64/89/65/349648965.db2.gz HBKZKDXVGBBSBX-ZFWWWQNUSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000602631767 349648967 /nfs/dbraw/zinc/64/89/67/349648967.db2.gz HBKZKDXVGBBSBX-ZFWWWQNUSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000602631764 349648984 /nfs/dbraw/zinc/64/89/84/349648984.db2.gz HBKZKDXVGBBSBX-HIFRSBDPSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000602631764 349648986 /nfs/dbraw/zinc/64/89/86/349648986.db2.gz HBKZKDXVGBBSBX-HIFRSBDPSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000602631762 349649223 /nfs/dbraw/zinc/64/92/23/349649223.db2.gz HBKZKDXVGBBSBX-DZGCQCFKSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000602631762 349649225 /nfs/dbraw/zinc/64/92/25/349649225.db2.gz HBKZKDXVGBBSBX-DZGCQCFKSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000351759733 136252257 /nfs/dbraw/zinc/25/22/57/136252257.db2.gz SOWIGMCCEDHVBP-AWEZNQCLSA-N 2 2 247.386 2.641 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000351759733 136252258 /nfs/dbraw/zinc/25/22/58/136252258.db2.gz SOWIGMCCEDHVBP-AWEZNQCLSA-N 2 2 247.386 2.641 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000602712559 349704570 /nfs/dbraw/zinc/70/45/70/349704570.db2.gz UYZSNSHYSYUFBI-ILXRZTDVSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000602712559 349704575 /nfs/dbraw/zinc/70/45/75/349704575.db2.gz UYZSNSHYSYUFBI-ILXRZTDVSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C)CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449472596 259349342 /nfs/dbraw/zinc/34/93/42/259349342.db2.gz GAVKKAABXURIDK-UHFFFAOYSA-N 2 2 229.327 2.699 20 30 BFEDLP C=CCCC[C@H](C)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434968 343736032 /nfs/dbraw/zinc/73/60/32/343736032.db2.gz BNQIJQIJCHTILI-NSHDSACASA-N 2 2 219.332 2.513 20 30 BFEDLP C=CCCC[C@H](C)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434968 343736035 /nfs/dbraw/zinc/73/60/35/343736035.db2.gz BNQIJQIJCHTILI-NSHDSACASA-N 2 2 219.332 2.513 20 30 BFEDLP C=CCC1([NH2+]Cc2c[nH+]c[nH]2)CCCCC1 ZINC000625935284 344572016 /nfs/dbraw/zinc/57/20/16/344572016.db2.gz UIRGEQDLWQQRJY-UHFFFAOYSA-N 2 2 219.332 2.778 20 30 BFEDLP CC(C)CC[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000183183919 347120989 /nfs/dbraw/zinc/12/09/89/347120989.db2.gz QNMQVUFWKYDPFY-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP CC(C)CC[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000183183919 347120994 /nfs/dbraw/zinc/12/09/94/347120994.db2.gz QNMQVUFWKYDPFY-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP C=C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119346796 347287906 /nfs/dbraw/zinc/28/79/06/347287906.db2.gz CWNYQQJBGLWPCY-DZKIICNBSA-N 2 2 244.382 2.671 20 30 BFEDLP C=C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119346796 347287908 /nfs/dbraw/zinc/28/79/08/347287908.db2.gz CWNYQQJBGLWPCY-DZKIICNBSA-N 2 2 244.382 2.671 20 30 BFEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000595092041 348191650 /nfs/dbraw/zinc/19/16/50/348191650.db2.gz VMJAWFIBQFPAJS-KGLIPLIRSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1C ZINC000595092041 348191654 /nfs/dbraw/zinc/19/16/54/348191654.db2.gz VMJAWFIBQFPAJS-KGLIPLIRSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249178219 349155605 /nfs/dbraw/zinc/15/56/05/349155605.db2.gz GJQDUEPLRQTIHZ-GOEBONIOSA-N 2 2 244.382 2.673 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249178219 349155607 /nfs/dbraw/zinc/15/56/07/349155607.db2.gz GJQDUEPLRQTIHZ-GOEBONIOSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427859507 191095499 /nfs/dbraw/zinc/09/54/99/191095499.db2.gz WDZDLJATXLZBDZ-OLZOCXBDSA-N 2 2 233.359 2.532 20 30 BFEDLP C=CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289453496 353629355 /nfs/dbraw/zinc/62/93/55/353629355.db2.gz VDCCOLTUJNYPFV-HOTGVXAUSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289453496 353629357 /nfs/dbraw/zinc/62/93/57/353629357.db2.gz VDCCOLTUJNYPFV-HOTGVXAUSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136096492 353609777 /nfs/dbraw/zinc/60/97/77/353609777.db2.gz XWGAGOWSFCDFHJ-JQWIXIFHSA-N 2 2 239.750 2.519 20 30 BFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136096492 353609780 /nfs/dbraw/zinc/60/97/80/353609780.db2.gz XWGAGOWSFCDFHJ-JQWIXIFHSA-N 2 2 239.750 2.519 20 30 BFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000294914699 353798332 /nfs/dbraw/zinc/79/83/32/353798332.db2.gz GLQNZMHCGHZYTB-ZDUSSCGKSA-N 2 2 248.370 2.502 20 30 BFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000294914699 353798335 /nfs/dbraw/zinc/79/83/35/353798335.db2.gz GLQNZMHCGHZYTB-ZDUSSCGKSA-N 2 2 248.370 2.502 20 30 BFEDLP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000352050720 134046775 /nfs/dbraw/zinc/04/67/75/134046775.db2.gz UHEJCIZZJCVZOV-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000352050720 134046776 /nfs/dbraw/zinc/04/67/76/134046776.db2.gz UHEJCIZZJCVZOV-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000352050720 134046777 /nfs/dbraw/zinc/04/67/77/134046777.db2.gz UHEJCIZZJCVZOV-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000352050720 134046778 /nfs/dbraw/zinc/04/67/78/134046778.db2.gz UHEJCIZZJCVZOV-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP Cc1ccc(CCC[N@@H+](C)CC(C)(C)C#N)c[nH+]1 ZINC000354018324 134166236 /nfs/dbraw/zinc/16/62/36/134166236.db2.gz PIRTVVHYEDPZMV-UHFFFAOYSA-N 2 2 245.370 2.804 20 30 BFEDLP Cc1ccc(CCC[N@H+](C)CC(C)(C)C#N)c[nH+]1 ZINC000354018324 134166237 /nfs/dbraw/zinc/16/62/37/134166237.db2.gz PIRTVVHYEDPZMV-UHFFFAOYSA-N 2 2 245.370 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000582339420 357083845 /nfs/dbraw/zinc/08/38/45/357083845.db2.gz ZAPAPHCYAJQXGG-ZFWWWQNUSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000582339420 357083846 /nfs/dbraw/zinc/08/38/46/357083846.db2.gz ZAPAPHCYAJQXGG-ZFWWWQNUSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192205657 357833305 /nfs/dbraw/zinc/83/33/05/357833305.db2.gz KDWYXLTVGNUQSO-UHFFFAOYSA-N 2 2 241.338 2.799 20 30 BFEDLP C=CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192205657 357833310 /nfs/dbraw/zinc/83/33/10/357833310.db2.gz KDWYXLTVGNUQSO-UHFFFAOYSA-N 2 2 241.338 2.799 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1 ZINC000120843759 134230528 /nfs/dbraw/zinc/23/05/28/134230528.db2.gz AMIZLQUIDIXQQY-AWEZNQCLSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1 ZINC000120843759 134230529 /nfs/dbraw/zinc/23/05/29/134230529.db2.gz AMIZLQUIDIXQQY-AWEZNQCLSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000177912839 134301545 /nfs/dbraw/zinc/30/15/45/134301545.db2.gz LDEGGEWRBVXSPK-ZDUSSCGKSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000309629562 358949694 /nfs/dbraw/zinc/94/96/94/358949694.db2.gz GQQPSXVYGXPCJG-KBPBESRZSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000309629562 358949699 /nfs/dbraw/zinc/94/96/99/358949699.db2.gz GQQPSXVYGXPCJG-KBPBESRZSA-N 2 2 224.392 2.663 20 30 BFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836577 359226564 /nfs/dbraw/zinc/22/65/64/359226564.db2.gz PLXDTWUKACEVFF-ZDUSSCGKSA-N 2 2 242.794 2.547 20 30 BFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836577 359226571 /nfs/dbraw/zinc/22/65/71/359226571.db2.gz PLXDTWUKACEVFF-ZDUSSCGKSA-N 2 2 242.794 2.547 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003409 360053026 /nfs/dbraw/zinc/05/30/26/360053026.db2.gz MYMVNDAUBYYWBL-AWEZNQCLSA-N 2 2 247.386 2.641 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003409 360053029 /nfs/dbraw/zinc/05/30/29/360053029.db2.gz MYMVNDAUBYYWBL-AWEZNQCLSA-N 2 2 247.386 2.641 20 30 BFEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579123459 366717627 /nfs/dbraw/zinc/71/76/27/366717627.db2.gz SKHDTDSCDRHDLF-KBPBESRZSA-N 2 2 247.386 2.954 20 30 BFEDLP C=CCCC[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579123459 366717629 /nfs/dbraw/zinc/71/76/29/366717629.db2.gz SKHDTDSCDRHDLF-KBPBESRZSA-N 2 2 247.386 2.954 20 30 BFEDLP C=CCCC[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579123461 366718233 /nfs/dbraw/zinc/71/82/33/366718233.db2.gz SKHDTDSCDRHDLF-KGLIPLIRSA-N 2 2 247.386 2.954 20 30 BFEDLP C=CCCC[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579123461 366718237 /nfs/dbraw/zinc/71/82/37/366718237.db2.gz SKHDTDSCDRHDLF-KGLIPLIRSA-N 2 2 247.386 2.954 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+]C[C@H](C)[NH+](C)C ZINC000309163368 384545022 /nfs/dbraw/zinc/54/50/22/384545022.db2.gz HWZSBINXDASHEF-STQMWFEESA-N 2 2 212.381 2.661 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309978287 384758552 /nfs/dbraw/zinc/75/85/52/384758552.db2.gz UYRNMUILFUAPDJ-HZSPNIEDSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309978287 384758558 /nfs/dbraw/zinc/75/85/58/384758558.db2.gz UYRNMUILFUAPDJ-HZSPNIEDSA-N 2 2 224.392 2.661 20 30 BFEDLP C=C(CC)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449733260 385089630 /nfs/dbraw/zinc/08/96/30/385089630.db2.gz GVOPHGQNMCCUTK-UHFFFAOYSA-N 2 2 247.367 2.990 20 30 BFEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000192635562 387037266 /nfs/dbraw/zinc/03/72/66/387037266.db2.gz VDYZDCOGEFUMFY-LSDHHAIUSA-N 2 2 249.402 2.534 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH2+]CC)c1ccco1 ZINC000423379038 387259875 /nfs/dbraw/zinc/25/98/75/387259875.db2.gz LMRXUBAHLMOSHU-OLZOCXBDSA-N 2 2 236.359 2.875 20 30 BFEDLP C=CCCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000274629341 387486553 /nfs/dbraw/zinc/48/65/53/387486553.db2.gz YVGHNQNCPUWEMG-UHFFFAOYSA-N 2 2 229.327 2.780 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000527738792 387705011 /nfs/dbraw/zinc/70/50/11/387705011.db2.gz WOBWTKQEBAUFBO-CHWSQXEVSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000527738792 387705018 /nfs/dbraw/zinc/70/50/18/387705018.db2.gz WOBWTKQEBAUFBO-CHWSQXEVSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000423183245 387968131 /nfs/dbraw/zinc/96/81/31/387968131.db2.gz HLWUEAOEYJCAQD-OLZOCXBDSA-N 2 2 234.343 2.629 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000423245973 388029835 /nfs/dbraw/zinc/02/98/35/388029835.db2.gz YZMDFZACJAJOIF-STQMWFEESA-N 2 2 234.343 2.629 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000423268522 388047173 /nfs/dbraw/zinc/04/71/73/388047173.db2.gz GMHADCPOANKLGF-CHWSQXEVSA-N 2 2 236.359 2.860 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000449218594 388158276 /nfs/dbraw/zinc/15/82/76/388158276.db2.gz JWYZAKWGVWRCKQ-CQSZACIVSA-N 2 2 224.392 2.807 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449336651 388175189 /nfs/dbraw/zinc/17/51/89/388175189.db2.gz ODAHJOZUVYYBLH-CHWSQXEVSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449336651 388175192 /nfs/dbraw/zinc/17/51/92/388175192.db2.gz ODAHJOZUVYYBLH-CHWSQXEVSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000449064299 388137911 /nfs/dbraw/zinc/13/79/11/388137911.db2.gz PFKPSYJAZYNTMC-AWEZNQCLSA-N 2 2 235.375 2.998 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C2CCC2)CC1 ZINC000449120204 388145102 /nfs/dbraw/zinc/14/51/02/388145102.db2.gz CFNDBJOYUZAZHZ-HNNXBMFYSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000339418573 388482149 /nfs/dbraw/zinc/48/21/49/388482149.db2.gz WJLIGIYPWKZZPP-QWHCGFSZSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000339418573 388482151 /nfs/dbraw/zinc/48/21/51/388482151.db2.gz WJLIGIYPWKZZPP-QWHCGFSZSA-N 2 2 224.392 2.519 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000177917676 388524247 /nfs/dbraw/zinc/52/42/47/388524247.db2.gz SBMCEXHLAZNABT-CYBMUJFWSA-N 2 2 248.370 2.971 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000177917663 388524539 /nfs/dbraw/zinc/52/45/39/388524539.db2.gz SBMCEXHLAZNABT-ZDUSSCGKSA-N 2 2 248.370 2.971 20 30 BFEDLP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000252499529 533511783 /nfs/dbraw/zinc/51/17/83/533511783.db2.gz BXIDFPVDKQTNJL-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000252499529 533511786 /nfs/dbraw/zinc/51/17/86/533511786.db2.gz BXIDFPVDKQTNJL-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000252499529 533511791 /nfs/dbraw/zinc/51/17/91/533511791.db2.gz BXIDFPVDKQTNJL-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000252499529 533511794 /nfs/dbraw/zinc/51/17/94/533511794.db2.gz BXIDFPVDKQTNJL-KGLIPLIRSA-N 2 2 222.376 2.510 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362913941 134214837 /nfs/dbraw/zinc/21/48/37/134214837.db2.gz QJNQTXKRMJKFGV-UHFFFAOYSA-N 2 2 248.414 2.949 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000367995924 134216885 /nfs/dbraw/zinc/21/68/85/134216885.db2.gz OHXCKEUBFBCEIR-CHWSQXEVSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000367995924 134216886 /nfs/dbraw/zinc/21/68/86/134216886.db2.gz OHXCKEUBFBCEIR-CHWSQXEVSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCCC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341149914 135234695 /nfs/dbraw/zinc/23/46/95/135234695.db2.gz WDQARJAESMTYSX-CQSZACIVSA-N 2 2 235.375 2.950 20 30 BFEDLP C=CCCC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341149914 135234696 /nfs/dbraw/zinc/23/46/96/135234696.db2.gz WDQARJAESMTYSX-CQSZACIVSA-N 2 2 235.375 2.950 20 30 BFEDLP Cc1cc[nH+]cc1CCC[NH2+]CC1(CC#N)CC1 ZINC000348409843 136077459 /nfs/dbraw/zinc/07/74/59/136077459.db2.gz UPYYCPUZAMNIEP-UHFFFAOYSA-N 2 2 243.354 2.606 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000177910323 166352962 /nfs/dbraw/zinc/35/29/62/166352962.db2.gz SRNPOKSFFBZQGC-GFCCVEGCSA-N 2 2 234.343 2.581 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651706112 411137164 /nfs/dbraw/zinc/13/71/64/411137164.db2.gz SVCDMIZRRYBPJP-MCIONIFRSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651706112 411137165 /nfs/dbraw/zinc/13/71/65/411137165.db2.gz SVCDMIZRRYBPJP-MCIONIFRSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000651735307 411139938 /nfs/dbraw/zinc/13/99/38/411139938.db2.gz MEGMICLNHPSBBG-XGUBFFRZSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000651735307 411139939 /nfs/dbraw/zinc/13/99/39/411139939.db2.gz MEGMICLNHPSBBG-XGUBFFRZSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000651735879 411140232 /nfs/dbraw/zinc/14/02/32/411140232.db2.gz FVNOXYZZJHAQRM-HGTKMLMNSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000651735879 411140233 /nfs/dbraw/zinc/14/02/33/411140233.db2.gz FVNOXYZZJHAQRM-HGTKMLMNSA-N 2 2 248.414 2.804 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595054753 411149581 /nfs/dbraw/zinc/14/95/81/411149581.db2.gz VFWGZNFQIGKYSP-MELADBBJSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595054753 411149582 /nfs/dbraw/zinc/14/95/82/411149582.db2.gz VFWGZNFQIGKYSP-MELADBBJSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000657927664 411169610 /nfs/dbraw/zinc/16/96/10/411169610.db2.gz VMWMTWOHXGARQK-XGUBFFRZSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000657927664 411169614 /nfs/dbraw/zinc/16/96/14/411169614.db2.gz VMWMTWOHXGARQK-XGUBFFRZSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658097602 411244900 /nfs/dbraw/zinc/24/49/00/411244900.db2.gz YACFORXJJCVZSO-CHWSQXEVSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658097602 411244902 /nfs/dbraw/zinc/24/49/02/411244902.db2.gz YACFORXJJCVZSO-CHWSQXEVSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658287456 411323877 /nfs/dbraw/zinc/32/38/77/411323877.db2.gz INILPEUOVJZYRK-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658287456 411323880 /nfs/dbraw/zinc/32/38/80/411323880.db2.gz INILPEUOVJZYRK-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000661115056 411712361 /nfs/dbraw/zinc/71/23/61/411712361.db2.gz OSAIRNRTQJBFJR-WCQYABFASA-N 2 2 219.332 2.634 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000651814036 487834178 /nfs/dbraw/zinc/83/41/78/487834178.db2.gz HLVAQABQYKWXMG-FRRDWIJNSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000651814036 487834181 /nfs/dbraw/zinc/83/41/81/487834181.db2.gz HLVAQABQYKWXMG-FRRDWIJNSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CC[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668492458 487848076 /nfs/dbraw/zinc/84/80/76/487848076.db2.gz BLEDJXKBQUFLOC-ZDUSSCGKSA-N 2 2 245.370 2.617 20 30 BFEDLP C=CC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668492458 487848079 /nfs/dbraw/zinc/84/80/79/487848079.db2.gz BLEDJXKBQUFLOC-ZDUSSCGKSA-N 2 2 245.370 2.617 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000126748377 324714122 /nfs/dbraw/zinc/71/41/22/324714122.db2.gz NFWYREOMCWYWCZ-KBPBESRZSA-N 2 2 226.408 2.907 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389864319 488120792 /nfs/dbraw/zinc/12/07/92/488120792.db2.gz JWZVFJIOVZLLKJ-GOEBONIOSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389864319 488120795 /nfs/dbraw/zinc/12/07/95/488120795.db2.gz JWZVFJIOVZLLKJ-GOEBONIOSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358260590 534353732 /nfs/dbraw/zinc/35/37/32/534353732.db2.gz VDZALYGUBIXRON-LSDHHAIUSA-N 2 2 236.403 2.829 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358260590 534353738 /nfs/dbraw/zinc/35/37/38/534353738.db2.gz VDZALYGUBIXRON-LSDHHAIUSA-N 2 2 236.403 2.829 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336731328 534359204 /nfs/dbraw/zinc/35/92/04/534359204.db2.gz FFBBICWODMOACL-FQUUOJAGSA-N 2 2 224.392 2.659 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336731328 534359209 /nfs/dbraw/zinc/35/92/09/534359209.db2.gz FFBBICWODMOACL-FQUUOJAGSA-N 2 2 224.392 2.659 20 30 BFEDLP C=CCCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367861747 534720690 /nfs/dbraw/zinc/72/06/90/534720690.db2.gz CQWOGKLMGBGQJY-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367861747 534720697 /nfs/dbraw/zinc/72/06/97/534720697.db2.gz CQWOGKLMGBGQJY-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354932834 534768952 /nfs/dbraw/zinc/76/89/52/534768952.db2.gz FFPPBBRYFAAHIR-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=CCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354932834 534768957 /nfs/dbraw/zinc/76/89/57/534768957.db2.gz FFPPBBRYFAAHIR-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=CCC[C@@H]([NH2+]CCC[NH+](C)C)c1ccco1 ZINC000353433337 534795947 /nfs/dbraw/zinc/79/59/47/534795947.db2.gz FZMICOTULSYMQT-CYBMUJFWSA-N 2 2 236.359 2.828 20 30 BFEDLP C=CC[NH+](CC=C)CCCc1ccc(C)[nH+]c1 ZINC000353360541 534828688 /nfs/dbraw/zinc/82/86/88/534828688.db2.gz ZZEQYHXHAYLKTJ-UHFFFAOYSA-N 2 2 230.355 2.997 20 30 BFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185828084 535491049 /nfs/dbraw/zinc/49/10/49/535491049.db2.gz ZIRKMFRXZVIPSS-RRFJBIMHSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185828084 535491054 /nfs/dbraw/zinc/49/10/54/535491054.db2.gz ZIRKMFRXZVIPSS-RRFJBIMHSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435822 584596742 /nfs/dbraw/zinc/59/67/42/584596742.db2.gz VLQHVGWBZFOIOL-NILFDRSVSA-N 2 2 230.355 2.555 20 30 BFEDLP C=CCC[C@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199439 584734673 /nfs/dbraw/zinc/73/46/73/584734673.db2.gz XLYMFAVXGRNUBT-LBPRGKRZSA-N 2 2 233.359 2.592 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201992 584735653 /nfs/dbraw/zinc/73/56/53/584735653.db2.gz TUSIPIZFEPSXQN-QWHCGFSZSA-N 2 2 247.386 2.838 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300674 584743789 /nfs/dbraw/zinc/74/37/89/584743789.db2.gz KRPGZZXDIAOKHE-YJNKXOJESA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300674 584743790 /nfs/dbraw/zinc/74/37/90/584743790.db2.gz KRPGZZXDIAOKHE-YJNKXOJESA-N 2 2 236.403 2.804 20 30 BFEDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903420538 584764089 /nfs/dbraw/zinc/76/40/89/584764089.db2.gz BTJBTHVYZHREED-URGYJCLVSA-N 2 2 249.402 2.518 20 30 BFEDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903420538 584764091 /nfs/dbraw/zinc/76/40/91/584764091.db2.gz BTJBTHVYZHREED-URGYJCLVSA-N 2 2 249.402 2.518 20 30 BFEDLP N#CC1CCC(C[N@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000903476924 584777433 /nfs/dbraw/zinc/77/74/33/584777433.db2.gz NRQLXHTUBYAIIK-NRXISQOPSA-N 2 2 249.402 2.520 20 30 BFEDLP N#CC1CCC(C[N@@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000903476924 584777434 /nfs/dbraw/zinc/77/74/34/584777434.db2.gz NRQLXHTUBYAIIK-NRXISQOPSA-N 2 2 249.402 2.520 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000749114906 585199662 /nfs/dbraw/zinc/19/96/62/585199662.db2.gz FCFYBBCYCYKHIC-RYUDHWBXSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000749114906 585199663 /nfs/dbraw/zinc/19/96/63/585199663.db2.gz FCFYBBCYCYKHIC-RYUDHWBXSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000749114906 585199664 /nfs/dbraw/zinc/19/96/64/585199664.db2.gz FCFYBBCYCYKHIC-RYUDHWBXSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000749114906 585199665 /nfs/dbraw/zinc/19/96/65/585199665.db2.gz FCFYBBCYCYKHIC-RYUDHWBXSA-N 2 2 230.783 2.544 20 30 BFEDLP CCCCCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852060118 588658687 /nfs/dbraw/zinc/65/86/87/588658687.db2.gz AEWTXWTXQXRNHB-UHFFFAOYSA-N 2 2 221.348 2.669 20 30 BFEDLP CCCCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000852060118 588658688 /nfs/dbraw/zinc/65/86/88/588658688.db2.gz AEWTXWTXQXRNHB-UHFFFAOYSA-N 2 2 221.348 2.669 20 30 BFEDLP C#CC[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862444752 589214520 /nfs/dbraw/zinc/21/45/20/589214520.db2.gz GMCAOKGMCHIYDC-HNNXBMFYSA-N 2 2 242.366 2.668 20 30 BFEDLP C#CC[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862444752 589214522 /nfs/dbraw/zinc/21/45/22/589214522.db2.gz GMCAOKGMCHIYDC-HNNXBMFYSA-N 2 2 242.366 2.668 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000877095236 590281705 /nfs/dbraw/zinc/28/17/05/590281705.db2.gz PZTITVOQTQMLNQ-GDBMZVCRSA-N 2 2 248.414 2.642 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000877095236 590281706 /nfs/dbraw/zinc/28/17/06/590281706.db2.gz PZTITVOQTQMLNQ-GDBMZVCRSA-N 2 2 248.414 2.642 20 30 BFEDLP C=CC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000878155314 590509078 /nfs/dbraw/zinc/50/90/78/590509078.db2.gz MZUCEQOLCAOQLY-ZNMIVQPWSA-N 2 2 236.403 2.898 20 30 BFEDLP C=CC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000878155314 590509080 /nfs/dbraw/zinc/50/90/80/590509080.db2.gz MZUCEQOLCAOQLY-ZNMIVQPWSA-N 2 2 236.403 2.898 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000878155314 590509082 /nfs/dbraw/zinc/50/90/82/590509082.db2.gz MZUCEQOLCAOQLY-ZNMIVQPWSA-N 2 2 236.403 2.898 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000878155314 590509084 /nfs/dbraw/zinc/50/90/84/590509084.db2.gz MZUCEQOLCAOQLY-ZNMIVQPWSA-N 2 2 236.403 2.898 20 30 BFEDLP C=CC[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172808 590515270 /nfs/dbraw/zinc/51/52/70/590515270.db2.gz MMYXMPWLGSFAHK-NSHDSACASA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000878267354 590531798 /nfs/dbraw/zinc/53/17/98/590531798.db2.gz VLIVLYXFQYLAPZ-NSHDSACASA-N 2 2 219.332 2.554 20 30 BFEDLP CC#CC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880255235 590979052 /nfs/dbraw/zinc/97/90/52/590979052.db2.gz FHALRLMYQHJTRH-UHFFFAOYSA-N 2 2 248.414 2.740 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883187492 591566746 /nfs/dbraw/zinc/56/67/46/591566746.db2.gz PAOZVXIPEJNFSF-HNNXBMFYSA-N 2 2 248.414 2.949 20 30 BFEDLP C=CCC[C@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000883221634 591576436 /nfs/dbraw/zinc/57/64/36/591576436.db2.gz FGCONQLOKZBTHW-MRXNPFEDSA-N 2 2 246.398 2.715 20 30 BFEDLP C=CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000883433261 591663989 /nfs/dbraw/zinc/66/39/89/591663989.db2.gz MFGHZQJUOOCFJF-CORIIIEPSA-N 2 2 248.345 2.517 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000883433261 591663992 /nfs/dbraw/zinc/66/39/92/591663992.db2.gz MFGHZQJUOOCFJF-CORIIIEPSA-N 2 2 248.345 2.517 20 30 BFEDLP C=C(CC)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926549140 645271175 /nfs/dbraw/zinc/27/11/75/645271175.db2.gz FGTRMKCCRJDPRK-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(CC)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926549140 645271180 /nfs/dbraw/zinc/27/11/80/645271180.db2.gz FGTRMKCCRJDPRK-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(CC)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925692267 646417751 /nfs/dbraw/zinc/41/77/51/646417751.db2.gz NZVIFIBTICHQAN-OCCSQVGLSA-N 2 2 218.344 2.631 20 30 BFEDLP CCCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192351 972402794 /nfs/dbraw/zinc/40/27/94/972402794.db2.gz VTNKJJYJUXGWLO-AWEZNQCLSA-N 2 2 224.392 2.785 20 30 BFEDLP CCCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192351 972402801 /nfs/dbraw/zinc/40/28/01/972402801.db2.gz VTNKJJYJUXGWLO-AWEZNQCLSA-N 2 2 224.392 2.785 20 30 BFEDLP C=CC[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256208241 970710247 /nfs/dbraw/zinc/71/02/47/970710247.db2.gz AMLVJVGLUPVTIE-UHFFFAOYSA-N 2 2 244.382 2.769 20 30 BFEDLP C=CC[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256208241 970710259 /nfs/dbraw/zinc/71/02/59/970710259.db2.gz AMLVJVGLUPVTIE-UHFFFAOYSA-N 2 2 244.382 2.769 20 30 BFEDLP C=CC[NH+](CC=C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123639 974389235 /nfs/dbraw/zinc/38/92/35/974389235.db2.gz HHKUWURZCGWKSY-QDMKHBRRSA-N 2 2 234.387 2.676 20 30 BFEDLP C=CC[NH+](CC=C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123639 974389248 /nfs/dbraw/zinc/38/92/48/974389248.db2.gz HHKUWURZCGWKSY-QDMKHBRRSA-N 2 2 234.387 2.676 20 30 BFEDLP C=CC[NH+](CC=C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123635 974392260 /nfs/dbraw/zinc/39/22/60/974392260.db2.gz HHKUWURZCGWKSY-FICVDOATSA-N 2 2 234.387 2.676 20 30 BFEDLP C=CC[NH+](CC=C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123635 974392265 /nfs/dbraw/zinc/39/22/65/974392265.db2.gz HHKUWURZCGWKSY-FICVDOATSA-N 2 2 234.387 2.676 20 30 BFEDLP C#CC[N@@H+](CC(=C)C)C1CC[NH+](CC(=C)C)CC1 ZINC001336833690 977997504 /nfs/dbraw/zinc/99/75/04/977997504.db2.gz WXAZRFNHMZESMZ-UHFFFAOYSA-N 2 2 246.398 2.538 20 30 BFEDLP C#CC[N@H+](CC(=C)C)C1CC[NH+](CC(=C)C)CC1 ZINC001336833690 977997513 /nfs/dbraw/zinc/99/75/13/977997513.db2.gz WXAZRFNHMZESMZ-UHFFFAOYSA-N 2 2 246.398 2.538 20 30 BFEDLP CCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037975 978958524 /nfs/dbraw/zinc/95/85/24/978958524.db2.gz KKKISEPGULTZLJ-UONOGXRCSA-N 2 2 224.392 2.783 20 30 BFEDLP CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037975 978958530 /nfs/dbraw/zinc/95/85/30/978958530.db2.gz KKKISEPGULTZLJ-UONOGXRCSA-N 2 2 224.392 2.783 20 30 BFEDLP C=CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235071966 978967934 /nfs/dbraw/zinc/96/79/34/978967934.db2.gz FSXNMGBLCFINIK-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235071966 978967936 /nfs/dbraw/zinc/96/79/36/978967936.db2.gz FSXNMGBLCFINIK-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CC[NH+](CC=C)Cc1cccc2c[nH+]cn21 ZINC001238118266 980167045 /nfs/dbraw/zinc/16/70/45/980167045.db2.gz IRAXATHPJDRQOV-UHFFFAOYSA-N 2 2 227.311 2.508 20 30 BFEDLP C=C1C[C@@H]2CC([N@H+]3CCC[NH2+]C[C@@H]3C)C[C@H](C1)C2 ZINC001246576048 988081518 /nfs/dbraw/zinc/08/15/18/988081518.db2.gz YVUFVDWVPZHYOF-LSVZVQIISA-N 2 2 248.414 2.805 20 30 BFEDLP C=C1C[C@@H]2CC([N@@H+]3CCC[NH2+]C[C@@H]3C)C[C@H](C1)C2 ZINC001246576048 988081532 /nfs/dbraw/zinc/08/15/32/988081532.db2.gz YVUFVDWVPZHYOF-LSVZVQIISA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[C@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258732093 991675079 /nfs/dbraw/zinc/67/50/79/991675079.db2.gz IXTOQMVQGHCXJC-QWHCGFSZSA-N 2 2 233.359 2.877 20 30 BFEDLP C=C1C[C@@H]2CC([NH2+]CCn3cc[nH+]c3)C[C@H](C1)C2 ZINC000700408695 993834541 /nfs/dbraw/zinc/83/45/41/993834541.db2.gz OYUFXLMAFLLOMP-YIONKMFJSA-N 2 2 245.370 2.608 20 30 BFEDLP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001307598988 995416486 /nfs/dbraw/zinc/41/64/86/995416486.db2.gz ZGMCFSYBSLNINO-QLFBSQMISA-N 2 2 245.370 2.568 20 30 BFEDLP CCC#C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001307598988 995416493 /nfs/dbraw/zinc/41/64/93/995416493.db2.gz ZGMCFSYBSLNINO-QLFBSQMISA-N 2 2 245.370 2.568 20 30 BFEDLP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000533361872 398187659 /nfs/dbraw/zinc/18/76/59/398187659.db2.gz FWWLACHHNRGMDB-HNNXBMFYSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000533361873 398187715 /nfs/dbraw/zinc/18/77/15/398187715.db2.gz FWWLACHHNRGMDB-OAHLLOKOSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CCC[C@@H]([NH2+]Cc1c[nH+]cn1C)c1ccco1 ZINC000289578536 538945574 /nfs/dbraw/zinc/94/55/74/538945574.db2.gz BITKLGPSYFEOLE-CYBMUJFWSA-N 2 2 245.326 2.810 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602710848 349703458 /nfs/dbraw/zinc/70/34/58/349703458.db2.gz YSQXDSBGUGPULJ-RUXDESIVSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602710848 349703459 /nfs/dbraw/zinc/70/34/59/349703459.db2.gz YSQXDSBGUGPULJ-RUXDESIVSA-N 2 2 249.402 2.531 20 30 BFEDLP C=C(C)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000264465819 187234864 /nfs/dbraw/zinc/23/48/64/187234864.db2.gz HOHCPHPFMOCDFK-UHFFFAOYSA-N 2 2 231.343 2.534 20 30 BFEDLP C=CCCCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580565662 365785065 /nfs/dbraw/zinc/78/50/65/365785065.db2.gz LBNGHPAYVLTTNK-AWEZNQCLSA-N 2 2 247.386 2.956 20 30 BFEDLP C=CCCCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580565662 365785070 /nfs/dbraw/zinc/78/50/70/365785070.db2.gz LBNGHPAYVLTTNK-AWEZNQCLSA-N 2 2 247.386 2.956 20 30 BFEDLP C=CCCC[C@@H](C)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434967 343735930 /nfs/dbraw/zinc/73/59/30/343735930.db2.gz BNQIJQIJCHTILI-LLVKDONJSA-N 2 2 219.332 2.513 20 30 BFEDLP C=CCCC[C@@H](C)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434967 343735931 /nfs/dbraw/zinc/73/59/31/343735931.db2.gz BNQIJQIJCHTILI-LLVKDONJSA-N 2 2 219.332 2.513 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439362 347263531 /nfs/dbraw/zinc/26/35/31/347263531.db2.gz TYWBRNJOZMQNGZ-STQMWFEESA-N 2 2 247.386 2.910 20 30 BFEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000595092042 348191751 /nfs/dbraw/zinc/19/17/51/348191751.db2.gz VMJAWFIBQFPAJS-UONOGXRCSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1C ZINC000595092042 348191756 /nfs/dbraw/zinc/19/17/56/348191756.db2.gz VMJAWFIBQFPAJS-UONOGXRCSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336726267 351466599 /nfs/dbraw/zinc/46/65/99/351466599.db2.gz GEHYNAPYGMHAMF-IHRRRGAJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336726267 351466602 /nfs/dbraw/zinc/46/66/02/351466602.db2.gz GEHYNAPYGMHAMF-IHRRRGAJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375929707 134241113 /nfs/dbraw/zinc/24/11/13/134241113.db2.gz CZIVYZZSVUOQDU-ZDUSSCGKSA-N 2 2 233.359 2.566 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375929707 134241114 /nfs/dbraw/zinc/24/11/14/134241114.db2.gz CZIVYZZSVUOQDU-ZDUSSCGKSA-N 2 2 233.359 2.566 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000126759925 358554351 /nfs/dbraw/zinc/55/43/51/358554351.db2.gz QPGCXJXZKILHBS-CQSZACIVSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000126741980 358554616 /nfs/dbraw/zinc/55/46/16/358554616.db2.gz FZMTZVLVOKRRPO-CQSZACIVSA-N 2 2 224.392 2.807 20 30 BFEDLP Cc1ccc(CCC[NH2+]CC(C)(C)CC#N)c[nH+]1 ZINC000459659976 203330633 /nfs/dbraw/zinc/33/06/33/203330633.db2.gz ALUWRLSRCOUMFX-UHFFFAOYSA-N 2 2 245.370 2.852 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188277 371377294 /nfs/dbraw/zinc/37/72/94/371377294.db2.gz AMVXVLQCLRDVLR-UKRRQHHQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188277 371377296 /nfs/dbraw/zinc/37/72/96/371377296.db2.gz AMVXVLQCLRDVLR-UKRRQHHQSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272048 371453046 /nfs/dbraw/zinc/45/30/46/371453046.db2.gz UNSHOCUVMQSOJI-KKUMJFAQSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272048 371453050 /nfs/dbraw/zinc/45/30/50/371453050.db2.gz UNSHOCUVMQSOJI-KKUMJFAQSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H](C)[NH+](C)C ZINC000309163367 384503494 /nfs/dbraw/zinc/50/34/94/384503494.db2.gz HWZSBINXDASHEF-QWHCGFSZSA-N 2 2 212.381 2.661 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000249184433 384493778 /nfs/dbraw/zinc/49/37/78/384493778.db2.gz KAOOFYJLJYULOS-GOEBONIOSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000249184433 384493785 /nfs/dbraw/zinc/49/37/85/384493785.db2.gz KAOOFYJLJYULOS-GOEBONIOSA-N 2 2 244.382 2.988 20 30 BFEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000519715004 386533599 /nfs/dbraw/zinc/53/35/99/386533599.db2.gz XHTLNXSOANDCIB-KGLIPLIRSA-N 2 2 237.391 2.531 20 30 BFEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC000519715004 386533602 /nfs/dbraw/zinc/53/36/02/386533602.db2.gz XHTLNXSOANDCIB-KGLIPLIRSA-N 2 2 237.391 2.531 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000336745817 387006604 /nfs/dbraw/zinc/00/66/04/387006604.db2.gz RAGUFOQABKZSTG-AWEZNQCLSA-N 2 2 222.376 2.583 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000336745817 387006606 /nfs/dbraw/zinc/00/66/06/387006606.db2.gz RAGUFOQABKZSTG-AWEZNQCLSA-N 2 2 222.376 2.583 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527656666 387661961 /nfs/dbraw/zinc/66/19/61/387661961.db2.gz JYVOZXSFINRHAZ-KCXAZCMYSA-N 2 2 248.414 2.661 20 30 BFEDLP CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000442643592 387812707 /nfs/dbraw/zinc/81/27/07/387812707.db2.gz GMFRSYUQNGXPDH-ZIAGYGMSSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000527923245 387791991 /nfs/dbraw/zinc/79/19/91/387791991.db2.gz CZKYVTDGMDPOSS-GXTWGEPZSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000527923245 387791996 /nfs/dbraw/zinc/79/19/96/387791996.db2.gz CZKYVTDGMDPOSS-GXTWGEPZSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423245966 388027579 /nfs/dbraw/zinc/02/75/79/388027579.db2.gz YZMDFZACJAJOIF-CHWSQXEVSA-N 2 2 234.343 2.629 20 30 BFEDLP C[C@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@@H+]1C ZINC000449233748 388159999 /nfs/dbraw/zinc/15/99/99/388159999.db2.gz MVIZUFGWKRBFHC-FGZQJIAISA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@H+]1C ZINC000449233748 388160000 /nfs/dbraw/zinc/16/00/00/388160000.db2.gz MVIZUFGWKRBFHC-FGZQJIAISA-N 2 2 249.402 2.531 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2CC(C(C)C)C2)CC1 ZINC000488446111 388179234 /nfs/dbraw/zinc/17/92/34/388179234.db2.gz ZIWGPIBLRJFWFL-UHFFFAOYSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449072313 388139072 /nfs/dbraw/zinc/13/90/72/388139072.db2.gz FALBKFBAUFYRET-KBPBESRZSA-N 2 2 235.375 2.996 20 30 BFEDLP C=CC(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449484084 388216330 /nfs/dbraw/zinc/21/63/30/388216330.db2.gz DYVRYWVPKIDJGO-UHFFFAOYSA-N 2 2 229.327 2.636 20 30 BFEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1C(C)C)C(C)(C)C ZINC000491730985 388315603 /nfs/dbraw/zinc/31/56/03/388315603.db2.gz IEPYWOFZJJTJCR-ZDUSSCGKSA-N 2 2 233.359 2.602 20 30 BFEDLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423373528 388691822 /nfs/dbraw/zinc/69/18/22/388691822.db2.gz HDIVNIVXCHZZLF-IUODEOHRSA-N 2 2 245.370 2.597 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000352118953 134074636 /nfs/dbraw/zinc/07/46/36/134074636.db2.gz WRDNNMNNMYWJQC-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000352118953 134074637 /nfs/dbraw/zinc/07/46/37/134074637.db2.gz WRDNNMNNMYWJQC-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103713 134217394 /nfs/dbraw/zinc/21/73/94/134217394.db2.gz YBUVSYUXKMFYDN-NEPJUHHUSA-N 2 2 233.359 2.601 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103713 134217395 /nfs/dbraw/zinc/21/73/95/134217395.db2.gz YBUVSYUXKMFYDN-NEPJUHHUSA-N 2 2 233.359 2.601 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103714 134217469 /nfs/dbraw/zinc/21/74/69/134217469.db2.gz YBUVSYUXKMFYDN-NWDGAFQWSA-N 2 2 233.359 2.601 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103714 134217470 /nfs/dbraw/zinc/21/74/70/134217470.db2.gz YBUVSYUXKMFYDN-NWDGAFQWSA-N 2 2 233.359 2.601 20 30 BFEDLP C=C(C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000181331544 134335902 /nfs/dbraw/zinc/33/59/02/134335902.db2.gz AOCSGMLPHJKFPD-UHFFFAOYSA-N 2 2 241.338 2.880 20 30 BFEDLP C=C(C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000181331544 134335903 /nfs/dbraw/zinc/33/59/03/134335903.db2.gz AOCSGMLPHJKFPD-UHFFFAOYSA-N 2 2 241.338 2.880 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337986397 135027646 /nfs/dbraw/zinc/02/76/46/135027646.db2.gz CENHNLRMIJUGRL-JKSUJKDBSA-N 2 2 248.414 2.805 20 30 BFEDLP CC[N@@H+](CCC#N)CCCc1c[nH+]ccc1C ZINC000347655848 136002147 /nfs/dbraw/zinc/00/21/47/136002147.db2.gz RNROIHMBUGGVRX-UHFFFAOYSA-N 2 2 231.343 2.558 20 30 BFEDLP CC[N@H+](CCC#N)CCCc1c[nH+]ccc1C ZINC000347655848 136002148 /nfs/dbraw/zinc/00/21/48/136002148.db2.gz RNROIHMBUGGVRX-UHFFFAOYSA-N 2 2 231.343 2.558 20 30 BFEDLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C#N)CC1 ZINC000347841976 136011931 /nfs/dbraw/zinc/01/19/31/136011931.db2.gz FKCYTKNSRBHQDJ-UHFFFAOYSA-N 2 2 243.354 2.558 20 30 BFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CC=C)CC1)C1CC1 ZINC000178690055 166296281 /nfs/dbraw/zinc/29/62/81/166296281.db2.gz HBIQHAGFKHBWNM-MRXNPFEDSA-N 2 2 248.414 2.971 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000651708508 411137984 /nfs/dbraw/zinc/13/79/84/411137984.db2.gz SJYLEODJKNNLMB-KBMXLJTQSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000651708508 411137985 /nfs/dbraw/zinc/13/79/85/411137985.db2.gz SJYLEODJKNNLMB-KBMXLJTQSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000651779959 411143277 /nfs/dbraw/zinc/14/32/77/411143277.db2.gz WQBDWDURWGHCMU-UONOGXRCSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000658036519 411212019 /nfs/dbraw/zinc/21/20/19/411212019.db2.gz XAJCVLWWJQWPFQ-UKRRQHHQSA-N 2 2 247.386 2.687 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062426 411227666 /nfs/dbraw/zinc/22/76/66/411227666.db2.gz RMRCCJLFAQLWBZ-QWHCGFSZSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062426 411227670 /nfs/dbraw/zinc/22/76/70/411227670.db2.gz RMRCCJLFAQLWBZ-QWHCGFSZSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC000658284381 411322416 /nfs/dbraw/zinc/32/24/16/411322416.db2.gz FZMMQPQEFCALQR-CABCVRRESA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000658284381 411322419 /nfs/dbraw/zinc/32/24/19/411322419.db2.gz FZMMQPQEFCALQR-CABCVRRESA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC000658284385 411322917 /nfs/dbraw/zinc/32/29/17/411322917.db2.gz FZMMQPQEFCALQR-LSDHHAIUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000658284385 411322921 /nfs/dbraw/zinc/32/29/21/411322921.db2.gz FZMMQPQEFCALQR-LSDHHAIUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000656787553 411365746 /nfs/dbraw/zinc/36/57/46/411365746.db2.gz MURMKIKEFWOQPZ-KGLIPLIRSA-N 2 2 224.392 2.648 20 30 BFEDLP C=CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000656787553 411365747 /nfs/dbraw/zinc/36/57/47/411365747.db2.gz MURMKIKEFWOQPZ-KGLIPLIRSA-N 2 2 224.392 2.648 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657529855 411544362 /nfs/dbraw/zinc/54/43/62/411544362.db2.gz JNNXNUYLVJIHLC-DZGCQCFKSA-N 2 2 247.386 2.953 20 30 BFEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C[N@@H+]1C1CC1 ZINC000151055873 323007145 /nfs/dbraw/zinc/00/71/45/323007145.db2.gz KRZWQKJSGMZQSC-OLZOCXBDSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C[N@H+]1C1CC1 ZINC000151055873 323007146 /nfs/dbraw/zinc/00/71/46/323007146.db2.gz KRZWQKJSGMZQSC-OLZOCXBDSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C[N@@H+]1C1CC1 ZINC000151055963 323007195 /nfs/dbraw/zinc/00/71/95/323007195.db2.gz KRZWQKJSGMZQSC-CHWSQXEVSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C[N@H+]1C1CC1 ZINC000151055963 323007196 /nfs/dbraw/zinc/00/71/96/323007196.db2.gz KRZWQKJSGMZQSC-CHWSQXEVSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000121605288 324018187 /nfs/dbraw/zinc/01/81/87/324018187.db2.gz UYPWFPJPQLVBHE-NOLJZWGESA-N 2 2 248.414 2.946 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000121605288 324018191 /nfs/dbraw/zinc/01/81/91/324018191.db2.gz UYPWFPJPQLVBHE-NOLJZWGESA-N 2 2 248.414 2.946 20 30 BFEDLP C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566245297 326022454 /nfs/dbraw/zinc/02/24/54/326022454.db2.gz HQMKIABDAOFWFY-HNNXBMFYSA-N 2 2 230.355 2.511 20 30 BFEDLP C=CCCC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566245297 326022456 /nfs/dbraw/zinc/02/24/56/326022456.db2.gz HQMKIABDAOFWFY-HNNXBMFYSA-N 2 2 230.355 2.511 20 30 BFEDLP C=CCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000568590661 326366595 /nfs/dbraw/zinc/36/65/95/326366595.db2.gz NIOMTAXSQRGLAE-UHFFFAOYSA-N 2 2 247.367 2.990 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389864317 488120781 /nfs/dbraw/zinc/12/07/81/488120781.db2.gz JWZVFJIOVZLLKJ-GDBMZVCRSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389864317 488120784 /nfs/dbraw/zinc/12/07/84/488120784.db2.gz JWZVFJIOVZLLKJ-GDBMZVCRSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290444531 534350049 /nfs/dbraw/zinc/35/00/49/534350049.db2.gz SMEIYVDBPYABHW-ZDUSSCGKSA-N 2 2 218.344 2.877 20 30 BFEDLP C=C(CC)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000358639602 534396784 /nfs/dbraw/zinc/39/67/84/534396784.db2.gz ZPCNMHSIGHYVQF-ZIAGYGMSSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(CC)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000358639602 534396787 /nfs/dbraw/zinc/39/67/87/534396787.db2.gz ZPCNMHSIGHYVQF-ZIAGYGMSSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438985 584597183 /nfs/dbraw/zinc/59/71/83/584597183.db2.gz PYEOXCJFTPOEAR-FVQBIDKESA-N 2 2 244.382 2.946 20 30 BFEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903420537 584763683 /nfs/dbraw/zinc/76/36/83/584763683.db2.gz BTJBTHVYZHREED-PPWQZUPISA-N 2 2 249.402 2.518 20 30 BFEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903420537 584763685 /nfs/dbraw/zinc/76/36/85/584763685.db2.gz BTJBTHVYZHREED-PPWQZUPISA-N 2 2 249.402 2.518 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000877095420 584889828 /nfs/dbraw/zinc/88/98/28/584889828.db2.gz YBRLGYBZFPVDMS-LSDHHAIUSA-N 2 2 248.414 2.785 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000877095420 584889831 /nfs/dbraw/zinc/88/98/31/584889831.db2.gz YBRLGYBZFPVDMS-LSDHHAIUSA-N 2 2 248.414 2.785 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000845952602 588251492 /nfs/dbraw/zinc/25/14/92/588251492.db2.gz RSLUFRPBRHARBJ-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000845952602 588251493 /nfs/dbraw/zinc/25/14/93/588251493.db2.gz RSLUFRPBRHARBJ-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000845952605 588251597 /nfs/dbraw/zinc/25/15/97/588251597.db2.gz RSLUFRPBRHARBJ-ZNMIVQPWSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000845952605 588251598 /nfs/dbraw/zinc/25/15/98/588251598.db2.gz RSLUFRPBRHARBJ-ZNMIVQPWSA-N 2 2 236.403 2.805 20 30 BFEDLP C#CCCCCCC[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000877154394 590293133 /nfs/dbraw/zinc/29/31/33/590293133.db2.gz PILBBCRJYLSRQY-OAHLLOKOSA-N 2 2 236.403 2.502 20 30 BFEDLP C#CCCCCCC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000877154394 590293135 /nfs/dbraw/zinc/29/31/35/590293135.db2.gz PILBBCRJYLSRQY-OAHLLOKOSA-N 2 2 236.403 2.502 20 30 BFEDLP C=CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571199 591098351 /nfs/dbraw/zinc/09/83/51/591098351.db2.gz OQXOSFVRUXDOML-HNNXBMFYSA-N 2 2 241.338 2.790 20 30 BFEDLP C=CC[C@H](C)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000883433685 591664254 /nfs/dbraw/zinc/66/42/54/591664254.db2.gz WTCSYBYXWUNXRP-TUKIKUTGSA-N 2 2 248.345 2.517 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000883433685 591664255 /nfs/dbraw/zinc/66/42/55/591664255.db2.gz WTCSYBYXWUNXRP-TUKIKUTGSA-N 2 2 248.345 2.517 20 30 BFEDLP CCC#C[C@@H](C)[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716269 592310280 /nfs/dbraw/zinc/31/02/80/592310280.db2.gz TWKZZKRFBOMRJK-OAHLLOKOSA-N 2 2 248.414 2.739 20 30 BFEDLP C=CCC[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000886861923 592372328 /nfs/dbraw/zinc/37/23/28/592372328.db2.gz QXKBMBOEQXFQQC-UHFFFAOYSA-N 2 2 238.762 2.677 20 30 BFEDLP C=CCC[N@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000886861923 592372330 /nfs/dbraw/zinc/37/23/30/592372330.db2.gz QXKBMBOEQXFQQC-UHFFFAOYSA-N 2 2 238.762 2.677 20 30 BFEDLP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000925692366 634321765 /nfs/dbraw/zinc/32/17/65/634321765.db2.gz JWWSAKASZBDNCS-TZMCWYRMSA-N 2 2 245.370 2.604 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000931620163 640286718 /nfs/dbraw/zinc/28/67/18/640286718.db2.gz FANIMYIWIATTDU-HOTGVXAUSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000931620163 640286723 /nfs/dbraw/zinc/28/67/23/640286723.db2.gz FANIMYIWIATTDU-HOTGVXAUSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931620163 640286728 /nfs/dbraw/zinc/28/67/28/640286728.db2.gz FANIMYIWIATTDU-HOTGVXAUSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931620163 640286734 /nfs/dbraw/zinc/28/67/34/640286734.db2.gz FANIMYIWIATTDU-HOTGVXAUSA-N 2 2 248.414 2.739 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926521159 645251720 /nfs/dbraw/zinc/25/17/20/645251720.db2.gz MEQYSBVGAUSZBI-UONOGXRCSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926521159 645251726 /nfs/dbraw/zinc/25/17/26/645251726.db2.gz MEQYSBVGAUSZBI-UONOGXRCSA-N 2 2 236.403 2.805 20 30 BFEDLP C=C(CC)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926549136 645271901 /nfs/dbraw/zinc/27/19/01/645271901.db2.gz FGTRMKCCRJDPRK-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(CC)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926549136 645271911 /nfs/dbraw/zinc/27/19/11/645271911.db2.gz FGTRMKCCRJDPRK-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925041358 646164960 /nfs/dbraw/zinc/16/49/60/646164960.db2.gz LGWYTMLLMYJXSF-ZDUSSCGKSA-N 2 2 239.407 2.636 20 30 BFEDLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925041358 646164962 /nfs/dbraw/zinc/16/49/62/646164962.db2.gz LGWYTMLLMYJXSF-ZDUSSCGKSA-N 2 2 239.407 2.636 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925433201 646261757 /nfs/dbraw/zinc/26/17/57/646261757.db2.gz WSCXVYNEJWYQQI-MJBXVCDLSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925433201 646261763 /nfs/dbraw/zinc/26/17/63/646261763.db2.gz WSCXVYNEJWYQQI-MJBXVCDLSA-N 2 2 222.376 2.558 20 30 BFEDLP CCC[C@@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168306332 964402945 /nfs/dbraw/zinc/40/29/45/964402945.db2.gz WWUZEQVDQGANSF-RUXDESIVSA-N 2 2 237.391 2.531 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904838 967222482 /nfs/dbraw/zinc/22/24/82/967222482.db2.gz ZWBCJTKAYSOEQQ-HUUCEWRRSA-N 2 2 246.398 2.712 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904838 967222491 /nfs/dbraw/zinc/22/24/91/967222491.db2.gz ZWBCJTKAYSOEQQ-HUUCEWRRSA-N 2 2 246.398 2.712 20 30 BFEDLP C=CCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209164077 969364338 /nfs/dbraw/zinc/36/43/38/969364338.db2.gz RTKBVLADUPIDAF-UHFFFAOYSA-N 2 2 224.392 2.757 20 30 BFEDLP C=CCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209164077 969364342 /nfs/dbraw/zinc/36/43/42/969364342.db2.gz RTKBVLADUPIDAF-UHFFFAOYSA-N 2 2 224.392 2.757 20 30 BFEDLP C=CCCCCC[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209423506 969492117 /nfs/dbraw/zinc/49/21/17/969492117.db2.gz VXAMQXKECGGSIL-UHFFFAOYSA-N 2 2 233.359 2.754 20 30 BFEDLP C=CCCCCC[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209423506 969492124 /nfs/dbraw/zinc/49/21/24/969492124.db2.gz VXAMQXKECGGSIL-UHFFFAOYSA-N 2 2 233.359 2.754 20 30 BFEDLP C[NH+]1C(C)(C)CC([NH2+]CC2(C#N)CC2)CC1(C)C ZINC001171624798 974117805 /nfs/dbraw/zinc/11/78/05/974117805.db2.gz XWBLUVLTPWEAHA-UHFFFAOYSA-N 2 2 249.402 2.531 20 30 BFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173324889 975274750 /nfs/dbraw/zinc/27/47/50/975274750.db2.gz XBANLRJBHUTZLY-NRXISQOPSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173324889 975274756 /nfs/dbraw/zinc/27/47/56/975274756.db2.gz XBANLRJBHUTZLY-NRXISQOPSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001235066710 978967579 /nfs/dbraw/zinc/96/75/79/978967579.db2.gz UUWUBODMWZKIKU-CVEARBPZSA-N 2 2 246.398 2.727 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001235066710 978967581 /nfs/dbraw/zinc/96/75/81/978967581.db2.gz UUWUBODMWZKIKU-CVEARBPZSA-N 2 2 246.398 2.727 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC001235445903 979044237 /nfs/dbraw/zinc/04/42/37/979044237.db2.gz VOIRAYDHEUNAJY-MRXNPFEDSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC001235445903 979044242 /nfs/dbraw/zinc/04/42/42/979044242.db2.gz VOIRAYDHEUNAJY-MRXNPFEDSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001235673132 979111048 /nfs/dbraw/zinc/11/10/48/979111048.db2.gz BUEXAEOWOXOUOK-HNNXBMFYSA-N 2 2 230.355 2.599 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC001235673132 979111056 /nfs/dbraw/zinc/11/10/56/979111056.db2.gz BUEXAEOWOXOUOK-HNNXBMFYSA-N 2 2 230.355 2.599 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673133 979114021 /nfs/dbraw/zinc/11/40/21/979114021.db2.gz BUEXAEOWOXOUOK-OAHLLOKOSA-N 2 2 230.355 2.599 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673133 979114027 /nfs/dbraw/zinc/11/40/27/979114027.db2.gz BUEXAEOWOXOUOK-OAHLLOKOSA-N 2 2 230.355 2.599 20 30 BFEDLP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909955 979205147 /nfs/dbraw/zinc/20/51/47/979205147.db2.gz JQOGBVFBEXEDNX-UONOGXRCSA-N 2 2 242.382 2.884 20 30 BFEDLP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909955 979205157 /nfs/dbraw/zinc/20/51/57/979205157.db2.gz JQOGBVFBEXEDNX-UONOGXRCSA-N 2 2 242.382 2.884 20 30 BFEDLP C=CCCCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019085 979803346 /nfs/dbraw/zinc/80/33/46/979803346.db2.gz BOCZDOBNDWGTQH-INIZCTEOSA-N 2 2 244.382 2.728 20 30 BFEDLP C=CCCCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019085 979803348 /nfs/dbraw/zinc/80/33/48/979803348.db2.gz BOCZDOBNDWGTQH-INIZCTEOSA-N 2 2 244.382 2.728 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246799453 988478188 /nfs/dbraw/zinc/47/81/88/988478188.db2.gz ZJYLYBBSFQAYSD-GOEBONIOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246799453 988478196 /nfs/dbraw/zinc/47/81/96/988478196.db2.gz ZJYLYBBSFQAYSD-GOEBONIOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[C@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258732094 991674767 /nfs/dbraw/zinc/67/47/67/991674767.db2.gz IXTOQMVQGHCXJC-STQMWFEESA-N 2 2 233.359 2.877 20 30 BFEDLP C=CCCCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308169078 995586524 /nfs/dbraw/zinc/58/65/24/995586524.db2.gz XWZOINFCCHDQFL-UHFFFAOYSA-N 2 2 247.386 2.956 20 30 BFEDLP C[C@@H](CCC#N)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000602474743 349562179 /nfs/dbraw/zinc/56/21/79/349562179.db2.gz ZWMIMIVETAYGCZ-LBPRGKRZSA-N 2 2 246.358 2.529 20 30 BFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C#N)CC1 ZINC000602509193 349584080 /nfs/dbraw/zinc/58/40/80/349584080.db2.gz PGMZUXXKZPHNGR-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCCC2)CC1(C)C ZINC000600173374 342695542 /nfs/dbraw/zinc/69/55/42/342695542.db2.gz NNTJKMJSBOMALA-ZDUSSCGKSA-N 2 2 249.402 2.533 20 30 BFEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCCC2)CC1(C)C ZINC000600173374 342695544 /nfs/dbraw/zinc/69/55/44/342695544.db2.gz NNTJKMJSBOMALA-ZDUSSCGKSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC1([NH2+]CCn2cc[nH+]c2)CCCCC1 ZINC000625934818 344572042 /nfs/dbraw/zinc/57/20/42/344572042.db2.gz BEJCPYMJIVRTOK-UHFFFAOYSA-N 2 2 233.359 2.752 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000583451516 344999251 /nfs/dbraw/zinc/99/92/51/344999251.db2.gz XOLWWRUTYNRWSJ-DZGCQCFKSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000583451516 344999252 /nfs/dbraw/zinc/99/92/52/344999252.db2.gz XOLWWRUTYNRWSJ-DZGCQCFKSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1[N@@H+](CC23CC(C2)C[NH2+]3)CCCC1(C)C ZINC000634995092 345183562 /nfs/dbraw/zinc/18/35/62/345183562.db2.gz UXLPIXJQELHICQ-NPCAHTBFSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@H]1[N@H+](CC23CC(C2)C[NH2+]3)CCCC1(C)C ZINC000634995092 345183566 /nfs/dbraw/zinc/18/35/66/345183566.db2.gz UXLPIXJQELHICQ-NPCAHTBFSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000310583246 347294796 /nfs/dbraw/zinc/29/47/96/347294796.db2.gz SJEIDAFUKWMZHV-STQMWFEESA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000310583246 347294799 /nfs/dbraw/zinc/29/47/99/347294799.db2.gz SJEIDAFUKWMZHV-STQMWFEESA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000310583243 347295089 /nfs/dbraw/zinc/29/50/89/347295089.db2.gz SJEIDAFUKWMZHV-CHWSQXEVSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000310583243 347295093 /nfs/dbraw/zinc/29/50/93/347295093.db2.gz SJEIDAFUKWMZHV-CHWSQXEVSA-N 2 2 236.403 2.804 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595056901 348183198 /nfs/dbraw/zinc/18/31/98/348183198.db2.gz SFHVFXMEMGIONU-MJBXVCDLSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595056901 348183201 /nfs/dbraw/zinc/18/32/01/348183201.db2.gz SFHVFXMEMGIONU-MJBXVCDLSA-N 2 2 249.402 2.531 20 30 BFEDLP N#CC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCCCC1 ZINC000596649051 348605525 /nfs/dbraw/zinc/60/55/25/348605525.db2.gz AMDFZTYRLXVWMF-KGLIPLIRSA-N 2 2 249.402 2.710 20 30 BFEDLP C=CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250521641 349174778 /nfs/dbraw/zinc/17/47/78/349174778.db2.gz LOMLRSVMOBOQJP-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250521641 349174783 /nfs/dbraw/zinc/17/47/83/349174783.db2.gz LOMLRSVMOBOQJP-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP CC(C)[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000405161595 352008796 /nfs/dbraw/zinc/00/87/96/352008796.db2.gz YHOIZKVKDIUISV-UHFFFAOYSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336738688 352145480 /nfs/dbraw/zinc/14/54/80/352145480.db2.gz OLYXXLLHANBIGE-AVGNSLFASA-N 2 2 222.376 2.556 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336738688 352145485 /nfs/dbraw/zinc/14/54/85/352145485.db2.gz OLYXXLLHANBIGE-AVGNSLFASA-N 2 2 222.376 2.556 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336738678 352145559 /nfs/dbraw/zinc/14/55/59/352145559.db2.gz OLYXXLLHANBIGE-AGIUHOORSA-N 2 2 222.376 2.556 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336738678 352145563 /nfs/dbraw/zinc/14/55/63/352145563.db2.gz OLYXXLLHANBIGE-AGIUHOORSA-N 2 2 222.376 2.556 20 30 BFEDLP C[N@H+](CCCn1cc[nH+]c1)CC(C)(C)CCC#N ZINC000290512825 352229172 /nfs/dbraw/zinc/22/91/72/352229172.db2.gz PQYRSUIJYALAMW-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)CCC#N ZINC000290512825 352229175 /nfs/dbraw/zinc/22/91/75/352229175.db2.gz PQYRSUIJYALAMW-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP C=C(C)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274771282 187917744 /nfs/dbraw/zinc/91/77/44/187917744.db2.gz HPWWDGXOFAAPRY-UHFFFAOYSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000130969502 353362285 /nfs/dbraw/zinc/36/22/85/353362285.db2.gz BLZDSCKWTBAFDV-UHFFFAOYSA-N 2 2 241.338 2.571 20 30 BFEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000130969502 353362288 /nfs/dbraw/zinc/36/22/88/353362288.db2.gz BLZDSCKWTBAFDV-UHFFFAOYSA-N 2 2 241.338 2.571 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289432614 353628463 /nfs/dbraw/zinc/62/84/63/353628463.db2.gz SEWZOAJRBLFIBL-LSDHHAIUSA-N 2 2 230.355 2.598 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289432614 353628465 /nfs/dbraw/zinc/62/84/65/353628465.db2.gz SEWZOAJRBLFIBL-LSDHHAIUSA-N 2 2 230.355 2.598 20 30 BFEDLP C=C(C)C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354666154 134169279 /nfs/dbraw/zinc/16/92/79/134169279.db2.gz PQGQDXAQBPQOHV-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=C(C)C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354666154 134169280 /nfs/dbraw/zinc/16/92/80/134169280.db2.gz PQGQDXAQBPQOHV-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=CC[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000628406962 357202968 /nfs/dbraw/zinc/20/29/68/357202968.db2.gz VQMHPDUQOLLPHX-CYBMUJFWSA-N 2 2 241.338 2.732 20 30 BFEDLP C=CC[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000628406962 357202970 /nfs/dbraw/zinc/20/29/70/357202970.db2.gz VQMHPDUQOLLPHX-CYBMUJFWSA-N 2 2 241.338 2.732 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@H+](CCC#N)C(C)C ZINC000582752579 357381055 /nfs/dbraw/zinc/38/10/55/357381055.db2.gz YDCDEWYFFISNQO-UHFFFAOYSA-N 2 2 245.370 2.947 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@@H+](CCC#N)C(C)C ZINC000582752579 357381058 /nfs/dbraw/zinc/38/10/58/357381058.db2.gz YDCDEWYFFISNQO-UHFFFAOYSA-N 2 2 245.370 2.947 20 30 BFEDLP CCC#C[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984378 358026385 /nfs/dbraw/zinc/02/63/85/358026385.db2.gz UMHQBYKXYQALFN-HNNXBMFYSA-N 2 2 248.414 2.739 20 30 BFEDLP CCC#C[C@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640018166 358080346 /nfs/dbraw/zinc/08/03/46/358080346.db2.gz UNASHLBZBITRET-AWEZNQCLSA-N 2 2 236.403 2.595 20 30 BFEDLP C=CC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180207523 366395883 /nfs/dbraw/zinc/39/58/83/366395883.db2.gz WQBDZSLUERBVBH-UHFFFAOYSA-N 2 2 241.338 2.732 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000126759681 358554518 /nfs/dbraw/zinc/55/45/18/358554518.db2.gz QPGCXJXZKILHBS-AWEZNQCLSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131884159 358698502 /nfs/dbraw/zinc/69/85/02/358698502.db2.gz KNDUYPMBPFPENY-CQSZACIVSA-N 2 2 232.327 2.501 20 30 BFEDLP C=CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131884159 358698505 /nfs/dbraw/zinc/69/85/05/358698505.db2.gz KNDUYPMBPFPENY-CQSZACIVSA-N 2 2 232.327 2.501 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000578720599 366631234 /nfs/dbraw/zinc/63/12/34/366631234.db2.gz DCIQBJVVEIXNPC-HIFRSBDPSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000578720599 366631238 /nfs/dbraw/zinc/63/12/38/366631238.db2.gz DCIQBJVVEIXNPC-HIFRSBDPSA-N 2 2 236.403 2.948 20 30 BFEDLP C=C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358313342 366872631 /nfs/dbraw/zinc/87/26/31/366872631.db2.gz CWNYQQJBGLWPCY-OFQRWUPVSA-N 2 2 244.382 2.671 20 30 BFEDLP C=C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358313342 366872636 /nfs/dbraw/zinc/87/26/36/366872636.db2.gz CWNYQQJBGLWPCY-OFQRWUPVSA-N 2 2 244.382 2.671 20 30 BFEDLP C=CC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000360959003 366934876 /nfs/dbraw/zinc/93/48/76/366934876.db2.gz UZJPEIDNTIVDBC-INIZCTEOSA-N 2 2 246.398 2.919 20 30 BFEDLP C=CC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360959003 366934884 /nfs/dbraw/zinc/93/48/84/366934884.db2.gz UZJPEIDNTIVDBC-INIZCTEOSA-N 2 2 246.398 2.919 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000568239939 326332848 /nfs/dbraw/zinc/33/28/48/326332848.db2.gz VOSUBSWBPUCXQI-KGLIPLIRSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000568239939 326332851 /nfs/dbraw/zinc/33/28/51/326332851.db2.gz VOSUBSWBPUCXQI-KGLIPLIRSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000631222356 372245080 /nfs/dbraw/zinc/24/50/80/372245080.db2.gz WKSDQHRIBFPPJV-OLZOCXBDSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000631222356 372245083 /nfs/dbraw/zinc/24/50/83/372245083.db2.gz WKSDQHRIBFPPJV-OLZOCXBDSA-N 2 2 224.392 2.519 20 30 BFEDLP C=C[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000426558360 206050069 /nfs/dbraw/zinc/05/00/69/206050069.db2.gz IQHMILOYRXDAMG-ZDUSSCGKSA-N 2 2 241.338 2.875 20 30 BFEDLP C=C[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000426558360 206050074 /nfs/dbraw/zinc/05/00/74/206050074.db2.gz IQHMILOYRXDAMG-ZDUSSCGKSA-N 2 2 241.338 2.875 20 30 BFEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000426558359 206051369 /nfs/dbraw/zinc/05/13/69/206051369.db2.gz IQHMILOYRXDAMG-CYBMUJFWSA-N 2 2 241.338 2.875 20 30 BFEDLP C=C[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000426558359 206051374 /nfs/dbraw/zinc/05/13/74/206051374.db2.gz IQHMILOYRXDAMG-CYBMUJFWSA-N 2 2 241.338 2.875 20 30 BFEDLP C=C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132672004 384200808 /nfs/dbraw/zinc/20/08/08/384200808.db2.gz KRAOFYQNOKHVJN-GDBMZVCRSA-N 2 2 244.382 2.815 20 30 BFEDLP C=C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132672004 384200813 /nfs/dbraw/zinc/20/08/13/384200813.db2.gz KRAOFYQNOKHVJN-GDBMZVCRSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309978294 384757663 /nfs/dbraw/zinc/75/76/63/384757663.db2.gz UYRNMUILFUAPDJ-MELADBBJSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309978294 384757668 /nfs/dbraw/zinc/75/76/68/384757668.db2.gz UYRNMUILFUAPDJ-MELADBBJSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449104375 384861240 /nfs/dbraw/zinc/86/12/40/384861240.db2.gz VONZTJHTAYTRKF-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449104375 384861247 /nfs/dbraw/zinc/86/12/47/384861247.db2.gz VONZTJHTAYTRKF-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000297918191 384987231 /nfs/dbraw/zinc/98/72/31/384987231.db2.gz SUEQQRQCETXWEX-UHFFFAOYSA-N 2 2 235.375 2.641 20 30 BFEDLP C=CCCCCC[N@H+](C)CCc1c[nH+]cn1C ZINC000297918191 384987235 /nfs/dbraw/zinc/98/72/35/384987235.db2.gz SUEQQRQCETXWEX-UHFFFAOYSA-N 2 2 235.375 2.641 20 30 BFEDLP C=CCCCCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000131436375 385335352 /nfs/dbraw/zinc/33/53/52/385335352.db2.gz QEZXOHRFDNUXEG-UHFFFAOYSA-N 2 2 221.348 2.561 20 30 BFEDLP C=CCCCCC[N@H+](C)CCn1cc[nH+]c1 ZINC000131436375 385335357 /nfs/dbraw/zinc/33/53/57/385335357.db2.gz QEZXOHRFDNUXEG-UHFFFAOYSA-N 2 2 221.348 2.561 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414961301 385883792 /nfs/dbraw/zinc/88/37/92/385883792.db2.gz VBONDRVTBXNYOR-CJNGLKHVSA-N 2 2 244.382 2.818 20 30 BFEDLP C=CC[N@@H+](CCC[NH3+])Cc1ccc(Cl)s1 ZINC000414683741 386167391 /nfs/dbraw/zinc/16/73/91/386167391.db2.gz UKWFWVBWAWLMLQ-UHFFFAOYSA-N 2 2 244.791 2.738 20 30 BFEDLP C=CC[N@H+](CCC[NH3+])Cc1ccc(Cl)s1 ZINC000414683741 386167397 /nfs/dbraw/zinc/16/73/97/386167397.db2.gz UKWFWVBWAWLMLQ-UHFFFAOYSA-N 2 2 244.791 2.738 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336675176 386854822 /nfs/dbraw/zinc/85/48/22/386854822.db2.gz VDPSDSAICYJBPN-CHWSQXEVSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336675176 386854829 /nfs/dbraw/zinc/85/48/29/386854829.db2.gz VDPSDSAICYJBPN-CHWSQXEVSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccco1 ZINC000423317280 387156122 /nfs/dbraw/zinc/15/61/22/387156122.db2.gz KFFXWCOCTQSKMZ-QWHCGFSZSA-N 2 2 234.343 2.614 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccco1 ZINC000423317275 387157609 /nfs/dbraw/zinc/15/76/09/387157609.db2.gz KFFXWCOCTQSKMZ-CHWSQXEVSA-N 2 2 234.343 2.614 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])CC)c1ccco1 ZINC000423476954 387323483 /nfs/dbraw/zinc/32/34/83/387323483.db2.gz SYKQXXKBOFRFGT-NEPJUHHUSA-N 2 2 222.332 2.614 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000527738795 387704109 /nfs/dbraw/zinc/70/41/09/387704109.db2.gz WOBWTKQEBAUFBO-OLZOCXBDSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000527738795 387704116 /nfs/dbraw/zinc/70/41/16/387704116.db2.gz WOBWTKQEBAUFBO-OLZOCXBDSA-N 2 2 236.403 2.804 20 30 BFEDLP CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000442643589 387811700 /nfs/dbraw/zinc/81/17/00/387811700.db2.gz GMFRSYUQNGXPDH-UONOGXRCSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423025370 387844670 /nfs/dbraw/zinc/84/46/70/387844670.db2.gz LOBFAWNJHQOALU-GDBMZVCRSA-N 2 2 244.382 2.820 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccco1 ZINC000423268527 388046871 /nfs/dbraw/zinc/04/68/71/388046871.db2.gz GMHADCPOANKLGF-STQMWFEESA-N 2 2 236.359 2.860 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000449064161 388138390 /nfs/dbraw/zinc/13/83/90/388138390.db2.gz SOXNNRVWSKFOJF-CYBMUJFWSA-N 2 2 221.348 2.608 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449104370 388142910 /nfs/dbraw/zinc/14/29/10/388142910.db2.gz VONZTJHTAYTRKF-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449104370 388142911 /nfs/dbraw/zinc/14/29/11/388142911.db2.gz VONZTJHTAYTRKF-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C#C[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(C)C ZINC000491694371 388311699 /nfs/dbraw/zinc/31/16/99/388311699.db2.gz MBAMZIMUMAYAAE-HNNXBMFYSA-N 2 2 230.355 2.570 20 30 BFEDLP C=CCCCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000308638128 388446023 /nfs/dbraw/zinc/44/60/23/388446023.db2.gz TUOSFTMMGNEENY-UHFFFAOYSA-N 2 2 212.381 2.663 20 30 BFEDLP CCC[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000405098346 388637915 /nfs/dbraw/zinc/63/79/15/388637915.db2.gz BWRXKLVTYSJAOW-UHFFFAOYSA-N 2 2 249.402 2.534 20 30 BFEDLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)CC#N)c[nH+]1 ZINC000353651296 134164912 /nfs/dbraw/zinc/16/49/12/134164912.db2.gz CENJKXMLGQLLMO-ZDUSSCGKSA-N 2 2 231.343 2.557 20 30 BFEDLP Cc1ccc(CCC[N@H+](C)[C@@H](C)CC#N)c[nH+]1 ZINC000353651296 134164913 /nfs/dbraw/zinc/16/49/13/134164913.db2.gz CENJKXMLGQLLMO-ZDUSSCGKSA-N 2 2 231.343 2.557 20 30 BFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248812596 135021626 /nfs/dbraw/zinc/02/16/26/135021626.db2.gz KPKDDHYFUZOFRA-KFWWJZLASA-N 2 2 249.402 2.533 20 30 BFEDLP Cc1c[nH+]ccc1CC[NH2+]CC(C)(C)CCC#N ZINC000269975675 135168179 /nfs/dbraw/zinc/16/81/79/135168179.db2.gz MBRNYIPXLBZCBA-UHFFFAOYSA-N 2 2 245.370 2.852 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658287753 487577819 /nfs/dbraw/zinc/57/78/19/487577819.db2.gz MTFGWPYWZNHLIX-MELADBBJSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658287753 487577823 /nfs/dbraw/zinc/57/78/23/487577823.db2.gz MTFGWPYWZNHLIX-MELADBBJSA-N 2 2 224.392 2.661 20 30 BFEDLP C#CCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000271434833 166147995 /nfs/dbraw/zinc/14/79/95/166147995.db2.gz AMVSEYIXSHTJSR-UHFFFAOYSA-N 2 2 244.382 2.510 20 30 BFEDLP C#CCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000271434833 166147996 /nfs/dbraw/zinc/14/79/96/166147996.db2.gz AMVSEYIXSHTJSR-UHFFFAOYSA-N 2 2 244.382 2.510 20 30 BFEDLP C=CCCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271293461 166234169 /nfs/dbraw/zinc/23/41/69/166234169.db2.gz NGVDPJHMRQUAFA-ZIAGYGMSSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271293461 166234170 /nfs/dbraw/zinc/23/41/70/166234170.db2.gz NGVDPJHMRQUAFA-ZIAGYGMSSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271293446 166235212 /nfs/dbraw/zinc/23/52/12/166235212.db2.gz NGVDPJHMRQUAFA-KBPBESRZSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271293446 166235213 /nfs/dbraw/zinc/23/52/13/166235213.db2.gz NGVDPJHMRQUAFA-KBPBESRZSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000279083943 166242171 /nfs/dbraw/zinc/24/21/71/166242171.db2.gz HLTCTHXWRQFSMR-UHFFFAOYSA-N 2 2 229.327 2.699 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000173398406 166352819 /nfs/dbraw/zinc/35/28/19/166352819.db2.gz BGGJAIZDQBLLCM-CQSZACIVSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC)C1 ZINC000651666036 411133370 /nfs/dbraw/zinc/13/33/70/411133370.db2.gz NCOBDKLJNRDGGC-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)C1 ZINC000651666036 411133372 /nfs/dbraw/zinc/13/33/72/411133372.db2.gz NCOBDKLJNRDGGC-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000651694502 411136710 /nfs/dbraw/zinc/13/67/10/411136710.db2.gz GHOFBGGVEMMERR-KBPBESRZSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000651694502 411136711 /nfs/dbraw/zinc/13/67/11/411136711.db2.gz GHOFBGGVEMMERR-KBPBESRZSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000651695035 411136772 /nfs/dbraw/zinc/13/67/72/411136772.db2.gz YZNAREFJYHPKCF-KBPBESRZSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000651695035 411136773 /nfs/dbraw/zinc/13/67/73/411136773.db2.gz YZNAREFJYHPKCF-KBPBESRZSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000651767753 411142816 /nfs/dbraw/zinc/14/28/16/411142816.db2.gz KKZSAIJTXQDPIP-MCIONIFRSA-N 2 2 245.370 2.532 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062424 411228392 /nfs/dbraw/zinc/22/83/92/411228392.db2.gz RMRCCJLFAQLWBZ-CHWSQXEVSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062424 411228394 /nfs/dbraw/zinc/22/83/94/411228394.db2.gz RMRCCJLFAQLWBZ-CHWSQXEVSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657473282 411523158 /nfs/dbraw/zinc/52/31/58/411523158.db2.gz IJRSUNJYRRSVOD-UHFFFAOYSA-N 2 2 233.359 2.521 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849275 411536796 /nfs/dbraw/zinc/53/67/96/411536796.db2.gz RSZIGMLWPPMTCW-ZNMIVQPWSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849275 411536798 /nfs/dbraw/zinc/53/67/98/411536798.db2.gz RSZIGMLWPPMTCW-ZNMIVQPWSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657582846 411554385 /nfs/dbraw/zinc/55/43/85/411554385.db2.gz JGWFDZOEEFLINF-UHFFFAOYSA-N 2 2 233.340 2.600 20 30 BFEDLP C=CCC1([NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657701700 411582493 /nfs/dbraw/zinc/58/24/93/411582493.db2.gz BEJQPWAPTGTBBE-UHFFFAOYSA-N 2 2 245.370 2.808 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000657815518 411604803 /nfs/dbraw/zinc/60/48/03/411604803.db2.gz GFVBHVQYMCTTIC-HUUCEWRRSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000657871028 411614296 /nfs/dbraw/zinc/61/42/96/411614296.db2.gz IIRJNZVIQMVTBZ-MCIONIFRSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC1([NH2+]CC[NH+]2CCCCC2)CCCC1 ZINC000661847990 411901160 /nfs/dbraw/zinc/90/11/60/411901160.db2.gz HXQDZJIWKFOSTI-UHFFFAOYSA-N 2 2 236.403 2.951 20 30 BFEDLP C=C(C)COCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354417252 487720298 /nfs/dbraw/zinc/72/02/98/487720298.db2.gz KTTQFAXTQSXFIR-UHFFFAOYSA-N 2 2 248.370 2.505 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000568239938 326332961 /nfs/dbraw/zinc/33/29/61/326332961.db2.gz VOSUBSWBPUCXQI-KBPBESRZSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000568239938 326332963 /nfs/dbraw/zinc/33/29/63/326332963.db2.gz VOSUBSWBPUCXQI-KBPBESRZSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CC)CC1 ZINC000568462477 326357654 /nfs/dbraw/zinc/35/76/54/326357654.db2.gz ZGNDMEFLYDLVOR-DZGCQCFKSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000121084278 490074337 /nfs/dbraw/zinc/07/43/37/490074337.db2.gz SRFCOKFCGZZMMV-HZPDHXFCSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000121084278 490074343 /nfs/dbraw/zinc/07/43/43/490074343.db2.gz SRFCOKFCGZZMMV-HZPDHXFCSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000651666589 490129810 /nfs/dbraw/zinc/12/98/10/490129810.db2.gz HZYHJEURQGKENI-KGLIPLIRSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000651779957 491074945 /nfs/dbraw/zinc/07/49/45/491074945.db2.gz WQBDWDURWGHCMU-KBPBESRZSA-N 2 2 236.403 2.805 20 30 BFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248946781 535490565 /nfs/dbraw/zinc/49/05/65/535490565.db2.gz ZIRKMFRXZVIPSS-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248946781 535490571 /nfs/dbraw/zinc/49/05/71/535490571.db2.gz ZIRKMFRXZVIPSS-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(CC)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000358628131 534388095 /nfs/dbraw/zinc/38/80/95/534388095.db2.gz JPIKRDCWNPKXRD-LBPRGKRZSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C(CC)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000358628131 534388110 /nfs/dbraw/zinc/38/81/10/534388110.db2.gz JPIKRDCWNPKXRD-LBPRGKRZSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C(CC)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358639599 534396541 /nfs/dbraw/zinc/39/65/41/534396541.db2.gz ZPCNMHSIGHYVQF-KGLIPLIRSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(CC)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358639599 534396552 /nfs/dbraw/zinc/39/65/52/534396552.db2.gz ZPCNMHSIGHYVQF-KGLIPLIRSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103064 534801249 /nfs/dbraw/zinc/80/12/49/534801249.db2.gz RWCAEGJGBWOUOX-QWHCGFSZSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103064 534801255 /nfs/dbraw/zinc/80/12/55/534801255.db2.gz RWCAEGJGBWOUOX-QWHCGFSZSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487290032 526453310 /nfs/dbraw/zinc/45/33/10/526453310.db2.gz RAZDGYPVDCFCQY-JSGCOSHPSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000487290031 526453513 /nfs/dbraw/zinc/45/35/13/526453513.db2.gz RAZDGYPVDCFCQY-GXTWGEPZSA-N 2 2 236.403 2.661 20 30 BFEDLP C#CC1([NH2+]CCCc2c[nH+]ccc2C)CCCC1 ZINC000895675201 583704333 /nfs/dbraw/zinc/70/43/33/583704333.db2.gz NHYPNNNCNQFDFQ-UHFFFAOYSA-N 2 2 242.366 2.858 20 30 BFEDLP C=CC(C)(C)[NH2+]CCCc1c[nH+]ccc1C ZINC000898460091 584137511 /nfs/dbraw/zinc/13/75/11/584137511.db2.gz BUJRMJFFSWMVHD-UHFFFAOYSA-N 2 2 218.344 2.877 20 30 BFEDLP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902439943 584597286 /nfs/dbraw/zinc/59/72/86/584597286.db2.gz VMGVUBKMSDGVDU-CZPYZCIJSA-N 2 2 244.382 2.801 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199438 584734901 /nfs/dbraw/zinc/73/49/01/584734901.db2.gz XLYMFAVXGRNUBT-GFCCVEGCSA-N 2 2 233.359 2.592 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300671 584743717 /nfs/dbraw/zinc/74/37/17/584743717.db2.gz KRPGZZXDIAOKHE-KBXIAJHMSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300671 584743718 /nfs/dbraw/zinc/74/37/18/584743718.db2.gz KRPGZZXDIAOKHE-KBXIAJHMSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903301135 584744778 /nfs/dbraw/zinc/74/47/78/584744778.db2.gz NNORASAZUPZIOS-IHRRRGAJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903301135 584744779 /nfs/dbraw/zinc/74/47/79/584744779.db2.gz NNORASAZUPZIOS-IHRRRGAJSA-N 2 2 224.392 2.804 20 30 BFEDLP C[C@@H](N[NH+]=Cc1c[nH+]ccc1N(C)C)C(C)(C)C ZINC000793111748 586010307 /nfs/dbraw/zinc/01/03/07/586010307.db2.gz LSLVGNOEQSRFDV-LLVKDONJSA-N 2 2 248.374 2.506 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000878239943 590528386 /nfs/dbraw/zinc/52/83/86/590528386.db2.gz MBOAXIJBHFSDLG-HNNXBMFYSA-N 2 2 236.403 2.642 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000878239943 590528385 /nfs/dbraw/zinc/52/83/85/590528385.db2.gz MBOAXIJBHFSDLG-HNNXBMFYSA-N 2 2 236.403 2.642 20 30 BFEDLP C#CC(C)(C)[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000878514230 590585071 /nfs/dbraw/zinc/58/50/71/590585071.db2.gz PEQAYPHDJBQASP-UHFFFAOYSA-N 2 2 230.355 2.850 20 30 BFEDLP C#CC(C)(C)[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000878514230 590585073 /nfs/dbraw/zinc/58/50/73/590585073.db2.gz PEQAYPHDJBQASP-UHFFFAOYSA-N 2 2 230.355 2.850 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519011 590585183 /nfs/dbraw/zinc/58/51/83/590585183.db2.gz YPTRJJSIYIHZGQ-OLZOCXBDSA-N 2 2 233.359 2.564 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519011 590585185 /nfs/dbraw/zinc/58/51/85/590585185.db2.gz YPTRJJSIYIHZGQ-OLZOCXBDSA-N 2 2 233.359 2.564 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882987863 591494435 /nfs/dbraw/zinc/49/44/35/591494435.db2.gz RLPBOFSHZHVEMR-FOLVSLTJSA-N 2 2 248.414 2.805 20 30 BFEDLP C#CC[C@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000886365795 592220094 /nfs/dbraw/zinc/22/00/94/592220094.db2.gz PLCOLYILLMHDHP-HOTGVXAUSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000886365795 592220096 /nfs/dbraw/zinc/22/00/96/592220096.db2.gz PLCOLYILLMHDHP-HOTGVXAUSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365795 592220098 /nfs/dbraw/zinc/22/00/98/592220098.db2.gz PLCOLYILLMHDHP-HOTGVXAUSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365795 592220099 /nfs/dbraw/zinc/22/00/99/592220099.db2.gz PLCOLYILLMHDHP-HOTGVXAUSA-N 2 2 248.414 2.595 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926519882 632426945 /nfs/dbraw/zinc/42/69/45/632426945.db2.gz NIBCWBCPNDJEGW-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926519882 632426952 /nfs/dbraw/zinc/42/69/52/632426952.db2.gz NIBCWBCPNDJEGW-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926521162 645252370 /nfs/dbraw/zinc/25/23/70/645252370.db2.gz MEQYSBVGAUSZBI-ZIAGYGMSSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926521162 645252376 /nfs/dbraw/zinc/25/23/76/645252376.db2.gz MEQYSBVGAUSZBI-ZIAGYGMSSA-N 2 2 236.403 2.805 20 30 BFEDLP CCCC[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000925041354 646165801 /nfs/dbraw/zinc/16/58/01/646165801.db2.gz LGWYTMLLMYJXSF-CYBMUJFWSA-N 2 2 239.407 2.636 20 30 BFEDLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000925041354 646165803 /nfs/dbraw/zinc/16/58/03/646165803.db2.gz LGWYTMLLMYJXSF-CYBMUJFWSA-N 2 2 239.407 2.636 20 30 BFEDLP C=CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926197208 646591987 /nfs/dbraw/zinc/59/19/87/646591987.db2.gz CWHBHCHAGXGKFO-GJZGRUSLSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926197208 646591989 /nfs/dbraw/zinc/59/19/89/646591989.db2.gz CWHBHCHAGXGKFO-GJZGRUSLSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926323887 646615953 /nfs/dbraw/zinc/61/59/53/646615953.db2.gz OVUCABWKLGDUDD-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926323887 646615954 /nfs/dbraw/zinc/61/59/54/646615954.db2.gz OVUCABWKLGDUDD-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926323886 646616274 /nfs/dbraw/zinc/61/62/74/646616274.db2.gz OVUCABWKLGDUDD-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926323886 646616279 /nfs/dbraw/zinc/61/62/79/646616279.db2.gz OVUCABWKLGDUDD-KGLIPLIRSA-N 2 2 222.376 2.559 20 30 BFEDLP C[NH+](C)C1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001168297594 964391965 /nfs/dbraw/zinc/39/19/65/964391965.db2.gz FTEHHAKRNMIAKX-UHFFFAOYSA-N 2 2 249.402 2.675 20 30 BFEDLP C=CCCCCCCC[N@@H+](C)CC[NH2+]C ZINC001204720382 967138339 /nfs/dbraw/zinc/13/83/39/967138339.db2.gz GONYNMQMBRARFA-UHFFFAOYSA-N 2 2 212.381 2.664 20 30 BFEDLP C=CCCCCCCC[N@H+](C)CC[NH2+]C ZINC001204720382 967138343 /nfs/dbraw/zinc/13/83/43/967138343.db2.gz GONYNMQMBRARFA-UHFFFAOYSA-N 2 2 212.381 2.664 20 30 BFEDLP C=CC[N@@H+](Cc1c[nH+]ccc1N)C1CCCCC1 ZINC001209733451 969596239 /nfs/dbraw/zinc/59/62/39/969596239.db2.gz XRWCYBBEMBJANV-UHFFFAOYSA-N 2 2 245.370 2.815 20 30 BFEDLP C=CC[N@H+](Cc1c[nH+]ccc1N)C1CCCCC1 ZINC001209733451 969596241 /nfs/dbraw/zinc/59/62/41/969596241.db2.gz XRWCYBBEMBJANV-UHFFFAOYSA-N 2 2 245.370 2.815 20 30 BFEDLP C[C@@H](CCCC#N)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172502967 974857222 /nfs/dbraw/zinc/85/72/22/974857222.db2.gz XOSXXETVIZSKJA-QWHCGFSZSA-N 2 2 246.358 2.605 20 30 BFEDLP C=CCC[N@@H+](CC[NH2+]CC)Cc1ccccc1 ZINC001235702517 979129721 /nfs/dbraw/zinc/12/97/21/979129721.db2.gz LOGFUXPYWSROHZ-UHFFFAOYSA-N 2 2 232.371 2.674 20 30 BFEDLP C=CCC[N@H+](CC[NH2+]CC)Cc1ccccc1 ZINC001235702517 979129725 /nfs/dbraw/zinc/12/97/25/979129725.db2.gz LOGFUXPYWSROHZ-UHFFFAOYSA-N 2 2 232.371 2.674 20 30 BFEDLP C=CC[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001200526181 983110271 /nfs/dbraw/zinc/11/02/71/983110271.db2.gz OMHPWAYTAUAXRE-LLVKDONJSA-N 2 2 247.367 2.988 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508648 987862032 /nfs/dbraw/zinc/86/20/32/987862032.db2.gz WMOSKJXWAUITRW-TZMCWYRMSA-N 2 2 218.344 2.631 20 30 BFEDLP CCC[NH+]1CCC([NH2+]C2(CC#N)CCCC2)CC1 ZINC001258771632 991730331 /nfs/dbraw/zinc/73/03/31/991730331.db2.gz MESOEKSOUYZFRL-UHFFFAOYSA-N 2 2 249.402 2.677 20 30 BFEDLP CCCCCCC[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC000379451737 993241889 /nfs/dbraw/zinc/24/18/89/993241889.db2.gz BNWDLWOHIDFENI-CYBMUJFWSA-N 2 2 226.408 2.887 20 30 BFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602547065 349590420 /nfs/dbraw/zinc/59/04/20/349590420.db2.gz PISKTCFAFZSDJX-YMAMQOFZSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602547065 349590424 /nfs/dbraw/zinc/59/04/24/349590424.db2.gz PISKTCFAFZSDJX-YMAMQOFZSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381582347 539004104 /nfs/dbraw/zinc/00/41/04/539004104.db2.gz FXORZWLBXFYYDU-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381582347 539004105 /nfs/dbraw/zinc/00/41/05/539004105.db2.gz FXORZWLBXFYYDU-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602710847 349703445 /nfs/dbraw/zinc/70/34/45/349703445.db2.gz YSQXDSBGUGPULJ-JXQTWKCFSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602710847 349703447 /nfs/dbraw/zinc/70/34/47/349703447.db2.gz YSQXDSBGUGPULJ-JXQTWKCFSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1 ZINC000119814900 344596495 /nfs/dbraw/zinc/59/64/95/344596495.db2.gz HWXZTTCAFPDMFT-CYBMUJFWSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289570629 345912492 /nfs/dbraw/zinc/91/24/92/345912492.db2.gz HJAALJXUCSTQRR-UHFFFAOYSA-N 2 2 218.344 2.878 20 30 BFEDLP C=C(C)CC[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000419371668 192129586 /nfs/dbraw/zinc/12/95/86/192129586.db2.gz JHYCGASGGKMMOR-UHFFFAOYSA-N 2 2 224.392 2.759 20 30 BFEDLP C=C(C)CC[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000419371668 192129587 /nfs/dbraw/zinc/12/95/87/192129587.db2.gz JHYCGASGGKMMOR-UHFFFAOYSA-N 2 2 224.392 2.759 20 30 BFEDLP N#CC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCCCC1 ZINC000596649052 348605059 /nfs/dbraw/zinc/60/50/59/348605059.db2.gz AMDFZTYRLXVWMF-UONOGXRCSA-N 2 2 249.402 2.710 20 30 BFEDLP CC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000120350867 349315048 /nfs/dbraw/zinc/31/50/48/349315048.db2.gz QJWHZEYLACMFKY-MRXNPFEDSA-N 2 2 248.414 2.598 20 30 BFEDLP CC#CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000120350867 349315050 /nfs/dbraw/zinc/31/50/50/349315050.db2.gz QJWHZEYLACMFKY-MRXNPFEDSA-N 2 2 248.414 2.598 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@H](C)C[NH+](C)C ZINC000336728942 350484743 /nfs/dbraw/zinc/48/47/43/350484743.db2.gz IPCKXXHJRBJTIZ-CHWSQXEVSA-N 2 2 212.381 2.661 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336726268 351466765 /nfs/dbraw/zinc/46/67/65/351466765.db2.gz GEHYNAPYGMHAMF-MELADBBJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336726268 351466768 /nfs/dbraw/zinc/46/67/68/351466768.db2.gz GEHYNAPYGMHAMF-MELADBBJSA-N 2 2 224.392 2.804 20 30 BFEDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000274179332 351562480 /nfs/dbraw/zinc/56/24/80/351562480.db2.gz FDOFVIRJFYYNJH-ZFWWWQNUSA-N 2 2 243.354 2.605 20 30 BFEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000618887168 352156820 /nfs/dbraw/zinc/15/68/20/352156820.db2.gz LAFVEKCPXGVJEP-OLZOCXBDSA-N 2 2 246.358 2.529 20 30 BFEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000618887168 352156822 /nfs/dbraw/zinc/15/68/22/352156822.db2.gz LAFVEKCPXGVJEP-OLZOCXBDSA-N 2 2 246.358 2.529 20 30 BFEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000618887169 352156853 /nfs/dbraw/zinc/15/68/53/352156853.db2.gz LAFVEKCPXGVJEP-QWHCGFSZSA-N 2 2 246.358 2.529 20 30 BFEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000618887169 352156856 /nfs/dbraw/zinc/15/68/56/352156856.db2.gz LAFVEKCPXGVJEP-QWHCGFSZSA-N 2 2 246.358 2.529 20 30 BFEDLP CC[C@H](CC#N)[NH2+]CCCc1c[nH+]ccc1C ZINC000289913721 352202359 /nfs/dbraw/zinc/20/23/59/352202359.db2.gz YBVUINLHUJNKKS-CQSZACIVSA-N 2 2 231.343 2.605 20 30 BFEDLP C=CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281929507 353468122 /nfs/dbraw/zinc/46/81/22/353468122.db2.gz DFPXTLNWXRGJAL-ZDUSSCGKSA-N 2 2 245.370 2.585 20 30 BFEDLP C=CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281929507 353468124 /nfs/dbraw/zinc/46/81/24/353468124.db2.gz DFPXTLNWXRGJAL-ZDUSSCGKSA-N 2 2 245.370 2.585 20 30 BFEDLP C=C(C)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285545629 353546667 /nfs/dbraw/zinc/54/66/67/353546667.db2.gz GFPFSDXTDFLSMK-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=C(C)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285545629 353546669 /nfs/dbraw/zinc/54/66/69/353546669.db2.gz GFPFSDXTDFLSMK-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=C(C)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285545629 353546673 /nfs/dbraw/zinc/54/66/73/353546673.db2.gz GFPFSDXTDFLSMK-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=C(C)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285545629 353546675 /nfs/dbraw/zinc/54/66/75/353546675.db2.gz GFPFSDXTDFLSMK-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=CCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285789021 353550739 /nfs/dbraw/zinc/55/07/39/353550739.db2.gz UPUBDDRMOIKIAX-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=CCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285789021 353550741 /nfs/dbraw/zinc/55/07/41/353550741.db2.gz UPUBDDRMOIKIAX-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=CCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285789021 353550745 /nfs/dbraw/zinc/55/07/45/353550745.db2.gz UPUBDDRMOIKIAX-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=CCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285789021 353550748 /nfs/dbraw/zinc/55/07/48/353550748.db2.gz UPUBDDRMOIKIAX-UHFFFAOYSA-N 2 2 236.359 2.609 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289432609 353628646 /nfs/dbraw/zinc/62/86/46/353628646.db2.gz SEWZOAJRBLFIBL-GJZGRUSLSA-N 2 2 230.355 2.598 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289432609 353628648 /nfs/dbraw/zinc/62/86/48/353628648.db2.gz SEWZOAJRBLFIBL-GJZGRUSLSA-N 2 2 230.355 2.598 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289453495 353629562 /nfs/dbraw/zinc/62/95/62/353629562.db2.gz VDCCOLTUJNYPFV-CVEARBPZSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289453495 353629565 /nfs/dbraw/zinc/62/95/65/353629565.db2.gz VDCCOLTUJNYPFV-CVEARBPZSA-N 2 2 244.382 2.988 20 30 BFEDLP C[C@@H](CCC#N)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000351617839 356030561 /nfs/dbraw/zinc/03/05/61/356030561.db2.gz ZWYHRHZBKXGMGC-AWEZNQCLSA-N 2 2 249.402 2.629 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000126753723 358554317 /nfs/dbraw/zinc/55/43/17/358554317.db2.gz LBKFXHQIGDVAIB-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000309629565 358949787 /nfs/dbraw/zinc/94/97/87/358949787.db2.gz GQQPSXVYGXPCJG-UONOGXRCSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000309629565 358949790 /nfs/dbraw/zinc/94/97/90/358949790.db2.gz GQQPSXVYGXPCJG-UONOGXRCSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000119857480 359988496 /nfs/dbraw/zinc/98/84/96/359988496.db2.gz XYIBUZLOYHWCSD-GJZGRUSLSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000119857480 359988502 /nfs/dbraw/zinc/98/85/02/359988502.db2.gz XYIBUZLOYHWCSD-GJZGRUSLSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579123463 366718293 /nfs/dbraw/zinc/71/82/93/366718293.db2.gz SKHDTDSCDRHDLF-UONOGXRCSA-N 2 2 247.386 2.954 20 30 BFEDLP C=CCCC[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579123463 366718297 /nfs/dbraw/zinc/71/82/97/366718297.db2.gz SKHDTDSCDRHDLF-UONOGXRCSA-N 2 2 247.386 2.954 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442791012 192990990 /nfs/dbraw/zinc/99/09/90/192990990.db2.gz KDUQARAPTHQNHT-LJISPDSOSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442791012 192990993 /nfs/dbraw/zinc/99/09/93/192990993.db2.gz KDUQARAPTHQNHT-LJISPDSOSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000574720287 365129800 /nfs/dbraw/zinc/12/98/00/365129800.db2.gz CXDIOCQAKJTRCH-ZDUSSCGKSA-N 2 2 233.359 2.945 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000574720287 365129807 /nfs/dbraw/zinc/12/98/07/365129807.db2.gz CXDIOCQAKJTRCH-ZDUSSCGKSA-N 2 2 233.359 2.945 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000309779119 326167491 /nfs/dbraw/zinc/16/74/91/326167491.db2.gz QNTNMJOJRIIGPS-IHRRRGAJSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000309779119 326167495 /nfs/dbraw/zinc/16/74/95/326167495.db2.gz QNTNMJOJRIIGPS-IHRRRGAJSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459670777 203333968 /nfs/dbraw/zinc/33/39/68/203333968.db2.gz VWKPMBDSWCEIFC-ZDUSSCGKSA-N 2 2 235.375 2.687 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101681 371307494 /nfs/dbraw/zinc/30/74/94/371307494.db2.gz UNSHOCUVMQSOJI-ZNMIVQPWSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101681 371307499 /nfs/dbraw/zinc/30/74/99/371307499.db2.gz UNSHOCUVMQSOJI-ZNMIVQPWSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)CC)CC1 ZINC000167400314 206144633 /nfs/dbraw/zinc/14/46/33/206144633.db2.gz QVYKBVWXZOZTCR-CHWSQXEVSA-N 2 2 224.392 2.661 20 30 BFEDLP C=C(CC)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000313492280 384421443 /nfs/dbraw/zinc/42/14/43/384421443.db2.gz NKPLTFVWPSFCQQ-UHFFFAOYSA-N 2 2 245.370 2.606 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449255934 384581038 /nfs/dbraw/zinc/58/10/38/384581038.db2.gz AZGUDHJFKJFBHF-UONOGXRCSA-N 2 2 247.386 2.922 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449104374 384860734 /nfs/dbraw/zinc/86/07/34/384860734.db2.gz VONZTJHTAYTRKF-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449104374 384860741 /nfs/dbraw/zinc/86/07/41/384860741.db2.gz VONZTJHTAYTRKF-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H](C)C[NH+](C)C ZINC000309164922 385444718 /nfs/dbraw/zinc/44/47/18/385444718.db2.gz IPCKXXHJRBJTIZ-QWHCGFSZSA-N 2 2 212.381 2.661 20 30 BFEDLP CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000519715003 386534262 /nfs/dbraw/zinc/53/42/62/386534262.db2.gz XHTLNXSOANDCIB-KBPBESRZSA-N 2 2 237.391 2.531 20 30 BFEDLP CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC000519715003 386534267 /nfs/dbraw/zinc/53/42/67/386534267.db2.gz XHTLNXSOANDCIB-KBPBESRZSA-N 2 2 237.391 2.531 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000119857352 386645696 /nfs/dbraw/zinc/64/56/96/386645696.db2.gz XYIBUZLOYHWCSD-CABCVRRESA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000119857352 386645701 /nfs/dbraw/zinc/64/57/01/386645701.db2.gz XYIBUZLOYHWCSD-CABCVRRESA-N 2 2 236.403 2.805 20 30 BFEDLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000425359117 386975520 /nfs/dbraw/zinc/97/55/20/386975520.db2.gz UUKZCSDWRQSOTJ-LSDHHAIUSA-N 2 2 243.354 2.605 20 30 BFEDLP Cc1ccc(CCC[NH2+]CC2(C#N)CCC2)c[nH+]1 ZINC000418144022 387167178 /nfs/dbraw/zinc/16/71/78/387167178.db2.gz RZULLTZKSJULOU-UHFFFAOYSA-N 2 2 243.354 2.606 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000274796726 387491366 /nfs/dbraw/zinc/49/13/66/387491366.db2.gz DHOJJVYPJQFDBP-ZIAGYGMSSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000274796726 387491373 /nfs/dbraw/zinc/49/13/73/387491373.db2.gz DHOJJVYPJQFDBP-ZIAGYGMSSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000527923252 387791680 /nfs/dbraw/zinc/79/16/80/387791680.db2.gz CZKYVTDGMDPOSS-TZMCWYRMSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000527923252 387791684 /nfs/dbraw/zinc/79/16/84/387791684.db2.gz CZKYVTDGMDPOSS-TZMCWYRMSA-N 2 2 236.403 2.661 20 30 BFEDLP C=C(C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423025373 387842790 /nfs/dbraw/zinc/84/27/90/387842790.db2.gz LOBFAWNJHQOALU-ZBFHGGJFSA-N 2 2 244.382 2.820 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000423268524 388047699 /nfs/dbraw/zinc/04/76/99/388047699.db2.gz GMHADCPOANKLGF-OLZOCXBDSA-N 2 2 236.359 2.860 20 30 BFEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+](C)C1CC1 ZINC000449134749 388146893 /nfs/dbraw/zinc/14/68/93/388146893.db2.gz LCQRNVCGPFQZHS-OPFPJEHXSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+](C)C1CC1 ZINC000449134749 388146895 /nfs/dbraw/zinc/14/68/95/388146895.db2.gz LCQRNVCGPFQZHS-OPFPJEHXSA-N 2 2 249.402 2.531 20 30 BFEDLP C#CC[N@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000490916576 388259960 /nfs/dbraw/zinc/25/99/60/388259960.db2.gz SYYDUXNKYINYOK-UHFFFAOYSA-N 2 2 245.370 2.541 20 30 BFEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000490916576 388259962 /nfs/dbraw/zinc/25/99/62/388259962.db2.gz SYYDUXNKYINYOK-UHFFFAOYSA-N 2 2 245.370 2.541 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000552252291 388686485 /nfs/dbraw/zinc/68/64/85/388686485.db2.gz HRHHOHGXFUZOPN-GJZGRUSLSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154650155 388642608 /nfs/dbraw/zinc/64/26/08/388642608.db2.gz KDEOTQNPKOGGPN-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154650155 388642610 /nfs/dbraw/zinc/64/26/10/388642610.db2.gz KDEOTQNPKOGGPN-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000126816703 388704680 /nfs/dbraw/zinc/70/46/80/388704680.db2.gz KALQPAQELGWSLD-KGLIPLIRSA-N 2 2 226.408 2.907 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000352118954 134074681 /nfs/dbraw/zinc/07/46/81/134074681.db2.gz WRDNNMNNMYWJQC-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000352118954 134074682 /nfs/dbraw/zinc/07/46/82/134074682.db2.gz WRDNNMNNMYWJQC-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCOCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354572590 134169233 /nfs/dbraw/zinc/16/92/33/134169233.db2.gz RHNYQQJNFADXKL-UHFFFAOYSA-N 2 2 248.370 2.505 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000367995926 134216694 /nfs/dbraw/zinc/21/66/94/134216694.db2.gz OHXCKEUBFBCEIR-QWHCGFSZSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000367995926 134216695 /nfs/dbraw/zinc/21/66/95/134216695.db2.gz OHXCKEUBFBCEIR-QWHCGFSZSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439361 134938828 /nfs/dbraw/zinc/93/88/28/134938828.db2.gz TYWBRNJOZMQNGZ-QWHCGFSZSA-N 2 2 247.386 2.910 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337986390 135027298 /nfs/dbraw/zinc/02/72/98/135027298.db2.gz CENHNLRMIJUGRL-HOTGVXAUSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000338544383 135039099 /nfs/dbraw/zinc/03/90/99/135039099.db2.gz NOVSDIVTGMLJAO-KFWWJZLASA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000338544383 135039101 /nfs/dbraw/zinc/03/91/01/135039101.db2.gz NOVSDIVTGMLJAO-KFWWJZLASA-N 2 2 236.403 2.900 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(CC)o2)CC1 ZINC000177772220 166352484 /nfs/dbraw/zinc/35/24/84/166352484.db2.gz DYOYRJMANQQSAB-UHFFFAOYSA-N 2 2 248.370 2.582 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000651695038 411136677 /nfs/dbraw/zinc/13/66/77/411136677.db2.gz YZNAREFJYHPKCF-ZIAGYGMSSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000651695038 411136678 /nfs/dbraw/zinc/13/66/78/411136678.db2.gz YZNAREFJYHPKCF-ZIAGYGMSSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000651707270 411137320 /nfs/dbraw/zinc/13/73/20/411137320.db2.gz DXUAJDYKZNFJEO-MCIONIFRSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000651707270 411137321 /nfs/dbraw/zinc/13/73/21/411137321.db2.gz DXUAJDYKZNFJEO-MCIONIFRSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000656787552 411365784 /nfs/dbraw/zinc/36/57/84/411365784.db2.gz MURMKIKEFWOQPZ-KBPBESRZSA-N 2 2 224.392 2.648 20 30 BFEDLP C=CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000656787552 411365787 /nfs/dbraw/zinc/36/57/87/411365787.db2.gz MURMKIKEFWOQPZ-KBPBESRZSA-N 2 2 224.392 2.648 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000657815515 411604829 /nfs/dbraw/zinc/60/48/29/411604829.db2.gz GFVBHVQYMCTTIC-GJZGRUSLSA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657821801 411607293 /nfs/dbraw/zinc/60/72/93/411607293.db2.gz SXXYUDNESBWQTO-KGLIPLIRSA-N 2 2 233.359 2.608 20 30 BFEDLP C=C(C)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560462055 322987621 /nfs/dbraw/zinc/98/76/21/322987621.db2.gz DSSUICDJANAPRB-UHFFFAOYSA-N 2 2 245.370 2.924 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000121605139 324018584 /nfs/dbraw/zinc/01/85/84/324018584.db2.gz UYPWFPJPQLVBHE-INWMFGNUSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000121605139 324018586 /nfs/dbraw/zinc/01/85/86/324018586.db2.gz UYPWFPJPQLVBHE-INWMFGNUSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CCC1(C[NH2+]Cc2c[nH+]c(C)n2C)CCCC1 ZINC000567367837 326176256 /nfs/dbraw/zinc/17/62/56/326176256.db2.gz AVNAJIFWTWHZKE-UHFFFAOYSA-N 2 2 247.386 2.955 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC=C)CC2)C1 ZINC000651700753 490133874 /nfs/dbraw/zinc/13/38/74/490133874.db2.gz RUUBUYWCFLGJDK-GDBMZVCRSA-N 2 2 248.414 2.971 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358259897 534357640 /nfs/dbraw/zinc/35/76/40/534357640.db2.gz VDZALYGUBIXRON-GJZGRUSLSA-N 2 2 236.403 2.829 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358259897 534357647 /nfs/dbraw/zinc/35/76/47/534357647.db2.gz VDZALYGUBIXRON-GJZGRUSLSA-N 2 2 236.403 2.829 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336731331 534359180 /nfs/dbraw/zinc/35/91/80/534359180.db2.gz FFBBICWODMOACL-XUXIUFHCSA-N 2 2 224.392 2.659 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336731331 534359184 /nfs/dbraw/zinc/35/91/84/534359184.db2.gz FFBBICWODMOACL-XUXIUFHCSA-N 2 2 224.392 2.659 20 30 BFEDLP C=C(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000358508304 534399504 /nfs/dbraw/zinc/39/95/04/534399504.db2.gz MCEPZBPZAZSCLI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=C(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000358508304 534399514 /nfs/dbraw/zinc/39/95/14/534399514.db2.gz MCEPZBPZAZSCLI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=C(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000358508304 534399525 /nfs/dbraw/zinc/39/95/25/534399525.db2.gz MCEPZBPZAZSCLI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=C(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000358508304 534399532 /nfs/dbraw/zinc/39/95/32/534399532.db2.gz MCEPZBPZAZSCLI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248946778 535493142 /nfs/dbraw/zinc/49/31/42/535493142.db2.gz ZIRKMFRXZVIPSS-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248946778 535493145 /nfs/dbraw/zinc/49/31/45/535493145.db2.gz ZIRKMFRXZVIPSS-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCOCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668582726 566303770 /nfs/dbraw/zinc/30/37/70/566303770.db2.gz ZHXUXTSISYSTNP-UHFFFAOYSA-N 2 2 248.370 2.505 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902439945 584597068 /nfs/dbraw/zinc/59/70/68/584597068.db2.gz VMGVUBKMSDGVDU-UAXWRAGISA-N 2 2 244.382 2.801 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201993 584735541 /nfs/dbraw/zinc/73/55/41/584735541.db2.gz TUSIPIZFEPSXQN-STQMWFEESA-N 2 2 247.386 2.838 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300673 584744015 /nfs/dbraw/zinc/74/40/15/584744015.db2.gz KRPGZZXDIAOKHE-XGUBFFRZSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300673 584744017 /nfs/dbraw/zinc/74/40/17/584744017.db2.gz KRPGZZXDIAOKHE-XGUBFFRZSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301136 584745150 /nfs/dbraw/zinc/74/51/50/584745150.db2.gz NNORASAZUPZIOS-MELADBBJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301136 584745151 /nfs/dbraw/zinc/74/51/51/584745151.db2.gz NNORASAZUPZIOS-MELADBBJSA-N 2 2 224.392 2.804 20 30 BFEDLP C[NH2+][C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903715961 584794037 /nfs/dbraw/zinc/79/40/37/584794037.db2.gz CZOJTYADLNYAMY-CQSZACIVSA-N 2 2 249.402 2.534 20 30 BFEDLP C[NH2+][C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903715961 584794039 /nfs/dbraw/zinc/79/40/39/584794039.db2.gz CZOJTYADLNYAMY-CQSZACIVSA-N 2 2 249.402 2.534 20 30 BFEDLP CC1(C)C[N@H+](CCCCC2(C#N)CCC2)C[C@@H]1[NH3+] ZINC000903786407 584800503 /nfs/dbraw/zinc/80/05/03/584800503.db2.gz IEHWJJMSBVSYES-ZDUSSCGKSA-N 2 2 249.402 2.520 20 30 BFEDLP CC1(C)C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1[NH3+] ZINC000903786407 584800505 /nfs/dbraw/zinc/80/05/05/584800505.db2.gz IEHWJJMSBVSYES-ZDUSSCGKSA-N 2 2 249.402 2.520 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000747870326 585185043 /nfs/dbraw/zinc/18/50/43/585185043.db2.gz RPRMCWLJZAZUJY-ZFWWWQNUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000747870326 585185044 /nfs/dbraw/zinc/18/50/44/585185044.db2.gz RPRMCWLJZAZUJY-ZFWWWQNUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000126773271 590442229 /nfs/dbraw/zinc/44/22/29/590442229.db2.gz PKPHFZNYKQBELH-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C#CCCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878173095 590515183 /nfs/dbraw/zinc/51/51/83/590515183.db2.gz QYQDZSNXKBLCMV-UHFFFAOYSA-N 2 2 245.370 2.783 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252857 590529407 /nfs/dbraw/zinc/52/94/07/590529407.db2.gz XBXZOANFEVODFW-NWDGAFQWSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252857 590529408 /nfs/dbraw/zinc/52/94/08/590529408.db2.gz XBXZOANFEVODFW-NWDGAFQWSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879947707 590894677 /nfs/dbraw/zinc/89/46/77/590894677.db2.gz KQYBBQLSCYJJSK-UHFFFAOYSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880142896 590941355 /nfs/dbraw/zinc/94/13/55/590941355.db2.gz VSQCUGXIFWXMTC-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880142896 590941360 /nfs/dbraw/zinc/94/13/60/590941360.db2.gz VSQCUGXIFWXMTC-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880142896 590941363 /nfs/dbraw/zinc/94/13/63/590941363.db2.gz VSQCUGXIFWXMTC-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880142896 590941366 /nfs/dbraw/zinc/94/13/66/590941366.db2.gz VSQCUGXIFWXMTC-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567739 591097126 /nfs/dbraw/zinc/09/71/26/591097126.db2.gz NGPNCQVVTZTVSX-HNNXBMFYSA-N 2 2 241.338 2.790 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883187493 591567186 /nfs/dbraw/zinc/56/71/86/591567186.db2.gz PAOZVXIPEJNFSF-OAHLLOKOSA-N 2 2 248.414 2.949 20 30 BFEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000883221633 591576595 /nfs/dbraw/zinc/57/65/95/591576595.db2.gz FGCONQLOKZBTHW-INIZCTEOSA-N 2 2 246.398 2.715 20 30 BFEDLP C#CC[C@@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000886365796 592220175 /nfs/dbraw/zinc/22/01/75/592220175.db2.gz PLCOLYILLMHDHP-HZPDHXFCSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000886365796 592220178 /nfs/dbraw/zinc/22/01/78/592220178.db2.gz PLCOLYILLMHDHP-HZPDHXFCSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365796 592220179 /nfs/dbraw/zinc/22/01/79/592220179.db2.gz PLCOLYILLMHDHP-HZPDHXFCSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365796 592220181 /nfs/dbraw/zinc/22/01/81/592220181.db2.gz PLCOLYILLMHDHP-HZPDHXFCSA-N 2 2 248.414 2.595 20 30 BFEDLP CCC#C[C@H](C)[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716268 592310629 /nfs/dbraw/zinc/31/06/29/592310629.db2.gz TWKZZKRFBOMRJK-HNNXBMFYSA-N 2 2 248.414 2.739 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926519880 632426354 /nfs/dbraw/zinc/42/63/54/632426354.db2.gz NIBCWBCPNDJEGW-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926519880 632426361 /nfs/dbraw/zinc/42/63/61/632426361.db2.gz NIBCWBCPNDJEGW-KBPBESRZSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926521155 645252995 /nfs/dbraw/zinc/25/29/95/645252995.db2.gz MEQYSBVGAUSZBI-KGLIPLIRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926521155 645253002 /nfs/dbraw/zinc/25/30/02/645253002.db2.gz MEQYSBVGAUSZBI-KGLIPLIRSA-N 2 2 236.403 2.805 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926568500 645287262 /nfs/dbraw/zinc/28/72/62/645287262.db2.gz MPFSZJVBUCPMKM-KGLIPLIRSA-N 2 2 249.402 2.533 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926568500 645287265 /nfs/dbraw/zinc/28/72/65/645287265.db2.gz MPFSZJVBUCPMKM-KGLIPLIRSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925433199 646264800 /nfs/dbraw/zinc/26/48/00/646264800.db2.gz WSCXVYNEJWYQQI-IHRRRGAJSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925433199 646264806 /nfs/dbraw/zinc/26/48/06/646264806.db2.gz WSCXVYNEJWYQQI-IHRRRGAJSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926323888 646616208 /nfs/dbraw/zinc/61/62/08/646616208.db2.gz OVUCABWKLGDUDD-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926323888 646616210 /nfs/dbraw/zinc/61/62/10/646616210.db2.gz OVUCABWKLGDUDD-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP CC(C)[NH+]1CCC([NH2+]C2(CC#N)CCCC2)CC1 ZINC001257213966 971129345 /nfs/dbraw/zinc/12/93/45/971129345.db2.gz XTAAPWWBCQJWOV-UHFFFAOYSA-N 2 2 249.402 2.675 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC001204849179 967201007 /nfs/dbraw/zinc/20/10/07/967201007.db2.gz YQLUMPJOKABMCG-INIZCTEOSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC001204849179 967201016 /nfs/dbraw/zinc/20/10/16/967201016.db2.gz YQLUMPJOKABMCG-INIZCTEOSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001205164646 967405142 /nfs/dbraw/zinc/40/51/42/967405142.db2.gz KSJAPPBGTSMVTB-INIZCTEOSA-N 2 2 244.382 2.989 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001205164646 967405149 /nfs/dbraw/zinc/40/51/49/967405149.db2.gz KSJAPPBGTSMVTB-INIZCTEOSA-N 2 2 244.382 2.989 20 30 BFEDLP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895920 967876709 /nfs/dbraw/zinc/87/67/09/967876709.db2.gz QIWMSAXSEWEQHB-CHWSQXEVSA-N 2 2 230.371 2.718 20 30 BFEDLP CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895920 967876714 /nfs/dbraw/zinc/87/67/14/967876714.db2.gz QIWMSAXSEWEQHB-CHWSQXEVSA-N 2 2 230.371 2.718 20 30 BFEDLP C[N@@H+]1CCC[C@@H]([NH+](CCC#N)C2CCCC2)CC1 ZINC001254523979 969708790 /nfs/dbraw/zinc/70/87/90/969708790.db2.gz TUMOFEXTDSDIHR-OAHLLOKOSA-N 2 2 249.402 2.629 20 30 BFEDLP C[N@H+]1CCC[C@@H]([NH+](CCC#N)C2CCCC2)CC1 ZINC001254523979 969708796 /nfs/dbraw/zinc/70/87/96/969708796.db2.gz TUMOFEXTDSDIHR-OAHLLOKOSA-N 2 2 249.402 2.629 20 30 BFEDLP C[NH+]1CCC[C@@H]([N@H+](CCC#N)C2CCCC2)CC1 ZINC001254523979 969708807 /nfs/dbraw/zinc/70/88/07/969708807.db2.gz TUMOFEXTDSDIHR-OAHLLOKOSA-N 2 2 249.402 2.629 20 30 BFEDLP C[NH+]1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001254523979 969708814 /nfs/dbraw/zinc/70/88/14/969708814.db2.gz TUMOFEXTDSDIHR-OAHLLOKOSA-N 2 2 249.402 2.629 20 30 BFEDLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(CC#N)CC1 ZINC001173325463 975273916 /nfs/dbraw/zinc/27/39/16/975273916.db2.gz IZJXSEFGQQTBAQ-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(CC#N)CC1 ZINC001173325464 975274245 /nfs/dbraw/zinc/27/42/45/975274245.db2.gz IZJXSEFGQQTBAQ-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234994 979003756 /nfs/dbraw/zinc/00/37/56/979003756.db2.gz BVHMHQIFFDUMDZ-CABCVRRESA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234994 979003760 /nfs/dbraw/zinc/00/37/60/979003760.db2.gz BVHMHQIFFDUMDZ-CABCVRRESA-N 2 2 236.403 2.949 20 30 BFEDLP C=CC[NH2+]CC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001235960917 979225968 /nfs/dbraw/zinc/22/59/68/979225968.db2.gz YKWLBGYNQNYBFG-HNNXBMFYSA-N 2 2 232.371 2.845 20 30 BFEDLP C=CC[NH2+]CC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001235960917 979225979 /nfs/dbraw/zinc/22/59/79/979225979.db2.gz YKWLBGYNQNYBFG-HNNXBMFYSA-N 2 2 232.371 2.845 20 30 BFEDLP C=CC[NH+]1CCC(Nc2cc(F)cc(C)[nH+]2)CC1 ZINC001120896208 989949518 /nfs/dbraw/zinc/94/95/18/989949518.db2.gz KNNDQRAXTCGCRM-UHFFFAOYSA-N 2 2 249.333 2.591 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258722933 991655185 /nfs/dbraw/zinc/65/51/85/991655185.db2.gz PJCKPXIILCQLIZ-KGLIPLIRSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258722933 991655194 /nfs/dbraw/zinc/65/51/94/991655194.db2.gz PJCKPXIILCQLIZ-KGLIPLIRSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258725673 991662078 /nfs/dbraw/zinc/66/20/78/991662078.db2.gz MVDGPHXRJFNTTF-CZUORRHYSA-N 2 2 244.382 2.727 20 30 BFEDLP C=CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258725673 991662083 /nfs/dbraw/zinc/66/20/83/991662083.db2.gz MVDGPHXRJFNTTF-CZUORRHYSA-N 2 2 244.382 2.727 20 30 BFEDLP C=CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258725669 991662667 /nfs/dbraw/zinc/66/26/67/991662667.db2.gz MVDGPHXRJFNTTF-BBRMVZONSA-N 2 2 244.382 2.727 20 30 BFEDLP C=CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258725669 991662668 /nfs/dbraw/zinc/66/26/68/991662668.db2.gz MVDGPHXRJFNTTF-BBRMVZONSA-N 2 2 244.382 2.727 20 30 BFEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@](C)(C#N)CC ZINC001258900290 991894505 /nfs/dbraw/zinc/89/45/05/991894505.db2.gz HWZUJNGGXXVRTJ-KGLIPLIRSA-N 2 2 239.407 2.779 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+](C)CCCC ZINC000380329981 993325057 /nfs/dbraw/zinc/32/50/57/993325057.db2.gz NTBKAWSPYHURON-CYBMUJFWSA-N 2 2 212.381 2.663 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+](C)CCCC ZINC000380329981 993325061 /nfs/dbraw/zinc/32/50/61/993325061.db2.gz NTBKAWSPYHURON-CYBMUJFWSA-N 2 2 212.381 2.663 20 30 BFEDLP CCC#C[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001307598989 995415011 /nfs/dbraw/zinc/41/50/11/995415011.db2.gz ZGMCFSYBSLNINO-SOUVJXGZSA-N 2 2 245.370 2.568 20 30 BFEDLP CCC#C[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001307598989 995415020 /nfs/dbraw/zinc/41/50/20/995415020.db2.gz ZGMCFSYBSLNINO-SOUVJXGZSA-N 2 2 245.370 2.568 20 30 BFEDLP C=C(Cl)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000726072363 583334777 /nfs/dbraw/zinc/33/47/77/583334777.db2.gz QGIAWDMKOIZUBC-UHFFFAOYSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(Cl)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000726072363 583334781 /nfs/dbraw/zinc/33/47/81/583334781.db2.gz QGIAWDMKOIZUBC-UHFFFAOYSA-N 2 2 230.783 2.544 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000351759734 136252641 /nfs/dbraw/zinc/25/26/41/136252641.db2.gz SOWIGMCCEDHVBP-CQSZACIVSA-N 2 2 247.386 2.641 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000351759734 136252642 /nfs/dbraw/zinc/25/26/42/136252642.db2.gz SOWIGMCCEDHVBP-CQSZACIVSA-N 2 2 247.386 2.641 20 30 BFEDLP C=CCC[C@H]([NH2+]CCC[NH+](C)C)c1ccco1 ZINC000353433338 136265437 /nfs/dbraw/zinc/26/54/37/136265437.db2.gz FZMICOTULSYMQT-ZDUSSCGKSA-N 2 2 236.359 2.828 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000236659967 343105958 /nfs/dbraw/zinc/10/59/58/343105958.db2.gz KMBMDHBCAFONBX-UHFFFAOYSA-N 2 2 236.403 2.949 20 30 BFEDLP C=C(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000130851713 344225030 /nfs/dbraw/zinc/22/50/30/344225030.db2.gz GJQDUEPLRQTIHZ-ZBFHGGJFSA-N 2 2 244.382 2.673 20 30 BFEDLP C=C(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000130851713 344225034 /nfs/dbraw/zinc/22/50/34/344225034.db2.gz GJQDUEPLRQTIHZ-ZBFHGGJFSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CC[C@@H]1[N@@H+](CC23CC(C2)C[NH2+]3)CCCC1(C)C ZINC000634995091 345183474 /nfs/dbraw/zinc/18/34/74/345183474.db2.gz UXLPIXJQELHICQ-BBBYJDLNSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1[N@H+](CC23CC(C2)C[NH2+]3)CCCC1(C)C ZINC000634995091 345183477 /nfs/dbraw/zinc/18/34/77/345183477.db2.gz UXLPIXJQELHICQ-BBBYJDLNSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580208691 346673819 /nfs/dbraw/zinc/67/38/19/346673819.db2.gz JWRUPXFCFMJYKW-ZDUSSCGKSA-N 2 2 233.359 2.566 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580208691 346673822 /nfs/dbraw/zinc/67/38/22/346673822.db2.gz JWRUPXFCFMJYKW-ZDUSSCGKSA-N 2 2 233.359 2.566 20 30 BFEDLP C=C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000119346688 347287337 /nfs/dbraw/zinc/28/73/37/347287337.db2.gz CWNYQQJBGLWPCY-YCPHGPKFSA-N 2 2 244.382 2.671 20 30 BFEDLP C=C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000119346688 347287340 /nfs/dbraw/zinc/28/73/40/347287340.db2.gz CWNYQQJBGLWPCY-YCPHGPKFSA-N 2 2 244.382 2.671 20 30 BFEDLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594739961 348110635 /nfs/dbraw/zinc/11/06/35/348110635.db2.gz UXSAIYQCRNAWDX-KGLIPLIRSA-N 2 2 249.402 2.581 20 30 BFEDLP N#CC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCCCC1 ZINC000596649048 348605208 /nfs/dbraw/zinc/60/52/08/348605208.db2.gz AMDFZTYRLXVWMF-KBPBESRZSA-N 2 2 249.402 2.710 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427892033 191100488 /nfs/dbraw/zinc/10/04/88/191100488.db2.gz MKHBAYXEDVAEJV-UONOGXRCSA-N 2 2 247.386 2.922 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336726261 351467176 /nfs/dbraw/zinc/46/71/76/351467176.db2.gz GEHYNAPYGMHAMF-HZSPNIEDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336726261 351467178 /nfs/dbraw/zinc/46/71/78/351467178.db2.gz GEHYNAPYGMHAMF-HZSPNIEDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281929503 353468083 /nfs/dbraw/zinc/46/80/83/353468083.db2.gz DFPXTLNWXRGJAL-CYBMUJFWSA-N 2 2 245.370 2.585 20 30 BFEDLP C=CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281929503 353468084 /nfs/dbraw/zinc/46/80/84/353468084.db2.gz DFPXTLNWXRGJAL-CYBMUJFWSA-N 2 2 245.370 2.585 20 30 BFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000294914698 353798075 /nfs/dbraw/zinc/79/80/75/353798075.db2.gz GLQNZMHCGHZYTB-CYBMUJFWSA-N 2 2 248.370 2.502 20 30 BFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000294914698 353798077 /nfs/dbraw/zinc/79/80/77/353798077.db2.gz GLQNZMHCGHZYTB-CYBMUJFWSA-N 2 2 248.370 2.502 20 30 BFEDLP C=C(CC)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449731366 202011376 /nfs/dbraw/zinc/01/13/76/202011376.db2.gz IJNGTWNOBMEBIU-UHFFFAOYSA-N 2 2 229.327 2.699 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346548826 354983755 /nfs/dbraw/zinc/98/37/55/354983755.db2.gz CNEHGTTUYANSQD-AWEZNQCLSA-N 2 2 236.403 2.805 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(C)(C)C#N ZINC000354016599 134165805 /nfs/dbraw/zinc/16/58/05/134165805.db2.gz ASOYNLFJBSAKAA-UHFFFAOYSA-N 2 2 245.370 2.804 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(C)(C)C#N ZINC000354016599 134165806 /nfs/dbraw/zinc/16/58/06/134165806.db2.gz ASOYNLFJBSAKAA-UHFFFAOYSA-N 2 2 245.370 2.804 20 30 BFEDLP Cc1ccc(CCC[NH2+]CCCCC#N)c[nH+]1 ZINC000354344728 134167609 /nfs/dbraw/zinc/16/76/09/134167609.db2.gz AHCLLIZKGQCKCV-UHFFFAOYSA-N 2 2 231.343 2.606 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423165177 192602173 /nfs/dbraw/zinc/60/21/73/192602173.db2.gz ASAVOBFCEKCJQU-KGLIPLIRSA-N 2 2 243.354 2.661 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000582339419 357083583 /nfs/dbraw/zinc/08/35/83/357083583.db2.gz ZAPAPHCYAJQXGG-UKRRQHHQSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000582339419 357083587 /nfs/dbraw/zinc/08/35/87/357083587.db2.gz ZAPAPHCYAJQXGG-UKRRQHHQSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189115645 357616330 /nfs/dbraw/zinc/61/63/30/357616330.db2.gz RGTUJKPLONVVPN-HNNXBMFYSA-N 2 2 248.414 2.949 20 30 BFEDLP C=C(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000122553156 134239657 /nfs/dbraw/zinc/23/96/57/134239657.db2.gz GGQLAECBBZNEDL-UHFFFAOYSA-N 2 2 227.311 2.538 20 30 BFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836575 359226666 /nfs/dbraw/zinc/22/66/66/359226666.db2.gz PLXDTWUKACEVFF-CYBMUJFWSA-N 2 2 242.794 2.547 20 30 BFEDLP C=C(Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836575 359226671 /nfs/dbraw/zinc/22/66/71/359226671.db2.gz PLXDTWUKACEVFF-CYBMUJFWSA-N 2 2 242.794 2.547 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000574720282 365129922 /nfs/dbraw/zinc/12/99/22/365129922.db2.gz CXDIOCQAKJTRCH-CYBMUJFWSA-N 2 2 233.359 2.945 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000574720282 365129927 /nfs/dbraw/zinc/12/99/27/365129927.db2.gz CXDIOCQAKJTRCH-CYBMUJFWSA-N 2 2 233.359 2.945 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101679 371307425 /nfs/dbraw/zinc/30/74/25/371307425.db2.gz UNSHOCUVMQSOJI-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101679 371307428 /nfs/dbraw/zinc/30/74/28/371307428.db2.gz UNSHOCUVMQSOJI-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101680 371307898 /nfs/dbraw/zinc/30/78/98/371307898.db2.gz UNSHOCUVMQSOJI-RRFJBIMHSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101680 371307903 /nfs/dbraw/zinc/30/79/03/371307903.db2.gz UNSHOCUVMQSOJI-RRFJBIMHSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188276 371376949 /nfs/dbraw/zinc/37/69/49/371376949.db2.gz AMVXVLQCLRDVLR-HIFRSBDPSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188276 371376955 /nfs/dbraw/zinc/37/69/55/371376955.db2.gz AMVXVLQCLRDVLR-HIFRSBDPSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272049 371452357 /nfs/dbraw/zinc/45/23/57/371452357.db2.gz UNSHOCUVMQSOJI-QLFBSQMISA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272049 371452360 /nfs/dbraw/zinc/45/23/60/371452360.db2.gz UNSHOCUVMQSOJI-QLFBSQMISA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCC(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631216877 372240579 /nfs/dbraw/zinc/24/05/79/372240579.db2.gz CPGWLXWBCWCGLB-UHFFFAOYSA-N 2 2 247.386 2.911 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000631222361 372244962 /nfs/dbraw/zinc/24/49/62/372244962.db2.gz WKSDQHRIBFPPJV-QWHCGFSZSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000631222361 372244965 /nfs/dbraw/zinc/24/49/65/372244965.db2.gz WKSDQHRIBFPPJV-QWHCGFSZSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]CC[N@@H+](C)CC ZINC000449109856 384905230 /nfs/dbraw/zinc/90/52/30/384905230.db2.gz YZJFCFGWBIEKFK-ZDUSSCGKSA-N 2 2 212.381 2.663 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]CC[N@H+](C)CC ZINC000449109856 384905237 /nfs/dbraw/zinc/90/52/37/384905237.db2.gz YZJFCFGWBIEKFK-ZDUSSCGKSA-N 2 2 212.381 2.663 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427900157 385349952 /nfs/dbraw/zinc/34/99/52/385349952.db2.gz YBCSFAYGSOUXNP-KGLIPLIRSA-N 2 2 245.370 2.532 20 30 BFEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000192635594 385364906 /nfs/dbraw/zinc/36/49/06/385364906.db2.gz VDYZDCOGEFUMFY-CABCVRRESA-N 2 2 249.402 2.534 20 30 BFEDLP C=C(CC)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347111367 386232529 /nfs/dbraw/zinc/23/25/29/386232529.db2.gz QNWKTWJONMTZRT-CQSZACIVSA-N 2 2 232.327 2.501 20 30 BFEDLP C=C(CC)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347111367 386232533 /nfs/dbraw/zinc/23/25/33/386232533.db2.gz QNWKTWJONMTZRT-CQSZACIVSA-N 2 2 232.327 2.501 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831288 386710302 /nfs/dbraw/zinc/71/03/02/386710302.db2.gz MZYAGQVVQDYPFQ-TZMCWYRMSA-N 2 2 218.344 2.631 20 30 BFEDLP C=CC[C@@H]1[N@@H+](CCn2cc[nH+]c2)CCCC1(C)C ZINC000277645460 387537977 /nfs/dbraw/zinc/53/79/77/387537977.db2.gz CMOXWKPENBDNJI-AWEZNQCLSA-N 2 2 247.386 2.950 20 30 BFEDLP C=CC[C@@H]1[N@H+](CCn2cc[nH+]c2)CCCC1(C)C ZINC000277645460 387537984 /nfs/dbraw/zinc/53/79/84/387537984.db2.gz CMOXWKPENBDNJI-AWEZNQCLSA-N 2 2 247.386 2.950 20 30 BFEDLP C=CC[C@H]1[N@@H+](CCn2cc[nH+]c2)CCCC1(C)C ZINC000277645462 387538753 /nfs/dbraw/zinc/53/87/53/387538753.db2.gz CMOXWKPENBDNJI-CQSZACIVSA-N 2 2 247.386 2.950 20 30 BFEDLP C=CC[C@H]1[N@H+](CCn2cc[nH+]c2)CCCC1(C)C ZINC000277645462 387538757 /nfs/dbraw/zinc/53/87/57/387538757.db2.gz CMOXWKPENBDNJI-CQSZACIVSA-N 2 2 247.386 2.950 20 30 BFEDLP CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000442643587 387812749 /nfs/dbraw/zinc/81/27/49/387812749.db2.gz GMFRSYUQNGXPDH-KGLIPLIRSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccco1 ZINC000423183246 387967634 /nfs/dbraw/zinc/96/76/34/387967634.db2.gz HLWUEAOEYJCAQD-QWHCGFSZSA-N 2 2 234.343 2.629 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242497 388026217 /nfs/dbraw/zinc/02/62/17/388026217.db2.gz MBBXXZXUFSPECI-YDHLFZDLSA-N 2 2 232.371 2.877 20 30 BFEDLP C[NH+](C)C1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC000449267421 388164934 /nfs/dbraw/zinc/16/49/34/388164934.db2.gz ZIGHUFWTFWQMIR-UHFFFAOYSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449057505 388136849 /nfs/dbraw/zinc/13/68/49/388136849.db2.gz CPGLCGAIKDKKRM-SHARSMKWSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449057505 388136853 /nfs/dbraw/zinc/13/68/53/388136853.db2.gz CPGLCGAIKDKKRM-SHARSMKWSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449104372 388143205 /nfs/dbraw/zinc/14/32/05/388143205.db2.gz VONZTJHTAYTRKF-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449104372 388143207 /nfs/dbraw/zinc/14/32/07/388143207.db2.gz VONZTJHTAYTRKF-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=C(C)CC[NH2+]CCCc1c[nH+]ccc1C ZINC000449471721 388212873 /nfs/dbraw/zinc/21/28/73/388212873.db2.gz DJVADOIJNHFXPL-UHFFFAOYSA-N 2 2 218.344 2.878 20 30 BFEDLP C#CC[N@@H+](Cc1c[nH+]cn1C(C)C)C1CCCC1 ZINC000491485993 388298226 /nfs/dbraw/zinc/29/82/26/388298226.db2.gz SAFXGCJSGLARJJ-UHFFFAOYSA-N 2 2 245.370 2.842 20 30 BFEDLP C#CC[N@H+](Cc1c[nH+]cn1C(C)C)C1CCCC1 ZINC000491485993 388298227 /nfs/dbraw/zinc/29/82/27/388298227.db2.gz SAFXGCJSGLARJJ-UHFFFAOYSA-N 2 2 245.370 2.842 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000186325369 388598688 /nfs/dbraw/zinc/59/86/88/388598688.db2.gz MWBFGFGZNMQGEX-ZDUSSCGKSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H](C)C[NH+](C)C ZINC000309164923 133464417 /nfs/dbraw/zinc/46/44/17/133464417.db2.gz IPCKXXHJRBJTIZ-STQMWFEESA-N 2 2 212.381 2.661 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337986388 135027399 /nfs/dbraw/zinc/02/73/99/135027399.db2.gz CENHNLRMIJUGRL-CVEARBPZSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544385 135038962 /nfs/dbraw/zinc/03/89/62/135038962.db2.gz NOVSDIVTGMLJAO-QLFBSQMISA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544385 135038966 /nfs/dbraw/zinc/03/89/66/135038966.db2.gz NOVSDIVTGMLJAO-QLFBSQMISA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544385 135038968 /nfs/dbraw/zinc/03/89/68/135038968.db2.gz NOVSDIVTGMLJAO-QLFBSQMISA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544385 135038970 /nfs/dbraw/zinc/03/89/70/135038970.db2.gz NOVSDIVTGMLJAO-QLFBSQMISA-N 2 2 236.403 2.900 20 30 BFEDLP C=CC[N@@H+](CCC#N)CCCc1c[nH+]ccc1C ZINC000292808315 135178153 /nfs/dbraw/zinc/17/81/53/135178153.db2.gz OIPVWCCYLYRSLV-UHFFFAOYSA-N 2 2 243.354 2.724 20 30 BFEDLP C=CC[N@H+](CCC#N)CCCc1c[nH+]ccc1C ZINC000292808315 135178155 /nfs/dbraw/zinc/17/81/55/135178155.db2.gz OIPVWCCYLYRSLV-UHFFFAOYSA-N 2 2 243.354 2.724 20 30 BFEDLP C=CCCC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341149912 135234768 /nfs/dbraw/zinc/23/47/68/135234768.db2.gz WDQARJAESMTYSX-AWEZNQCLSA-N 2 2 235.375 2.950 20 30 BFEDLP C=CCCC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341149912 135234769 /nfs/dbraw/zinc/23/47/69/135234769.db2.gz WDQARJAESMTYSX-AWEZNQCLSA-N 2 2 235.375 2.950 20 30 BFEDLP C=C(C)COCC[NH2+]CCCc1c[nH+]ccc1C ZINC000348091809 136035809 /nfs/dbraw/zinc/03/58/09/136035809.db2.gz MKHXIVDXWCEYOV-UHFFFAOYSA-N 2 2 248.370 2.505 20 30 BFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccco1 ZINC000276426480 166295384 /nfs/dbraw/zinc/29/53/84/166295384.db2.gz ICVGTGODBSYWOF-CQSZACIVSA-N 2 2 248.370 2.971 20 30 BFEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CC=C)CC1)C1CC1 ZINC000178690041 166301483 /nfs/dbraw/zinc/30/14/83/166301483.db2.gz HBIQHAGFKHBWNM-INIZCTEOSA-N 2 2 248.414 2.971 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C1 ZINC000651666034 411133339 /nfs/dbraw/zinc/13/33/39/411133339.db2.gz NCOBDKLJNRDGGC-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000651666034 411133340 /nfs/dbraw/zinc/13/33/40/411133340.db2.gz NCOBDKLJNRDGGC-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000651749968 411140991 /nfs/dbraw/zinc/14/09/91/411140991.db2.gz QMLIYSDZSFFCKS-ZIAGYGMSSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000657927662 411169688 /nfs/dbraw/zinc/16/96/88/411169688.db2.gz VMWMTWOHXGARQK-KBXIAJHMSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000657927662 411169689 /nfs/dbraw/zinc/16/96/89/411169689.db2.gz VMWMTWOHXGARQK-KBXIAJHMSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062427 411228462 /nfs/dbraw/zinc/22/84/62/411228462.db2.gz RMRCCJLFAQLWBZ-STQMWFEESA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062427 411228464 /nfs/dbraw/zinc/22/84/64/411228464.db2.gz RMRCCJLFAQLWBZ-STQMWFEESA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCCCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000657505054 411539264 /nfs/dbraw/zinc/53/92/64/411539264.db2.gz SBACRTORQIULMM-UHFFFAOYSA-N 2 2 221.348 2.565 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000657815513 411605042 /nfs/dbraw/zinc/60/50/42/411605042.db2.gz GFVBHVQYMCTTIC-CABCVRRESA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000661115054 411713244 /nfs/dbraw/zinc/71/32/44/411713244.db2.gz OSAIRNRTQJBFJR-AAEUAGOBSA-N 2 2 219.332 2.634 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C1 ZINC000651666033 487813023 /nfs/dbraw/zinc/81/30/23/487813023.db2.gz NCOBDKLJNRDGGC-ILXRZTDVSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000651666033 487813031 /nfs/dbraw/zinc/81/30/31/487813031.db2.gz NCOBDKLJNRDGGC-ILXRZTDVSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309969269 487877403 /nfs/dbraw/zinc/87/74/03/487877403.db2.gz HUVXFGNOSVOLKI-HOCLYGCPSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309969269 487877407 /nfs/dbraw/zinc/87/74/07/487877407.db2.gz HUVXFGNOSVOLKI-HOCLYGCPSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000562533246 323023133 /nfs/dbraw/zinc/02/31/33/323023133.db2.gz AZGXNVKTDCBOML-UHFFFAOYSA-N 2 2 233.359 2.876 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000552252293 325614880 /nfs/dbraw/zinc/61/48/80/325614880.db2.gz HRHHOHGXFUZOPN-LSDHHAIUSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000651666590 490129494 /nfs/dbraw/zinc/12/94/94/490129494.db2.gz HZYHJEURQGKENI-UONOGXRCSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449255935 527173227 /nfs/dbraw/zinc/17/32/27/527173227.db2.gz AZGUDHJFKJFBHF-ZIAGYGMSSA-N 2 2 247.386 2.922 20 30 BFEDLP C#CC[N@@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000897171089 583889238 /nfs/dbraw/zinc/88/92/38/583889238.db2.gz PYZGEEPXWIDMOV-UHFFFAOYSA-N 2 2 230.355 2.666 20 30 BFEDLP C#CC[N@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000897171089 583889239 /nfs/dbraw/zinc/88/92/39/583889239.db2.gz PYZGEEPXWIDMOV-UHFFFAOYSA-N 2 2 230.355 2.666 20 30 BFEDLP C=CC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000898457763 584137283 /nfs/dbraw/zinc/13/72/83/584137283.db2.gz SZRFETKGRGCMMT-UHFFFAOYSA-N 2 2 241.338 2.927 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201567 584735327 /nfs/dbraw/zinc/73/53/27/584735327.db2.gz JMJUXYZDRUMOCA-CYBMUJFWSA-N 2 2 247.386 2.982 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300672 584743887 /nfs/dbraw/zinc/74/38/87/584743887.db2.gz KRPGZZXDIAOKHE-TUVASFSCSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300672 584743889 /nfs/dbraw/zinc/74/38/89/584743889.db2.gz KRPGZZXDIAOKHE-TUVASFSCSA-N 2 2 236.403 2.804 20 30 BFEDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903420540 584763897 /nfs/dbraw/zinc/76/38/97/584763897.db2.gz BTJBTHVYZHREED-XSCHDIRWSA-N 2 2 249.402 2.518 20 30 BFEDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903420540 584763898 /nfs/dbraw/zinc/76/38/98/584763898.db2.gz BTJBTHVYZHREED-XSCHDIRWSA-N 2 2 249.402 2.518 20 30 BFEDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903716968 584792641 /nfs/dbraw/zinc/79/26/41/584792641.db2.gz FNRYHKMLEOARBB-AWEZNQCLSA-N 2 2 249.402 2.534 20 30 BFEDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903716968 584792643 /nfs/dbraw/zinc/79/26/43/584792643.db2.gz FNRYHKMLEOARBB-AWEZNQCLSA-N 2 2 249.402 2.534 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)oc2C)CC1 ZINC000767353446 585517472 /nfs/dbraw/zinc/51/74/72/585517472.db2.gz RBJWPJUKYXKNFZ-UHFFFAOYSA-N 2 2 248.370 2.636 20 30 BFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000774134991 585651278 /nfs/dbraw/zinc/65/12/78/585651278.db2.gz QIYXYSXNASWBKC-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP CCC(CC)CN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000774460282 585659635 /nfs/dbraw/zinc/65/96/35/585659635.db2.gz DYRHMJPBUHRGTA-UHFFFAOYSA-N 2 2 248.374 2.507 20 30 BFEDLP C=CC[N@H+](Cc1cccc2[nH+]ccn21)C(C)C ZINC000775656360 585681902 /nfs/dbraw/zinc/68/19/02/585681902.db2.gz FWXOPTPFIKMSRA-UHFFFAOYSA-N 2 2 229.327 2.731 20 30 BFEDLP C=CC[N@@H+](Cc1cccc2[nH+]ccn21)C(C)C ZINC000775656360 585681903 /nfs/dbraw/zinc/68/19/03/585681903.db2.gz FWXOPTPFIKMSRA-UHFFFAOYSA-N 2 2 229.327 2.731 20 30 BFEDLP CCCCCCC[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000843387391 588105738 /nfs/dbraw/zinc/10/57/38/588105738.db2.gz GRUQPLMOYVCSKP-CYBMUJFWSA-N 2 2 230.371 2.590 20 30 BFEDLP CCCCCCC[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000843387391 588105739 /nfs/dbraw/zinc/10/57/39/588105739.db2.gz GRUQPLMOYVCSKP-CYBMUJFWSA-N 2 2 230.371 2.590 20 30 BFEDLP C=CC(C)(C)CCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000873151892 589987040 /nfs/dbraw/zinc/98/70/40/589987040.db2.gz SBINGYFREXQZJP-UHFFFAOYSA-N 2 2 235.375 2.811 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000877095242 590281722 /nfs/dbraw/zinc/28/17/22/590281722.db2.gz PZTITVOQTQMLNQ-ZBFHGGJFSA-N 2 2 248.414 2.642 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000877095242 590281723 /nfs/dbraw/zinc/28/17/23/590281723.db2.gz PZTITVOQTQMLNQ-ZBFHGGJFSA-N 2 2 248.414 2.642 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519010 590585819 /nfs/dbraw/zinc/58/58/19/590585819.db2.gz YPTRJJSIYIHZGQ-CHWSQXEVSA-N 2 2 233.359 2.564 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519010 590585820 /nfs/dbraw/zinc/58/58/20/590585820.db2.gz YPTRJJSIYIHZGQ-CHWSQXEVSA-N 2 2 233.359 2.564 20 30 BFEDLP CCCCCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000308607062 631447400 /nfs/dbraw/zinc/44/74/00/631447400.db2.gz GAIVQDQLWWCFGG-UHFFFAOYSA-N 2 2 214.397 2.887 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000931620168 640287629 /nfs/dbraw/zinc/28/76/29/640287629.db2.gz FANIMYIWIATTDU-JKSUJKDBSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000931620168 640287639 /nfs/dbraw/zinc/28/76/39/640287639.db2.gz FANIMYIWIATTDU-JKSUJKDBSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931620168 640287645 /nfs/dbraw/zinc/28/76/45/640287645.db2.gz FANIMYIWIATTDU-JKSUJKDBSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931620168 640287651 /nfs/dbraw/zinc/28/76/51/640287651.db2.gz FANIMYIWIATTDU-JKSUJKDBSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCC1([NH2+]CCCn2cc[nH+]c2)CCCCC1 ZINC000933264766 640691458 /nfs/dbraw/zinc/69/14/58/640691458.db2.gz CUQIITDTGWGPMO-UHFFFAOYSA-N 2 2 245.370 2.589 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926521154 645251226 /nfs/dbraw/zinc/25/12/26/645251226.db2.gz MEQYSBVGAUSZBI-KBPBESRZSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC(C)(C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926521154 645251214 /nfs/dbraw/zinc/25/12/14/645251214.db2.gz MEQYSBVGAUSZBI-KBPBESRZSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000924984824 646149517 /nfs/dbraw/zinc/14/95/17/646149517.db2.gz XXGUHSFBKUTNHV-XUJLQICISA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000924984825 646150738 /nfs/dbraw/zinc/15/07/38/646150738.db2.gz XXGUHSFBKUTNHV-ZBCRRDGASA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926351714 646623589 /nfs/dbraw/zinc/62/35/89/646623589.db2.gz SBCFOOCTVRPIRO-RRFJBIMHSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926351714 646623592 /nfs/dbraw/zinc/62/35/92/646623592.db2.gz SBCFOOCTVRPIRO-RRFJBIMHSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209432443 969505087 /nfs/dbraw/zinc/50/50/87/969505087.db2.gz FGXYXPBLRYJZCK-CABCVRRESA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209432443 969505105 /nfs/dbraw/zinc/50/51/05/969505105.db2.gz FGXYXPBLRYJZCK-CABCVRRESA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209432443 969505118 /nfs/dbraw/zinc/50/51/18/969505118.db2.gz FGXYXPBLRYJZCK-CABCVRRESA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209432443 969505127 /nfs/dbraw/zinc/50/51/27/969505127.db2.gz FGXYXPBLRYJZCK-CABCVRRESA-N 2 2 236.403 2.759 20 30 BFEDLP C=CC[N@H+]1CCC[C@H]1CNc1ccc(C)c(C)[nH+]1 ZINC001160953095 964454303 /nfs/dbraw/zinc/45/43/03/964454303.db2.gz QMMAWWKVCLUYBO-AWEZNQCLSA-N 2 2 245.370 2.761 20 30 BFEDLP C=CC[N@@H+]1CCC[C@H]1CNc1ccc(C)c(C)[nH+]1 ZINC001160953095 964454309 /nfs/dbraw/zinc/45/43/09/964454309.db2.gz QMMAWWKVCLUYBO-AWEZNQCLSA-N 2 2 245.370 2.761 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001206776880 968465143 /nfs/dbraw/zinc/46/51/43/968465143.db2.gz IJNRWJJQSIAEGK-ZDUSSCGKSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001206776880 968465149 /nfs/dbraw/zinc/46/51/49/968465149.db2.gz IJNRWJJQSIAEGK-ZDUSSCGKSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209166276 969368008 /nfs/dbraw/zinc/36/80/08/969368008.db2.gz YJANTQXKYPKVGV-AWEZNQCLSA-N 2 2 246.354 2.809 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209166276 969368016 /nfs/dbraw/zinc/36/80/16/969368016.db2.gz YJANTQXKYPKVGV-AWEZNQCLSA-N 2 2 246.354 2.809 20 30 BFEDLP C=CC[NH+](CC=C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680716 970455234 /nfs/dbraw/zinc/45/52/34/970455234.db2.gz HHKUWURZCGWKSY-YIONKMFJSA-N 2 2 234.387 2.676 20 30 BFEDLP C=CC[NH+](CC=C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680716 970455239 /nfs/dbraw/zinc/45/52/39/970455239.db2.gz HHKUWURZCGWKSY-YIONKMFJSA-N 2 2 234.387 2.676 20 30 BFEDLP C=CC[N@H+](C1CCCCC1)C1CC[NH+](C)CC1 ZINC001256208564 970712073 /nfs/dbraw/zinc/71/20/73/970712073.db2.gz CFNAGXVSRKPCRJ-UHFFFAOYSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CC[N@@H+](C1CCCCC1)C1CC[NH+](C)CC1 ZINC001256208564 970712083 /nfs/dbraw/zinc/71/20/83/970712083.db2.gz CFNAGXVSRKPCRJ-UHFFFAOYSA-N 2 2 236.403 2.901 20 30 BFEDLP C[C@@H](CCCC#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172502341 974856748 /nfs/dbraw/zinc/85/67/48/974856748.db2.gz UPRBFKXAKDEHLF-ZDUSSCGKSA-N 2 2 246.358 2.602 20 30 BFEDLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173586030 975426985 /nfs/dbraw/zinc/42/69/85/975426985.db2.gz DUPAMVICISHFFW-SHARSMKWSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173586030 975427001 /nfs/dbraw/zinc/42/70/01/975427001.db2.gz DUPAMVICISHFFW-SHARSMKWSA-N 2 2 249.402 2.531 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235005560 978951647 /nfs/dbraw/zinc/95/16/47/978951647.db2.gz HZADGUUMTRMEGN-OWCLPIDISA-N 2 2 246.398 2.583 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235005560 978951649 /nfs/dbraw/zinc/95/16/49/978951649.db2.gz HZADGUUMTRMEGN-OWCLPIDISA-N 2 2 246.398 2.583 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+](CC)CC[NH3+])CC1 ZINC001236140995 979408576 /nfs/dbraw/zinc/40/85/76/979408576.db2.gz CLEZXXZCCPUGHT-CQSZACIVSA-N 2 2 222.376 2.570 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)CC[NH3+])CC1 ZINC001236140995 979408582 /nfs/dbraw/zinc/40/85/82/979408582.db2.gz CLEZXXZCCPUGHT-CQSZACIVSA-N 2 2 222.376 2.570 20 30 BFEDLP C=CCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216950 979454237 /nfs/dbraw/zinc/45/42/37/979454237.db2.gz YZDGOCCHPOQLAV-HNNXBMFYSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216950 979454243 /nfs/dbraw/zinc/45/42/43/979454243.db2.gz YZDGOCCHPOQLAV-HNNXBMFYSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCC[C@H](C)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001258733274 986086337 /nfs/dbraw/zinc/08/63/37/986086337.db2.gz YLYPEYNLRUOTSW-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@H](C)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001258733274 986086359 /nfs/dbraw/zinc/08/63/59/986086359.db2.gz YLYPEYNLRUOTSW-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@H](C)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001258733274 986086376 /nfs/dbraw/zinc/08/63/76/986086376.db2.gz YLYPEYNLRUOTSW-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@H](C)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001258733274 986086388 /nfs/dbraw/zinc/08/63/88/986086388.db2.gz YLYPEYNLRUOTSW-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246488631 987843610 /nfs/dbraw/zinc/84/36/10/987843610.db2.gz KOXNMSQSBXTLCR-HUUCEWRRSA-N 2 2 230.355 2.645 20 30 BFEDLP C=C1C[C@@H]2CC([N@@H+]3CC[NH2+]C[C@@H](C)C3)C[C@H](C1)C2 ZINC001246575801 988083320 /nfs/dbraw/zinc/08/33/20/988083320.db2.gz XKXIVVSABPVXBN-JZWPEALZSA-N 2 2 248.414 2.663 20 30 BFEDLP C=C1C[C@@H]2CC([N@H+]3CC[NH2+]C[C@@H](C)C3)C[C@H](C1)C2 ZINC001246575801 988083331 /nfs/dbraw/zinc/08/33/31/988083331.db2.gz XKXIVVSABPVXBN-JZWPEALZSA-N 2 2 248.414 2.663 20 30 BFEDLP C=CCC[C@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001258730293 991672576 /nfs/dbraw/zinc/67/25/76/991672576.db2.gz DKKOMHBPWCPNCW-ZDUSSCGKSA-N 2 2 224.392 2.757 20 30 BFEDLP C=CCC[C@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001258730293 991672580 /nfs/dbraw/zinc/67/25/80/991672580.db2.gz DKKOMHBPWCPNCW-ZDUSSCGKSA-N 2 2 224.392 2.757 20 30 BFEDLP C=C(CC)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308166274 995585644 /nfs/dbraw/zinc/58/56/44/995585644.db2.gz IZHYLMVSYKOLKO-UHFFFAOYSA-N 2 2 233.359 2.566 20 30 BFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602547064 349590500 /nfs/dbraw/zinc/59/05/00/349590500.db2.gz PISKTCFAFZSDJX-NRXISQOPSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602547064 349590501 /nfs/dbraw/zinc/59/05/01/349590501.db2.gz PISKTCFAFZSDJX-NRXISQOPSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C#N)CC1 ZINC000602509191 349584313 /nfs/dbraw/zinc/58/43/13/349584313.db2.gz PGMZUXXKZPHNGR-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000580035198 343254601 /nfs/dbraw/zinc/25/46/01/343254601.db2.gz NCRXYXMVOCUUTQ-UHFFFAOYSA-N 2 2 229.327 2.699 20 30 BFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000294949829 346324776 /nfs/dbraw/zinc/32/47/76/346324776.db2.gz INCCOVIIWOXJMW-CYBMUJFWSA-N 2 2 248.370 2.502 20 30 BFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000294949829 346324781 /nfs/dbraw/zinc/32/47/81/346324781.db2.gz INCCOVIIWOXJMW-CYBMUJFWSA-N 2 2 248.370 2.502 20 30 BFEDLP CC#CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120350704 349315061 /nfs/dbraw/zinc/31/50/61/349315061.db2.gz QJWHZEYLACMFKY-INIZCTEOSA-N 2 2 248.414 2.598 20 30 BFEDLP CC#CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120350704 349315064 /nfs/dbraw/zinc/31/50/64/349315064.db2.gz QJWHZEYLACMFKY-INIZCTEOSA-N 2 2 248.414 2.598 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427859506 191095916 /nfs/dbraw/zinc/09/59/16/191095916.db2.gz WDZDLJATXLZBDZ-CHWSQXEVSA-N 2 2 233.359 2.532 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359334495 323353845 /nfs/dbraw/zinc/35/38/45/323353845.db2.gz CMJUKABLLCDIRU-ZIAGYGMSSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000359334495 323353849 /nfs/dbraw/zinc/35/38/49/323353849.db2.gz CMJUKABLLCDIRU-ZIAGYGMSSA-N 2 2 236.403 2.948 20 30 BFEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000274179329 351562825 /nfs/dbraw/zinc/56/28/25/351562825.db2.gz FDOFVIRJFYYNJH-UKRRQHHQSA-N 2 2 243.354 2.605 20 30 BFEDLP C=CCCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180343002 353392778 /nfs/dbraw/zinc/39/27/78/353392778.db2.gz AWKKPPNPNPPFIO-UHFFFAOYSA-N 2 2 229.327 2.732 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289432606 353628594 /nfs/dbraw/zinc/62/85/94/353628594.db2.gz SEWZOAJRBLFIBL-CABCVRRESA-N 2 2 230.355 2.598 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289432606 353628595 /nfs/dbraw/zinc/62/85/95/353628595.db2.gz SEWZOAJRBLFIBL-CABCVRRESA-N 2 2 230.355 2.598 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289333102 353613537 /nfs/dbraw/zinc/61/35/37/353613537.db2.gz DVQUMDCJACLTAY-HOTGVXAUSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289333102 353613539 /nfs/dbraw/zinc/61/35/39/353613539.db2.gz DVQUMDCJACLTAY-HOTGVXAUSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289333104 353613809 /nfs/dbraw/zinc/61/38/09/353613809.db2.gz DVQUMDCJACLTAY-HZPDHXFCSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289333104 353613812 /nfs/dbraw/zinc/61/38/12/353613812.db2.gz DVQUMDCJACLTAY-HZPDHXFCSA-N 2 2 244.382 2.988 20 30 BFEDLP CC[N@H+](CCCc1c[nH+]ccc1C)C[C@H](C)C#N ZINC000347618264 355237511 /nfs/dbraw/zinc/23/75/11/355237511.db2.gz URYACOKBCRJHEA-CYBMUJFWSA-N 2 2 245.370 2.804 20 30 BFEDLP CC[N@@H+](CCCc1c[nH+]ccc1C)C[C@H](C)C#N ZINC000347618264 355237513 /nfs/dbraw/zinc/23/75/13/355237513.db2.gz URYACOKBCRJHEA-CYBMUJFWSA-N 2 2 245.370 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354241 191791190 /nfs/dbraw/zinc/79/11/90/191791190.db2.gz LNGSVLKLPGZPHQ-ZDUSSCGKSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[N@@H+](CCOC)Cc1c(C)cc(C)[nH+]c1C ZINC000639608973 356531358 /nfs/dbraw/zinc/53/13/58/356531358.db2.gz ORBYSSSJMDFBJI-UHFFFAOYSA-N 2 2 248.370 2.641 20 30 BFEDLP C=CC[N@H+](CCOC)Cc1c(C)cc(C)[nH+]c1C ZINC000639608973 356531361 /nfs/dbraw/zinc/53/13/61/356531361.db2.gz ORBYSSSJMDFBJI-UHFFFAOYSA-N 2 2 248.370 2.641 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459652553 203330676 /nfs/dbraw/zinc/33/06/76/203330676.db2.gz CIDNBHCZAPZCJX-ZDUSSCGKSA-N 2 2 235.375 2.687 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000167403387 206146328 /nfs/dbraw/zinc/14/63/28/206146328.db2.gz JPGJXEZEDJCXKP-LBPRGKRZSA-N 2 2 224.392 2.661 20 30 BFEDLP CC(C)(C#N)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363467822 384072257 /nfs/dbraw/zinc/07/22/57/384072257.db2.gz KBDYGCURMJBGGP-UHFFFAOYSA-N 2 2 246.358 2.529 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309521292 384454050 /nfs/dbraw/zinc/45/40/50/384454050.db2.gz AOLYQOXINOZUAZ-STQMWFEESA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@@H+](C)CC ZINC000449109855 384905784 /nfs/dbraw/zinc/90/57/84/384905784.db2.gz YZJFCFGWBIEKFK-CYBMUJFWSA-N 2 2 212.381 2.663 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@H+](C)CC ZINC000449109855 384905790 /nfs/dbraw/zinc/90/57/90/384905790.db2.gz YZJFCFGWBIEKFK-CYBMUJFWSA-N 2 2 212.381 2.663 20 30 BFEDLP CCC(CC)C[N@H+](CCC#N)CCn1cc[nH+]c1 ZINC000131590617 385344118 /nfs/dbraw/zinc/34/41/18/385344118.db2.gz HYRCCWLZZOUNKY-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP CCC(CC)C[N@@H+](CCC#N)CCn1cc[nH+]c1 ZINC000131590617 385344127 /nfs/dbraw/zinc/34/41/27/385344127.db2.gz HYRCCWLZZOUNKY-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@H]2C[C@@H]2C)CC1 ZINC000414131499 385979168 /nfs/dbraw/zinc/97/91/68/385979168.db2.gz YBDOBVOGJILAEY-AEGPPILISA-N 2 2 236.403 2.661 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347274414 386313534 /nfs/dbraw/zinc/31/35/34/386313534.db2.gz ARMDCKJWVKPAAP-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347274414 386313537 /nfs/dbraw/zinc/31/35/37/386313537.db2.gz ARMDCKJWVKPAAP-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@@H](CC)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000281299686 386385815 /nfs/dbraw/zinc/38/58/15/386385815.db2.gz JEGYFWKJEAXVFI-GFCCVEGCSA-N 2 2 229.327 2.779 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417350675 386490181 /nfs/dbraw/zinc/49/01/81/386490181.db2.gz AXORRASHDNPVOV-ZDUSSCGKSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831287 386710064 /nfs/dbraw/zinc/71/00/64/386710064.db2.gz MZYAGQVVQDYPFQ-OCCSQVGLSA-N 2 2 218.344 2.631 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccco1 ZINC000423317279 387157098 /nfs/dbraw/zinc/15/70/98/387157098.db2.gz KFFXWCOCTQSKMZ-OLZOCXBDSA-N 2 2 234.343 2.614 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000120040310 387176886 /nfs/dbraw/zinc/17/68/86/387176886.db2.gz BYSQVYBKXXIOLE-OAHLLOKOSA-N 2 2 236.403 2.807 20 30 BFEDLP C=CCC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccco1 ZINC000423343215 387193775 /nfs/dbraw/zinc/19/37/75/387193775.db2.gz ZNTXLHDWEKUHEW-LBPRGKRZSA-N 2 2 234.343 2.758 20 30 BFEDLP C=CCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000515367111 387373411 /nfs/dbraw/zinc/37/34/11/387373411.db2.gz WVQDHVUQIPFIJS-UHFFFAOYSA-N 2 2 233.359 2.945 20 30 BFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442781917 387839492 /nfs/dbraw/zinc/83/94/92/387839492.db2.gz OXTUWYGOVJIDDR-RRFJBIMHSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442781917 387839497 /nfs/dbraw/zinc/83/94/97/387839497.db2.gz OXTUWYGOVJIDDR-RRFJBIMHSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442791015 387840546 /nfs/dbraw/zinc/84/05/46/387840546.db2.gz KDUQARAPTHQNHT-LXTVHRRPSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442791015 387840547 /nfs/dbraw/zinc/84/05/47/387840547.db2.gz KDUQARAPTHQNHT-LXTVHRRPSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423165179 387948687 /nfs/dbraw/zinc/94/86/87/387948687.db2.gz ASAVOBFCEKCJQU-ZIAGYGMSSA-N 2 2 243.354 2.661 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449227925 388159672 /nfs/dbraw/zinc/15/96/72/388159672.db2.gz WQJZIQZFVLVRCH-STQMWFEESA-N 2 2 212.381 2.661 20 30 BFEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@@H+]1C ZINC000449233750 388160354 /nfs/dbraw/zinc/16/03/54/388160354.db2.gz MVIZUFGWKRBFHC-LQULJDIASA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@H+]1C ZINC000449233750 388160356 /nfs/dbraw/zinc/16/03/56/388160356.db2.gz MVIZUFGWKRBFHC-LQULJDIASA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449255932 388163280 /nfs/dbraw/zinc/16/32/80/388163280.db2.gz AZGUDHJFKJFBHF-KBPBESRZSA-N 2 2 247.386 2.922 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449336652 388174768 /nfs/dbraw/zinc/17/47/68/388174768.db2.gz ODAHJOZUVYYBLH-OLZOCXBDSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449336652 388174769 /nfs/dbraw/zinc/17/47/69/388174769.db2.gz ODAHJOZUVYYBLH-OLZOCXBDSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000449064162 388138545 /nfs/dbraw/zinc/13/85/45/388138545.db2.gz SOXNNRVWSKFOJF-ZDUSSCGKSA-N 2 2 221.348 2.608 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000339418572 388482527 /nfs/dbraw/zinc/48/25/27/388482527.db2.gz WJLIGIYPWKZZPP-OLZOCXBDSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000339418572 388482530 /nfs/dbraw/zinc/48/25/30/388482530.db2.gz WJLIGIYPWKZZPP-OLZOCXBDSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000177914206 388524299 /nfs/dbraw/zinc/52/42/99/388524299.db2.gz FMGJKSFOPJDGDI-LBPRGKRZSA-N 2 2 234.343 2.581 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000245979882 388612400 /nfs/dbraw/zinc/61/24/00/388612400.db2.gz XYIBUZLOYHWCSD-LSDHHAIUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000245979882 388612402 /nfs/dbraw/zinc/61/24/02/388612402.db2.gz XYIBUZLOYHWCSD-LSDHHAIUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000552252290 388687105 /nfs/dbraw/zinc/68/71/05/388687105.db2.gz HRHHOHGXFUZOPN-CABCVRRESA-N 2 2 236.403 2.661 20 30 BFEDLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423373527 388691459 /nfs/dbraw/zinc/69/14/59/388691459.db2.gz HDIVNIVXCHZZLF-DOMZBBRYSA-N 2 2 245.370 2.597 20 30 BFEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361466263 134205340 /nfs/dbraw/zinc/20/53/40/134205340.db2.gz OXJCRUWIKNWZIX-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361466263 134205341 /nfs/dbraw/zinc/20/53/41/134205341.db2.gz OXJCRUWIKNWZIX-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(Cl)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290352916 135374683 /nfs/dbraw/zinc/37/46/83/135374683.db2.gz MAJCROZHGMXEFH-UHFFFAOYSA-N 2 2 224.735 2.665 20 30 BFEDLP C=CCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccco1 ZINC000665280350 410753058 /nfs/dbraw/zinc/75/30/58/410753058.db2.gz ZIXRHEULWIBICS-OWYJLGKBSA-N 2 2 246.354 2.629 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000651685278 411135981 /nfs/dbraw/zinc/13/59/81/411135981.db2.gz PBCQSUDRIOJMRX-CABCVRRESA-N 2 2 247.386 2.998 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000651695036 411136669 /nfs/dbraw/zinc/13/66/69/411136669.db2.gz YZNAREFJYHPKCF-KGLIPLIRSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000651695036 411136670 /nfs/dbraw/zinc/13/66/70/411136670.db2.gz YZNAREFJYHPKCF-KGLIPLIRSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000651694504 411136743 /nfs/dbraw/zinc/13/67/43/411136743.db2.gz GHOFBGGVEMMERR-UONOGXRCSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000651694504 411136744 /nfs/dbraw/zinc/13/67/44/411136744.db2.gz GHOFBGGVEMMERR-UONOGXRCSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000651706113 411137184 /nfs/dbraw/zinc/13/71/84/411137184.db2.gz SVCDMIZRRYBPJP-MGPQQGTHSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651706113 411137185 /nfs/dbraw/zinc/13/71/85/411137185.db2.gz SVCDMIZRRYBPJP-MGPQQGTHSA-N 2 2 234.387 2.558 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000651749966 411140863 /nfs/dbraw/zinc/14/08/63/411140863.db2.gz QMLIYSDZSFFCKS-KGLIPLIRSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000651749965 411140934 /nfs/dbraw/zinc/14/09/34/411140934.db2.gz QMLIYSDZSFFCKS-KBPBESRZSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000651779960 411143269 /nfs/dbraw/zinc/14/32/69/411143269.db2.gz WQBDWDURWGHCMU-ZIAGYGMSSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000651779958 411143318 /nfs/dbraw/zinc/14/33/18/411143318.db2.gz WQBDWDURWGHCMU-KGLIPLIRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000656787555 411366303 /nfs/dbraw/zinc/36/63/03/411366303.db2.gz MURMKIKEFWOQPZ-ZIAGYGMSSA-N 2 2 224.392 2.648 20 30 BFEDLP C=CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000656787555 411366307 /nfs/dbraw/zinc/36/63/07/411366307.db2.gz MURMKIKEFWOQPZ-ZIAGYGMSSA-N 2 2 224.392 2.648 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849274 411537245 /nfs/dbraw/zinc/53/72/45/411537245.db2.gz RSZIGMLWPPMTCW-SOUVJXGZSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849274 411537246 /nfs/dbraw/zinc/53/72/46/411537246.db2.gz RSZIGMLWPPMTCW-SOUVJXGZSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000651676357 487815213 /nfs/dbraw/zinc/81/52/13/487815213.db2.gz XGESINKKYREFQD-MCIONIFRSA-N 2 2 233.359 2.606 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309779116 323082727 /nfs/dbraw/zinc/08/27/27/323082727.db2.gz QNTNMJOJRIIGPS-HZSPNIEDSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309779116 323082728 /nfs/dbraw/zinc/08/27/28/323082728.db2.gz QNTNMJOJRIIGPS-HZSPNIEDSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000126748847 323174005 /nfs/dbraw/zinc/17/40/05/323174005.db2.gz NFWYREOMCWYWCZ-KGLIPLIRSA-N 2 2 226.408 2.907 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309779125 326167634 /nfs/dbraw/zinc/16/76/34/326167634.db2.gz QNTNMJOJRIIGPS-RDBSUJKOSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309779125 326167636 /nfs/dbraw/zinc/16/76/36/326167636.db2.gz QNTNMJOJRIIGPS-RDBSUJKOSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336731329 534359003 /nfs/dbraw/zinc/35/90/03/534359003.db2.gz FFBBICWODMOACL-IGQOVBAYSA-N 2 2 224.392 2.659 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336731329 534359010 /nfs/dbraw/zinc/35/90/10/534359010.db2.gz FFBBICWODMOACL-IGQOVBAYSA-N 2 2 224.392 2.659 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336731330 534359247 /nfs/dbraw/zinc/35/92/47/534359247.db2.gz FFBBICWODMOACL-XDQVBPFNSA-N 2 2 224.392 2.659 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336731330 534359252 /nfs/dbraw/zinc/35/92/52/534359252.db2.gz FFBBICWODMOACL-XDQVBPFNSA-N 2 2 224.392 2.659 20 30 BFEDLP C=C(CC)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000358837735 534385278 /nfs/dbraw/zinc/38/52/78/534385278.db2.gz YYQOINNPSUJVQA-AWEZNQCLSA-N 2 2 247.386 2.641 20 30 BFEDLP C=C(CC)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000358837735 534385288 /nfs/dbraw/zinc/38/52/88/534385288.db2.gz YYQOINNPSUJVQA-AWEZNQCLSA-N 2 2 247.386 2.641 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000340429689 534553272 /nfs/dbraw/zinc/55/32/72/534553272.db2.gz MDZCVHYMLIVXKI-TZMCWYRMSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000340429689 534553273 /nfs/dbraw/zinc/55/32/73/534553273.db2.gz MDZCVHYMLIVXKI-TZMCWYRMSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367861748 534718540 /nfs/dbraw/zinc/71/85/40/534718540.db2.gz CQWOGKLMGBGQJY-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367861748 534718546 /nfs/dbraw/zinc/71/85/46/534718546.db2.gz CQWOGKLMGBGQJY-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290444522 534887334 /nfs/dbraw/zinc/88/73/34/534887334.db2.gz SMEIYVDBPYABHW-CYBMUJFWSA-N 2 2 218.344 2.877 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000487290034 526455288 /nfs/dbraw/zinc/45/52/88/526455288.db2.gz RAZDGYPVDCFCQY-TZMCWYRMSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC(C)(C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000898458139 584137320 /nfs/dbraw/zinc/13/73/20/584137320.db2.gz XIMXENOSUYNTJD-UHFFFAOYSA-N 2 2 229.327 2.697 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435821 584596445 /nfs/dbraw/zinc/59/64/45/584596445.db2.gz VLQHVGWBZFOIOL-KCPJHIHWSA-N 2 2 230.355 2.555 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903299389 584743365 /nfs/dbraw/zinc/74/33/65/584743365.db2.gz ARXHNAXFSZXVPU-IHRRRGAJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903299389 584743366 /nfs/dbraw/zinc/74/33/66/584743366.db2.gz ARXHNAXFSZXVPU-IHRRRGAJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301134 584744772 /nfs/dbraw/zinc/74/47/72/584744772.db2.gz NNORASAZUPZIOS-HZSPNIEDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301134 584744773 /nfs/dbraw/zinc/74/47/73/584744773.db2.gz NNORASAZUPZIOS-HZSPNIEDSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329548 585833534 /nfs/dbraw/zinc/83/35/34/585833534.db2.gz JSADKEJAIPZBTO-HNNXBMFYSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329548 585833535 /nfs/dbraw/zinc/83/35/35/585833535.db2.gz JSADKEJAIPZBTO-HNNXBMFYSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCCCCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000793515710 586021330 /nfs/dbraw/zinc/02/13/30/586021330.db2.gz IUVBOXHWVDNMDH-AWEZNQCLSA-N 2 2 235.375 2.998 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000845952603 588251587 /nfs/dbraw/zinc/25/15/87/588251587.db2.gz RSLUFRPBRHARBJ-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000845952603 588251588 /nfs/dbraw/zinc/25/15/88/588251588.db2.gz RSLUFRPBRHARBJ-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000877095418 590282156 /nfs/dbraw/zinc/28/21/56/590282156.db2.gz YBRLGYBZFPVDMS-GJZGRUSLSA-N 2 2 248.414 2.785 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000877095418 590282157 /nfs/dbraw/zinc/28/21/57/590282157.db2.gz YBRLGYBZFPVDMS-GJZGRUSLSA-N 2 2 248.414 2.785 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519013 590585871 /nfs/dbraw/zinc/58/58/71/590585871.db2.gz YPTRJJSIYIHZGQ-STQMWFEESA-N 2 2 233.359 2.564 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519013 590585872 /nfs/dbraw/zinc/58/58/72/590585872.db2.gz YPTRJJSIYIHZGQ-STQMWFEESA-N 2 2 233.359 2.564 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000878569105 590593197 /nfs/dbraw/zinc/59/31/97/590593197.db2.gz MRQUEIAUNDODDZ-CWRNSKLLSA-N 2 2 244.382 2.986 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000878569105 590593199 /nfs/dbraw/zinc/59/31/99/590593199.db2.gz MRQUEIAUNDODDZ-CWRNSKLLSA-N 2 2 244.382 2.986 20 30 BFEDLP C=CCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880142893 590941435 /nfs/dbraw/zinc/94/14/35/590941435.db2.gz VSQCUGXIFWXMTC-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880142893 590941439 /nfs/dbraw/zinc/94/14/39/590941439.db2.gz VSQCUGXIFWXMTC-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880142893 590941441 /nfs/dbraw/zinc/94/14/41/590941441.db2.gz VSQCUGXIFWXMTC-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880142893 590941445 /nfs/dbraw/zinc/94/14/45/590941445.db2.gz VSQCUGXIFWXMTC-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000883433262 591664967 /nfs/dbraw/zinc/66/49/67/591664967.db2.gz MFGHZQJUOOCFJF-OSAQELSMSA-N 2 2 248.345 2.517 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000883433262 591664970 /nfs/dbraw/zinc/66/49/70/591664970.db2.gz MFGHZQJUOOCFJF-OSAQELSMSA-N 2 2 248.345 2.517 20 30 BFEDLP C#CC[C@@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000886365794 592220209 /nfs/dbraw/zinc/22/02/09/592220209.db2.gz PLCOLYILLMHDHP-CVEARBPZSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000886365794 592220212 /nfs/dbraw/zinc/22/02/12/592220212.db2.gz PLCOLYILLMHDHP-CVEARBPZSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365794 592220213 /nfs/dbraw/zinc/22/02/13/592220213.db2.gz PLCOLYILLMHDHP-CVEARBPZSA-N 2 2 248.414 2.595 20 30 BFEDLP C#CC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000886365794 592220215 /nfs/dbraw/zinc/22/02/15/592220215.db2.gz PLCOLYILLMHDHP-CVEARBPZSA-N 2 2 248.414 2.595 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216542 979454585 /nfs/dbraw/zinc/45/45/85/979454585.db2.gz QYBMPKZVQQNQKI-AWEZNQCLSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216542 979454597 /nfs/dbraw/zinc/45/45/97/979454597.db2.gz QYBMPKZVQQNQKI-AWEZNQCLSA-N 2 2 222.376 2.559 20 30 BFEDLP CCCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192352 972401618 /nfs/dbraw/zinc/40/16/18/972401618.db2.gz VTNKJJYJUXGWLO-CQSZACIVSA-N 2 2 224.392 2.785 20 30 BFEDLP CCCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192352 972401626 /nfs/dbraw/zinc/40/16/26/972401626.db2.gz VTNKJJYJUXGWLO-CQSZACIVSA-N 2 2 224.392 2.785 20 30 BFEDLP C=CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209166277 969369791 /nfs/dbraw/zinc/36/97/91/969369791.db2.gz YJANTQXKYPKVGV-CQSZACIVSA-N 2 2 246.354 2.809 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209166277 969369796 /nfs/dbraw/zinc/36/97/96/969369796.db2.gz YJANTQXKYPKVGV-CQSZACIVSA-N 2 2 246.354 2.809 20 30 BFEDLP C=CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209207210 969393184 /nfs/dbraw/zinc/39/31/84/969393184.db2.gz OMHMOGFVDZHHKR-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209207210 969393188 /nfs/dbraw/zinc/39/31/88/969393188.db2.gz OMHMOGFVDZHHKR-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209207210 969393191 /nfs/dbraw/zinc/39/31/91/969393191.db2.gz OMHMOGFVDZHHKR-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C#CCCC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209268747 969417877 /nfs/dbraw/zinc/41/78/77/969417877.db2.gz PUPTYSOBDUGBPA-UHFFFAOYSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209268747 969417880 /nfs/dbraw/zinc/41/78/80/969417880.db2.gz PUPTYSOBDUGBPA-UHFFFAOYSA-N 2 2 248.414 2.739 20 30 BFEDLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254650904 969763226 /nfs/dbraw/zinc/76/32/26/969763226.db2.gz YXERSJXTYNHBEG-MCIONIFRSA-N 2 2 249.402 2.531 20 30 BFEDLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254650904 969763230 /nfs/dbraw/zinc/76/32/30/969763230.db2.gz YXERSJXTYNHBEG-MCIONIFRSA-N 2 2 249.402 2.531 20 30 BFEDLP C#CC1([NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC001256074088 970642150 /nfs/dbraw/zinc/64/21/50/970642150.db2.gz KZBQIWDVHAQMBN-UHFFFAOYSA-N 2 2 246.398 2.539 20 30 BFEDLP C=CCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036834 978957475 /nfs/dbraw/zinc/95/74/75/978957475.db2.gz BVHMHQIFFDUMDZ-LSDHHAIUSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036834 978957478 /nfs/dbraw/zinc/95/74/78/978957478.db2.gz BVHMHQIFFDUMDZ-LSDHHAIUSA-N 2 2 236.403 2.949 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001235703510 979129251 /nfs/dbraw/zinc/12/92/51/979129251.db2.gz WWLBEGQTODQYMZ-INIZCTEOSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001235703510 979129255 /nfs/dbraw/zinc/12/92/55/979129255.db2.gz WWLBEGQTODQYMZ-INIZCTEOSA-N 2 2 244.382 2.817 20 30 BFEDLP CCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201797948 983478842 /nfs/dbraw/zinc/47/88/42/983478842.db2.gz IDGYFXSFPTTXLB-GJZGRUSLSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201797948 983478846 /nfs/dbraw/zinc/47/88/46/983478846.db2.gz IDGYFXSFPTTXLB-GJZGRUSLSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201797948 983478850 /nfs/dbraw/zinc/47/88/50/983478850.db2.gz IDGYFXSFPTTXLB-GJZGRUSLSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201797948 983478854 /nfs/dbraw/zinc/47/88/54/983478854.db2.gz IDGYFXSFPTTXLB-GJZGRUSLSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612889 988243384 /nfs/dbraw/zinc/24/33/84/988243384.db2.gz ISYVCURWSYDTAD-ZDUSSCGKSA-N 2 2 224.392 2.641 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258723494 991658423 /nfs/dbraw/zinc/65/84/23/991658423.db2.gz WKPPYDXBQFEIHO-OLZOCXBDSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258723494 991658426 /nfs/dbraw/zinc/65/84/26/991658426.db2.gz WKPPYDXBQFEIHO-OLZOCXBDSA-N 2 2 222.376 2.558 20 30 BFEDLP C=CCC[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258732091 991677329 /nfs/dbraw/zinc/67/73/29/991677329.db2.gz IXTOQMVQGHCXJC-CHWSQXEVSA-N 2 2 233.359 2.877 20 30 BFEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@](C)(C#N)CC ZINC001258900291 991895634 /nfs/dbraw/zinc/89/56/34/991895634.db2.gz HWZUJNGGXXVRTJ-UONOGXRCSA-N 2 2 239.407 2.779 20 30 BFEDLP C[C@@H](CCC#N)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000602452198 349552690 /nfs/dbraw/zinc/55/26/90/349552690.db2.gz HMZLLMKZPGCECF-LBPRGKRZSA-N 2 2 246.358 2.529 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103065 344594793 /nfs/dbraw/zinc/59/47/93/344594793.db2.gz RWCAEGJGBWOUOX-STQMWFEESA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103065 344594794 /nfs/dbraw/zinc/59/47/94/344594794.db2.gz RWCAEGJGBWOUOX-STQMWFEESA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000583451518 344999268 /nfs/dbraw/zinc/99/92/68/344999268.db2.gz XOLWWRUTYNRWSJ-UKRRQHHQSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000583451518 344999269 /nfs/dbraw/zinc/99/92/69/344999269.db2.gz XOLWWRUTYNRWSJ-UKRRQHHQSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580208690 346673534 /nfs/dbraw/zinc/67/35/34/346673534.db2.gz JWRUPXFCFMJYKW-CYBMUJFWSA-N 2 2 233.359 2.566 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580208690 346673538 /nfs/dbraw/zinc/67/35/38/346673538.db2.gz JWRUPXFCFMJYKW-CYBMUJFWSA-N 2 2 233.359 2.566 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000310583244 347295119 /nfs/dbraw/zinc/29/51/19/347295119.db2.gz SJEIDAFUKWMZHV-OLZOCXBDSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000310583244 347295123 /nfs/dbraw/zinc/29/51/23/347295123.db2.gz SJEIDAFUKWMZHV-OLZOCXBDSA-N 2 2 236.403 2.804 20 30 BFEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000595092043 348191876 /nfs/dbraw/zinc/19/18/76/348191876.db2.gz VMJAWFIBQFPAJS-ZIAGYGMSSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1C ZINC000595092043 348191880 /nfs/dbraw/zinc/19/18/80/348191880.db2.gz VMJAWFIBQFPAJS-ZIAGYGMSSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC(C)(C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623592902 363027513 /nfs/dbraw/zinc/02/75/13/363027513.db2.gz IDZTVIXXOOECOL-UHFFFAOYSA-N 2 2 233.359 2.521 20 30 BFEDLP CC[C@@H](CC#N)[NH2+]CCCc1c[nH+]ccc1C ZINC000289913717 352202309 /nfs/dbraw/zinc/20/23/09/352202309.db2.gz YBVUINLHUJNKKS-AWEZNQCLSA-N 2 2 231.343 2.605 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000336746118 352737195 /nfs/dbraw/zinc/73/71/95/352737195.db2.gz RAGUFOQABKZSTG-CQSZACIVSA-N 2 2 222.376 2.583 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000336746118 352737199 /nfs/dbraw/zinc/73/71/99/352737199.db2.gz RAGUFOQABKZSTG-CQSZACIVSA-N 2 2 222.376 2.583 20 30 BFEDLP C=C1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289441547 353629051 /nfs/dbraw/zinc/62/90/51/353629051.db2.gz WNXLUKFBROZBBL-UHFFFAOYSA-N 2 2 230.355 2.975 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289453498 353629681 /nfs/dbraw/zinc/62/96/81/353629681.db2.gz VDCCOLTUJNYPFV-HZPDHXFCSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289453498 353629683 /nfs/dbraw/zinc/62/96/83/353629683.db2.gz VDCCOLTUJNYPFV-HZPDHXFCSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289333107 353613519 /nfs/dbraw/zinc/61/35/19/353613519.db2.gz DVQUMDCJACLTAY-JKSUJKDBSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289333107 353613522 /nfs/dbraw/zinc/61/35/22/353613522.db2.gz DVQUMDCJACLTAY-JKSUJKDBSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000582435939 357153462 /nfs/dbraw/zinc/15/34/62/357153462.db2.gz YVAUGSHIMDQORZ-GFCCVEGCSA-N 2 2 233.359 2.664 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362863795 134214615 /nfs/dbraw/zinc/21/46/15/134214615.db2.gz MAMRECUMJGBABL-LBPRGKRZSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362863795 134214616 /nfs/dbraw/zinc/21/46/16/134214616.db2.gz MAMRECUMJGBABL-LBPRGKRZSA-N 2 2 219.332 2.555 20 30 BFEDLP CCC#C[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984380 358026296 /nfs/dbraw/zinc/02/62/96/358026296.db2.gz UMHQBYKXYQALFN-OAHLLOKOSA-N 2 2 248.414 2.739 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000177913369 134301768 /nfs/dbraw/zinc/30/17/68/134301768.db2.gz YLAILUWISGGFRR-ZDUSSCGKSA-N 2 2 248.370 2.889 20 30 BFEDLP C=CC[N@@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000430084542 201142224 /nfs/dbraw/zinc/14/22/24/201142224.db2.gz JZCCXDKDEICSAT-UHFFFAOYSA-N 2 2 243.354 2.724 20 30 BFEDLP C=CC[N@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000430084542 201142228 /nfs/dbraw/zinc/14/22/28/201142228.db2.gz JZCCXDKDEICSAT-UHFFFAOYSA-N 2 2 243.354 2.724 20 30 BFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000183836254 367051974 /nfs/dbraw/zinc/05/19/74/367051974.db2.gz XVVBRFZWEPDRKA-CYBMUJFWSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C(C)C)CC1 ZINC000167402406 206144875 /nfs/dbraw/zinc/14/48/75/206144875.db2.gz UDCLYYZDTVJKPK-CQSZACIVSA-N 2 2 224.392 2.661 20 30 BFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151147071 384547451 /nfs/dbraw/zinc/54/74/51/384547451.db2.gz MMOPNBIVDHUFAK-CYBMUJFWSA-N 2 2 242.794 2.689 20 30 BFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151147071 384547456 /nfs/dbraw/zinc/54/74/56/384547456.db2.gz MMOPNBIVDHUFAK-CYBMUJFWSA-N 2 2 242.794 2.689 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309978297 384758902 /nfs/dbraw/zinc/75/89/02/384758902.db2.gz UYRNMUILFUAPDJ-RDBSUJKOSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309978297 384758906 /nfs/dbraw/zinc/75/89/06/384758906.db2.gz UYRNMUILFUAPDJ-RDBSUJKOSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC(C)(C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449483828 385183337 /nfs/dbraw/zinc/18/33/37/385183337.db2.gz CNSGBVUELSYZGW-UHFFFAOYSA-N 2 2 243.354 2.945 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2C[C@H]2C)CC1 ZINC000414131651 385978894 /nfs/dbraw/zinc/97/88/94/385978894.db2.gz YBDOBVOGJILAEY-BPLDGKMQSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)CC1 ZINC000414131652 385979297 /nfs/dbraw/zinc/97/92/97/385979297.db2.gz YBDOBVOGJILAEY-NWANDNLSSA-N 2 2 236.403 2.661 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347107243 386252195 /nfs/dbraw/zinc/25/21/95/386252195.db2.gz VCNALPKRROAORR-CQSZACIVSA-N 2 2 232.327 2.501 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347107243 386252211 /nfs/dbraw/zinc/25/22/11/386252211.db2.gz VCNALPKRROAORR-CQSZACIVSA-N 2 2 232.327 2.501 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccco1 ZINC000423468510 387318079 /nfs/dbraw/zinc/31/80/79/387318079.db2.gz OKPBHEQEICXQSA-WOPDTQHZSA-N 2 2 222.332 2.612 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000648432407 387842305 /nfs/dbraw/zinc/84/23/05/387842305.db2.gz GQSIMXBHBNKJGT-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000648432407 387842310 /nfs/dbraw/zinc/84/23/10/387842310.db2.gz GQSIMXBHBNKJGT-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449336653 388174776 /nfs/dbraw/zinc/17/47/76/388174776.db2.gz ODAHJOZUVYYBLH-QWHCGFSZSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449336653 388174777 /nfs/dbraw/zinc/17/47/77/388174777.db2.gz ODAHJOZUVYYBLH-QWHCGFSZSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000449072315 388138831 /nfs/dbraw/zinc/13/88/31/388138831.db2.gz FALBKFBAUFYRET-UONOGXRCSA-N 2 2 235.375 2.996 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000339418574 388482815 /nfs/dbraw/zinc/48/28/15/388482815.db2.gz WJLIGIYPWKZZPP-STQMWFEESA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000339418574 388482817 /nfs/dbraw/zinc/48/28/17/388482817.db2.gz WJLIGIYPWKZZPP-STQMWFEESA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000177914219 388524726 /nfs/dbraw/zinc/52/47/26/388524726.db2.gz FMGJKSFOPJDGDI-GFCCVEGCSA-N 2 2 234.343 2.581 20 30 BFEDLP C=CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361045751 134202671 /nfs/dbraw/zinc/20/26/71/134202671.db2.gz MOFMDHZEIRSVFQ-UHFFFAOYSA-N 2 2 233.359 2.561 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000367995927 134216930 /nfs/dbraw/zinc/21/69/30/134216930.db2.gz OHXCKEUBFBCEIR-STQMWFEESA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000367995927 134216931 /nfs/dbraw/zinc/21/69/31/134216931.db2.gz OHXCKEUBFBCEIR-STQMWFEESA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103063 134217213 /nfs/dbraw/zinc/21/72/13/134217213.db2.gz RWCAEGJGBWOUOX-OLZOCXBDSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103063 134217214 /nfs/dbraw/zinc/21/72/14/134217214.db2.gz RWCAEGJGBWOUOX-OLZOCXBDSA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378058277 134245490 /nfs/dbraw/zinc/24/54/90/134245490.db2.gz LKXBQXNFKHLRTP-UHFFFAOYSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000177913355 134301497 /nfs/dbraw/zinc/30/14/97/134301497.db2.gz YLAILUWISGGFRR-CYBMUJFWSA-N 2 2 248.370 2.889 20 30 BFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185828104 134391557 /nfs/dbraw/zinc/39/15/57/134391557.db2.gz ZIRKMFRXZVIPSS-ZNMIVQPWSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185828104 134391558 /nfs/dbraw/zinc/39/15/58/134391558.db2.gz ZIRKMFRXZVIPSS-ZNMIVQPWSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000279051054 166241498 /nfs/dbraw/zinc/24/14/98/166241498.db2.gz DMFDJHLCGAIGKX-UHFFFAOYSA-N 2 2 241.338 2.928 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000177910313 166353992 /nfs/dbraw/zinc/35/39/92/166353992.db2.gz SRNPOKSFFBZQGC-LBPRGKRZSA-N 2 2 234.343 2.581 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000651667570 411133471 /nfs/dbraw/zinc/13/34/71/411133471.db2.gz HWTSFLQOSFEYHW-CHWSQXEVSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000651667573 411133860 /nfs/dbraw/zinc/13/38/60/411133860.db2.gz HWTSFLQOSFEYHW-STQMWFEESA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000651735305 411139944 /nfs/dbraw/zinc/13/99/44/411139944.db2.gz MEGMICLNHPSBBG-KBXIAJHMSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000651735305 411139945 /nfs/dbraw/zinc/13/99/45/411139945.db2.gz MEGMICLNHPSBBG-KBXIAJHMSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000651749676 411140673 /nfs/dbraw/zinc/14/06/73/411140673.db2.gz FPMAHXQVPQEZDF-LSDHHAIUSA-N 2 2 236.403 2.807 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657529858 411544369 /nfs/dbraw/zinc/54/43/69/411544369.db2.gz JNNXNUYLVJIHLC-ZFWWWQNUSA-N 2 2 247.386 2.953 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000657871031 411613804 /nfs/dbraw/zinc/61/38/04/411613804.db2.gz IIRJNZVIQMVTBZ-MJBXVCDLSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000661380088 411761768 /nfs/dbraw/zinc/76/17/68/411761768.db2.gz DXOQFQLEUHWHMC-AWEZNQCLSA-N 2 2 233.359 2.561 20 30 BFEDLP C=CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000661380088 411761771 /nfs/dbraw/zinc/76/17/71/411761771.db2.gz DXOQFQLEUHWHMC-AWEZNQCLSA-N 2 2 233.359 2.561 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000121605446 324018452 /nfs/dbraw/zinc/01/84/52/324018452.db2.gz UYPWFPJPQLVBHE-XPKDYRNWSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000121605446 324018454 /nfs/dbraw/zinc/01/84/54/324018454.db2.gz UYPWFPJPQLVBHE-XPKDYRNWSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CC)CC1 ZINC000568462480 326356716 /nfs/dbraw/zinc/35/67/16/326356716.db2.gz ZGNDMEFLYDLVOR-ZFWWWQNUSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389864322 488120925 /nfs/dbraw/zinc/12/09/25/488120925.db2.gz JWZVFJIOVZLLKJ-ZBFHGGJFSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389864322 488120927 /nfs/dbraw/zinc/12/09/27/488120927.db2.gz JWZVFJIOVZLLKJ-ZBFHGGJFSA-N 2 2 244.382 2.673 20 30 BFEDLP C=C(CC)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000358628130 534386155 /nfs/dbraw/zinc/38/61/55/534386155.db2.gz JPIKRDCWNPKXRD-GFCCVEGCSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C(CC)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000358628130 534386161 /nfs/dbraw/zinc/38/61/61/534386161.db2.gz JPIKRDCWNPKXRD-GFCCVEGCSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CCC1(C[NH2+]Cc2c[nH+]c[nH]2)CCCC1 ZINC000894916332 583555797 /nfs/dbraw/zinc/55/57/97/583555797.db2.gz FOIYFZYUVKFLEF-UHFFFAOYSA-N 2 2 219.332 2.636 20 30 BFEDLP C=CC(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000898461052 584137912 /nfs/dbraw/zinc/13/79/12/584137912.db2.gz YXFYOBOWRIAWLD-UHFFFAOYSA-N 2 2 247.367 2.988 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902796276 584673760 /nfs/dbraw/zinc/67/37/60/584673760.db2.gz OOIHMKXVKLHMMI-MIFYACCESA-N 2 2 248.414 2.805 20 30 BFEDLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1cccc(C#N)c1 ZINC000903950677 584830961 /nfs/dbraw/zinc/83/09/61/584830961.db2.gz QQBBSJISKSELQS-LBPRGKRZSA-N 2 2 245.370 2.597 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000747870323 585184974 /nfs/dbraw/zinc/18/49/74/585184974.db2.gz RPRMCWLJZAZUJY-HIFRSBDPSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000747870323 585184975 /nfs/dbraw/zinc/18/49/75/585184975.db2.gz RPRMCWLJZAZUJY-HIFRSBDPSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000829292347 587491639 /nfs/dbraw/zinc/49/16/39/587491639.db2.gz TVMGMUVUTCMVCN-AWEZNQCLSA-N 2 2 247.386 2.956 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000829292347 587491640 /nfs/dbraw/zinc/49/16/40/587491640.db2.gz TVMGMUVUTCMVCN-AWEZNQCLSA-N 2 2 247.386 2.956 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000845952604 588251495 /nfs/dbraw/zinc/25/14/95/588251495.db2.gz RSLUFRPBRHARBJ-RRFJBIMHSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000845952604 588251496 /nfs/dbraw/zinc/25/14/96/588251496.db2.gz RSLUFRPBRHARBJ-RRFJBIMHSA-N 2 2 236.403 2.805 20 30 BFEDLP C#CC[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000862445543 589214864 /nfs/dbraw/zinc/21/48/64/589214864.db2.gz WTFHCVOPMFRGTE-MRXNPFEDSA-N 2 2 242.366 2.668 20 30 BFEDLP C#CC[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000862445543 589214866 /nfs/dbraw/zinc/21/48/66/589214866.db2.gz WTFHCVOPMFRGTE-MRXNPFEDSA-N 2 2 242.366 2.668 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000872102136 589869758 /nfs/dbraw/zinc/86/97/58/589869758.db2.gz PGDKPUMMBSJVGX-STQMWFEESA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000872102136 589869759 /nfs/dbraw/zinc/86/97/59/589869759.db2.gz PGDKPUMMBSJVGX-STQMWFEESA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873293774 590023151 /nfs/dbraw/zinc/02/31/51/590023151.db2.gz NXNZWBXNPZAJEG-BBRMVZONSA-N 2 2 244.382 2.645 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000877024426 590270345 /nfs/dbraw/zinc/27/03/45/590270345.db2.gz DHPXPWPZAVOEFZ-INIZCTEOSA-N 2 2 248.414 2.644 20 30 BFEDLP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000877024426 590270347 /nfs/dbraw/zinc/27/03/47/590270347.db2.gz DHPXPWPZAVOEFZ-INIZCTEOSA-N 2 2 248.414 2.644 20 30 BFEDLP C#CCCCCCC[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000877023886 590270653 /nfs/dbraw/zinc/27/06/53/590270653.db2.gz IXWOYQWNUMVBMH-AWEZNQCLSA-N 2 2 236.403 2.642 20 30 BFEDLP C#CCCCCCC[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000877023886 590270654 /nfs/dbraw/zinc/27/06/54/590270654.db2.gz IXWOYQWNUMVBMH-AWEZNQCLSA-N 2 2 236.403 2.642 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036718 590477467 /nfs/dbraw/zinc/47/74/67/590477467.db2.gz PZQLAMBDBYYVKB-INIZCTEOSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036718 590477468 /nfs/dbraw/zinc/47/74/68/590477468.db2.gz PZQLAMBDBYYVKB-INIZCTEOSA-N 2 2 248.414 2.740 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252856 590529843 /nfs/dbraw/zinc/52/98/43/590529843.db2.gz XBXZOANFEVODFW-NEPJUHHUSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252856 590529845 /nfs/dbraw/zinc/52/98/45/590529845.db2.gz XBXZOANFEVODFW-NEPJUHHUSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519012 590585209 /nfs/dbraw/zinc/58/52/09/590585209.db2.gz YPTRJJSIYIHZGQ-QWHCGFSZSA-N 2 2 233.359 2.564 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519012 590585211 /nfs/dbraw/zinc/58/52/11/590585211.db2.gz YPTRJJSIYIHZGQ-QWHCGFSZSA-N 2 2 233.359 2.564 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882987864 591494725 /nfs/dbraw/zinc/49/47/25/591494725.db2.gz RLPBOFSHZHVEMR-MIFYACCESA-N 2 2 248.414 2.805 20 30 BFEDLP C[C@H](CCCC#N)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172502958 974856728 /nfs/dbraw/zinc/85/67/28/974856728.db2.gz XOSXXETVIZSKJA-CHWSQXEVSA-N 2 2 246.358 2.605 20 30 BFEDLP CC[C@H](C#N)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173107633 975026537 /nfs/dbraw/zinc/02/65/37/975026537.db2.gz ZXHOXKCYMCXOKO-IYXRBSQSSA-N 2 2 237.391 2.531 20 30 BFEDLP C#Cc1cc(Nc2cc[nH+]c3ccccc23)cc[nH+]1 ZINC001174036887 976242167 /nfs/dbraw/zinc/24/21/67/976242167.db2.gz HUONAVUWNXYQMC-UHFFFAOYSA-N 2 2 245.285 2.777 20 30 BFEDLP CCC[N@H+](CCC#N)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014358 977846537 /nfs/dbraw/zinc/84/65/37/977846537.db2.gz OISZEAPJAINEOY-UHFFFAOYSA-N 2 2 242.326 2.689 20 30 BFEDLP CCC[N@@H+](CCC#N)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014358 977846541 /nfs/dbraw/zinc/84/65/41/977846541.db2.gz OISZEAPJAINEOY-UHFFFAOYSA-N 2 2 242.326 2.689 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235025497 978956697 /nfs/dbraw/zinc/95/66/97/978956697.db2.gz CVOZLJRPOOTOQP-OWCLPIDISA-N 2 2 246.398 2.583 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235025497 978956702 /nfs/dbraw/zinc/95/67/02/978956702.db2.gz CVOZLJRPOOTOQP-OWCLPIDISA-N 2 2 246.398 2.583 20 30 BFEDLP C=CCC[C@@H](C)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001258733275 986086578 /nfs/dbraw/zinc/08/65/78/986086578.db2.gz YLYPEYNLRUOTSW-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@@H](C)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001258733275 986086592 /nfs/dbraw/zinc/08/65/92/986086592.db2.gz YLYPEYNLRUOTSW-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@@H](C)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001258733275 986086612 /nfs/dbraw/zinc/08/66/12/986086612.db2.gz YLYPEYNLRUOTSW-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@@H](C)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001258733275 986086634 /nfs/dbraw/zinc/08/66/34/986086634.db2.gz YLYPEYNLRUOTSW-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP CCCCCCC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612887 988245116 /nfs/dbraw/zinc/24/51/16/988245116.db2.gz ISYVCURWSYDTAD-CYBMUJFWSA-N 2 2 224.392 2.641 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309727759 347146878 /nfs/dbraw/zinc/14/68/78/347146878.db2.gz YNCHZVBHQPHNBV-ZDUSSCGKSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309727757 347146944 /nfs/dbraw/zinc/14/69/44/347146944.db2.gz YNCHZVBHQPHNBV-CYBMUJFWSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427859508 191096398 /nfs/dbraw/zinc/09/63/98/191096398.db2.gz WDZDLJATXLZBDZ-QWHCGFSZSA-N 2 2 233.359 2.532 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427892029 191099881 /nfs/dbraw/zinc/09/98/81/191099881.db2.gz MKHBAYXEDVAEJV-KBPBESRZSA-N 2 2 247.386 2.922 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000359334492 323353953 /nfs/dbraw/zinc/35/39/53/323353953.db2.gz CMJUKABLLCDIRU-KGLIPLIRSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000359334492 323353957 /nfs/dbraw/zinc/35/39/57/323353957.db2.gz CMJUKABLLCDIRU-KGLIPLIRSA-N 2 2 236.403 2.948 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000274796724 188092685 /nfs/dbraw/zinc/09/26/85/188092685.db2.gz DHOJJVYPJQFDBP-UONOGXRCSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000274796724 188092686 /nfs/dbraw/zinc/09/26/86/188092686.db2.gz DHOJJVYPJQFDBP-UONOGXRCSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000163341888 353348429 /nfs/dbraw/zinc/34/84/29/353348429.db2.gz QIGJNEYUQPDDFJ-ZDUSSCGKSA-N 2 2 245.370 2.605 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000344340216 354236163 /nfs/dbraw/zinc/23/61/63/354236163.db2.gz XZGLLVVVKBQHKI-KCQAQPDRSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000344340216 354236167 /nfs/dbraw/zinc/23/61/67/354236167.db2.gz XZGLLVVVKBQHKI-KCQAQPDRSA-N 2 2 236.403 2.804 20 30 BFEDLP C=C(C)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000351738171 356076661 /nfs/dbraw/zinc/07/66/61/356076661.db2.gz VUTZAKBOZDAIIB-UHFFFAOYSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358259898 134187342 /nfs/dbraw/zinc/18/73/42/134187342.db2.gz VDZALYGUBIXRON-HUUCEWRRSA-N 2 2 236.403 2.829 20 30 BFEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358259898 134187343 /nfs/dbraw/zinc/18/73/43/134187343.db2.gz VDZALYGUBIXRON-HUUCEWRRSA-N 2 2 236.403 2.829 20 30 BFEDLP C=CC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987379 358027164 /nfs/dbraw/zinc/02/71/64/358027164.db2.gz CNHPRRGKQXQKNC-UHFFFAOYSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000172178931 134262682 /nfs/dbraw/zinc/26/26/82/134262682.db2.gz GIPBIPDTMKMDGD-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000172178931 134262683 /nfs/dbraw/zinc/26/26/83/134262683.db2.gz GIPBIPDTMKMDGD-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000132783837 358736161 /nfs/dbraw/zinc/73/61/61/358736161.db2.gz HHAYKRLNMWTXCP-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000132783837 358736163 /nfs/dbraw/zinc/73/61/63/358736163.db2.gz HHAYKRLNMWTXCP-AWEZNQCLSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309629567 358949765 /nfs/dbraw/zinc/94/97/65/358949765.db2.gz GQQPSXVYGXPCJG-ZIAGYGMSSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309629567 358949770 /nfs/dbraw/zinc/94/97/70/358949770.db2.gz GQQPSXVYGXPCJG-ZIAGYGMSSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000578720598 366630991 /nfs/dbraw/zinc/63/09/91/366630991.db2.gz DCIQBJVVEIXNPC-DZGCQCFKSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000578720598 366630994 /nfs/dbraw/zinc/63/09/94/366630994.db2.gz DCIQBJVVEIXNPC-DZGCQCFKSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000631222354 372245452 /nfs/dbraw/zinc/24/54/52/372245452.db2.gz WKSDQHRIBFPPJV-CHWSQXEVSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCCC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000631222354 372245462 /nfs/dbraw/zinc/24/54/62/372245462.db2.gz WKSDQHRIBFPPJV-CHWSQXEVSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000116926469 383950738 /nfs/dbraw/zinc/95/07/38/383950738.db2.gz OGALMOSCYJZLIG-CYBMUJFWSA-N 2 2 241.338 2.927 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000153014000 384139091 /nfs/dbraw/zinc/13/90/91/384139091.db2.gz WIEBXXPBEWBTDY-CYBMUJFWSA-N 2 2 248.370 2.971 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@H]2C[C@H]2C)CC1 ZINC000414131653 385978881 /nfs/dbraw/zinc/97/88/81/385978881.db2.gz YBDOBVOGJILAEY-VHDGCEQUSA-N 2 2 236.403 2.661 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccoc2C)CC1 ZINC000414340565 386131674 /nfs/dbraw/zinc/13/16/74/386131674.db2.gz UQWCRPNXFIGEQH-UHFFFAOYSA-N 2 2 248.370 2.718 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417350674 386490981 /nfs/dbraw/zinc/49/09/81/386490981.db2.gz AXORRASHDNPVOV-CYBMUJFWSA-N 2 2 224.392 2.805 20 30 BFEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000442712331 386528347 /nfs/dbraw/zinc/52/83/47/386528347.db2.gz GEZGBEKLSRVEOV-KBXIAJHMSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000442712331 386528352 /nfs/dbraw/zinc/52/83/52/386528352.db2.gz GEZGBEKLSRVEOV-KBXIAJHMSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831285 386709367 /nfs/dbraw/zinc/70/93/67/386709367.db2.gz MZYAGQVVQDYPFQ-JSGCOSHPSA-N 2 2 218.344 2.631 20 30 BFEDLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425351719 386959995 /nfs/dbraw/zinc/95/99/95/386959995.db2.gz JWOMPQGAMIFANO-DZGCQCFKSA-N 2 2 243.354 2.605 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)C1CC1 ZINC000120844402 387199095 /nfs/dbraw/zinc/19/90/95/387199095.db2.gz BXRFKFUFYUOODT-HNNXBMFYSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[N@H+](CC)C1CC1)C1CC1 ZINC000120844402 387199097 /nfs/dbraw/zinc/19/90/97/387199097.db2.gz BXRFKFUFYUOODT-HNNXBMFYSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccco1 ZINC000423476963 387324250 /nfs/dbraw/zinc/32/42/50/387324250.db2.gz SYKQXXKBOFRFGT-NWDGAFQWSA-N 2 2 222.332 2.614 20 30 BFEDLP C=CCCC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000515171317 387343800 /nfs/dbraw/zinc/34/38/00/387343800.db2.gz OQITTWDOFVTPMB-LLVKDONJSA-N 2 2 221.348 2.563 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527656667 387662986 /nfs/dbraw/zinc/66/29/86/387662986.db2.gz JYVOZXSFINRHAZ-RCBQFDQVSA-N 2 2 248.414 2.661 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000527923249 387791865 /nfs/dbraw/zinc/79/18/65/387791865.db2.gz CZKYVTDGMDPOSS-OCCSQVGLSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000527923249 387791869 /nfs/dbraw/zinc/79/18/69/387791869.db2.gz CZKYVTDGMDPOSS-OCCSQVGLSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242496 388027009 /nfs/dbraw/zinc/02/70/09/388027009.db2.gz MBBXXZXUFSPECI-KCQAQPDRSA-N 2 2 232.371 2.877 20 30 BFEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@@H+]1C ZINC000449233749 388159940 /nfs/dbraw/zinc/15/99/40/388159940.db2.gz MVIZUFGWKRBFHC-JLVJUDLZSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@H+]1C ZINC000449233749 388159943 /nfs/dbraw/zinc/15/99/43/388159943.db2.gz MVIZUFGWKRBFHC-JLVJUDLZSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@@H+]1C ZINC000449233747 388160401 /nfs/dbraw/zinc/16/04/01/388160401.db2.gz MVIZUFGWKRBFHC-FEWQNLEASA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCC[N@H+]1C ZINC000449233747 388160402 /nfs/dbraw/zinc/16/04/02/388160402.db2.gz MVIZUFGWKRBFHC-FEWQNLEASA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449255933 388163543 /nfs/dbraw/zinc/16/35/43/388163543.db2.gz AZGUDHJFKJFBHF-KGLIPLIRSA-N 2 2 247.386 2.922 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C2CCC2)CC1 ZINC000449120205 388145759 /nfs/dbraw/zinc/14/57/59/388145759.db2.gz CFNDBJOYUZAZHZ-OAHLLOKOSA-N 2 2 236.403 2.805 20 30 BFEDLP C=C(C)CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449475204 388213698 /nfs/dbraw/zinc/21/36/98/388213698.db2.gz KYBPQPABUSNSSK-UHFFFAOYSA-N 2 2 229.327 2.699 20 30 BFEDLP C=C(C)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449474797 388213742 /nfs/dbraw/zinc/21/37/42/388213742.db2.gz KEGMMBWEQCYGCH-UHFFFAOYSA-N 2 2 247.367 2.990 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287304 388543699 /nfs/dbraw/zinc/54/36/99/388543699.db2.gz FPHJKNRRKKYLBU-AWEZNQCLSA-N 2 2 233.359 2.876 20 30 BFEDLP C=CCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287304 388543702 /nfs/dbraw/zinc/54/37/02/388543702.db2.gz FPHJKNRRKKYLBU-AWEZNQCLSA-N 2 2 233.359 2.876 20 30 BFEDLP CC[C@@H](CC#N)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354659672 134169601 /nfs/dbraw/zinc/16/96/01/134169601.db2.gz UXTWNAPKNSBFQF-AWEZNQCLSA-N 2 2 231.343 2.605 20 30 BFEDLP CC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120048614 134227182 /nfs/dbraw/zinc/22/71/82/134227182.db2.gz UHQKCIHFOVRPRX-JKSUJKDBSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120048614 134227183 /nfs/dbraw/zinc/22/71/83/134227183.db2.gz UHQKCIHFOVRPRX-JKSUJKDBSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000120048614 134227184 /nfs/dbraw/zinc/22/71/84/134227184.db2.gz UHQKCIHFOVRPRX-JKSUJKDBSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000120048614 134227185 /nfs/dbraw/zinc/22/71/85/134227185.db2.gz UHQKCIHFOVRPRX-JKSUJKDBSA-N 2 2 248.414 2.596 20 30 BFEDLP C=C(C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000377625274 134244369 /nfs/dbraw/zinc/24/43/69/134244369.db2.gz MIIHXHUMVXLTQY-UHFFFAOYSA-N 2 2 246.354 2.809 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCCC2)CC1 ZINC000177912854 134301679 /nfs/dbraw/zinc/30/16/79/134301679.db2.gz LDEGGEWRBVXSPK-CYBMUJFWSA-N 2 2 236.403 2.805 20 30 BFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185775199 134394720 /nfs/dbraw/zinc/39/47/20/134394720.db2.gz KPKDDHYFUZOFRA-KKUMJFAQSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000126753544 134610110 /nfs/dbraw/zinc/61/01/10/134610110.db2.gz LBKFXHQIGDVAIB-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337358438 135012803 /nfs/dbraw/zinc/01/28/03/135012803.db2.gz BOYSJYCFASLBMU-NUEKZKHPSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccco1 ZINC000665280349 410752786 /nfs/dbraw/zinc/75/27/86/410752786.db2.gz ZIXRHEULWIBICS-JVWICGRDSA-N 2 2 246.354 2.629 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000651690788 411136284 /nfs/dbraw/zinc/13/62/84/411136284.db2.gz VTKGFNVMEABFCV-KFWWJZLASA-N 2 2 247.386 2.854 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000658036514 411212097 /nfs/dbraw/zinc/21/20/97/411212097.db2.gz XAJCVLWWJQWPFQ-DZGCQCFKSA-N 2 2 247.386 2.687 20 30 BFEDLP C=CCCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657428317 411505025 /nfs/dbraw/zinc/50/50/25/411505025.db2.gz HWKGUIAGKGEYFH-LBPRGKRZSA-N 2 2 233.359 2.664 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849273 411536874 /nfs/dbraw/zinc/53/68/74/411536874.db2.gz RSZIGMLWPPMTCW-RRFJBIMHSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849273 411536875 /nfs/dbraw/zinc/53/68/75/411536875.db2.gz RSZIGMLWPPMTCW-RRFJBIMHSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CCC)C2)C1 ZINC000657741020 411589004 /nfs/dbraw/zinc/58/90/04/411589004.db2.gz AAKIOPFISGRYOS-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CCC)C2)C1 ZINC000657741020 411589005 /nfs/dbraw/zinc/58/90/05/411589005.db2.gz AAKIOPFISGRYOS-KFWWJZLASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000651814037 487834365 /nfs/dbraw/zinc/83/43/65/487834365.db2.gz HLVAQABQYKWXMG-JHJVBQTASA-N 2 2 245.370 2.601 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000651814037 487834369 /nfs/dbraw/zinc/83/43/69/487834369.db2.gz HLVAQABQYKWXMG-JHJVBQTASA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309969264 487877469 /nfs/dbraw/zinc/87/74/69/487877469.db2.gz HUVXFGNOSVOLKI-GOEBONIOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309969264 487877474 /nfs/dbraw/zinc/87/74/74/487877474.db2.gz HUVXFGNOSVOLKI-GOEBONIOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000531719485 323112066 /nfs/dbraw/zinc/11/20/66/323112066.db2.gz VLCYYDYIWYKFDN-HNNXBMFYSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000126749117 323173999 /nfs/dbraw/zinc/17/39/99/323173999.db2.gz NFWYREOMCWYWCZ-ZIAGYGMSSA-N 2 2 226.408 2.907 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000121605600 324018551 /nfs/dbraw/zinc/01/85/51/324018551.db2.gz UYPWFPJPQLVBHE-BJJXKVORSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000121605600 324018553 /nfs/dbraw/zinc/01/85/53/324018553.db2.gz UYPWFPJPQLVBHE-BJJXKVORSA-N 2 2 248.414 2.946 20 30 BFEDLP CC[C@H](CC#N)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354659674 536055778 /nfs/dbraw/zinc/05/57/78/536055778.db2.gz UXTWNAPKNSBFQF-CQSZACIVSA-N 2 2 231.343 2.605 20 30 BFEDLP C#CCCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000766917771 585511628 /nfs/dbraw/zinc/51/16/28/585511628.db2.gz OJRVVTJDEZULLS-OAGGEKHMSA-N 2 2 248.414 2.737 20 30 BFEDLP C#CCCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000766917771 585511629 /nfs/dbraw/zinc/51/16/29/585511629.db2.gz OJRVVTJDEZULLS-OAGGEKHMSA-N 2 2 248.414 2.737 20 30 BFEDLP C#CC[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000862445542 589214830 /nfs/dbraw/zinc/21/48/30/589214830.db2.gz WTFHCVOPMFRGTE-INIZCTEOSA-N 2 2 242.366 2.668 20 30 BFEDLP C#CC[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000862445542 589214831 /nfs/dbraw/zinc/21/48/31/589214831.db2.gz WTFHCVOPMFRGTE-INIZCTEOSA-N 2 2 242.366 2.668 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000872102134 589870451 /nfs/dbraw/zinc/87/04/51/589870451.db2.gz PGDKPUMMBSJVGX-OLZOCXBDSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC(C)(C)CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000872102134 589870452 /nfs/dbraw/zinc/87/04/52/589870452.db2.gz PGDKPUMMBSJVGX-OLZOCXBDSA-N 2 2 224.392 2.519 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876764068 590239898 /nfs/dbraw/zinc/23/98/98/590239898.db2.gz NNXUMPXEGZEMQR-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876764068 590239900 /nfs/dbraw/zinc/23/99/00/590239900.db2.gz NNXUMPXEGZEMQR-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000876764068 590239902 /nfs/dbraw/zinc/23/99/02/590239902.db2.gz NNXUMPXEGZEMQR-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000876764068 590239904 /nfs/dbraw/zinc/23/99/04/590239904.db2.gz NNXUMPXEGZEMQR-CVEARBPZSA-N 2 2 248.414 2.739 20 30 BFEDLP C#CCCCCCC[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000877023887 590270401 /nfs/dbraw/zinc/27/04/01/590270401.db2.gz IXWOYQWNUMVBMH-CQSZACIVSA-N 2 2 236.403 2.642 20 30 BFEDLP C#CCCCCCC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000877023887 590270403 /nfs/dbraw/zinc/27/04/03/590270403.db2.gz IXWOYQWNUMVBMH-CQSZACIVSA-N 2 2 236.403 2.642 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000877636328 590380430 /nfs/dbraw/zinc/38/04/30/590380430.db2.gz UANMOKYPTHSXBN-OAHLLOKOSA-N 2 2 236.403 2.644 20 30 BFEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000877636328 590380433 /nfs/dbraw/zinc/38/04/33/590380433.db2.gz UANMOKYPTHSXBN-OAHLLOKOSA-N 2 2 236.403 2.644 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000877970226 590462602 /nfs/dbraw/zinc/46/26/02/590462602.db2.gz LIUPMEXPQLPDAI-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000877970226 590462603 /nfs/dbraw/zinc/46/26/03/590462603.db2.gz LIUPMEXPQLPDAI-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282036 590533051 /nfs/dbraw/zinc/53/30/51/590533051.db2.gz PNLCUXHNGGXWSA-RDBSUJKOSA-N 2 2 233.359 2.731 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282036 590533052 /nfs/dbraw/zinc/53/30/52/590533052.db2.gz PNLCUXHNGGXWSA-RDBSUJKOSA-N 2 2 233.359 2.731 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000878569107 590593186 /nfs/dbraw/zinc/59/31/86/590593186.db2.gz MRQUEIAUNDODDZ-NUEKZKHPSA-N 2 2 244.382 2.986 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000878569107 590593187 /nfs/dbraw/zinc/59/31/87/590593187.db2.gz MRQUEIAUNDODDZ-NUEKZKHPSA-N 2 2 244.382 2.986 20 30 BFEDLP C=CCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880142894 590941875 /nfs/dbraw/zinc/94/18/75/590941875.db2.gz VSQCUGXIFWXMTC-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880142894 590941877 /nfs/dbraw/zinc/94/18/77/590941877.db2.gz VSQCUGXIFWXMTC-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880142894 590941879 /nfs/dbraw/zinc/94/18/79/590941879.db2.gz VSQCUGXIFWXMTC-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880142894 590941881 /nfs/dbraw/zinc/94/18/81/590941881.db2.gz VSQCUGXIFWXMTC-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926519884 632426302 /nfs/dbraw/zinc/42/63/02/632426302.db2.gz NIBCWBCPNDJEGW-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926519884 632426305 /nfs/dbraw/zinc/42/63/05/632426305.db2.gz NIBCWBCPNDJEGW-ZIAGYGMSSA-N 2 2 222.376 2.559 20 30 BFEDLP C=C(CC)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925692270 646418229 /nfs/dbraw/zinc/41/82/29/646418229.db2.gz NZVIFIBTICHQAN-TZMCWYRMSA-N 2 2 218.344 2.631 20 30 BFEDLP CC[NH+](CC)C1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001173105108 975023673 /nfs/dbraw/zinc/02/36/73/975023673.db2.gz PQLFITMTECPPMQ-UHFFFAOYSA-N 2 2 237.391 2.531 20 30 BFEDLP C=C1C[C@@H]2CC(n3cc[nH+]c3CC[NH3+])C[C@H](C1)C2 ZINC001257887194 971518844 /nfs/dbraw/zinc/51/88/44/971518844.db2.gz WXAYDCJKUJXKSJ-PBWFPOADSA-N 2 2 245.370 2.692 20 30 BFEDLP C=CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246488643 972354241 /nfs/dbraw/zinc/35/42/41/972354241.db2.gz KOXNMSQSBXTLCR-LSDHHAIUSA-N 2 2 230.355 2.645 20 30 BFEDLP C=CCc1cc(C)c[nH+]c1N(CCC[NH3+])C(C)C ZINC001164120990 965744214 /nfs/dbraw/zinc/74/42/14/965744214.db2.gz CZSGTFNVEKUNKT-UHFFFAOYSA-N 2 2 247.386 2.682 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235188238 966030726 /nfs/dbraw/zinc/03/07/26/966030726.db2.gz MVWLFMBZKMEKKE-OWCLPIDISA-N 2 2 246.398 2.583 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235188238 966030742 /nfs/dbraw/zinc/03/07/42/966030742.db2.gz MVWLFMBZKMEKKE-OWCLPIDISA-N 2 2 246.398 2.583 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001204877664 967212332 /nfs/dbraw/zinc/21/23/32/967212332.db2.gz MDPMUAQOCJTAHA-CABCVRRESA-N 2 2 234.387 2.712 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001204877664 967212342 /nfs/dbraw/zinc/21/23/42/967212342.db2.gz MDPMUAQOCJTAHA-CABCVRRESA-N 2 2 234.387 2.712 20 30 BFEDLP C#CCCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001330587947 974337654 /nfs/dbraw/zinc/33/76/54/974337654.db2.gz FQWVKBNTKYWGCH-MRXNPFEDSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001330587947 974337668 /nfs/dbraw/zinc/33/76/68/974337668.db2.gz FQWVKBNTKYWGCH-MRXNPFEDSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001330587947 974337679 /nfs/dbraw/zinc/33/76/79/974337679.db2.gz FQWVKBNTKYWGCH-MRXNPFEDSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001330587947 974337685 /nfs/dbraw/zinc/33/76/85/974337685.db2.gz FQWVKBNTKYWGCH-MRXNPFEDSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001330587945 974337889 /nfs/dbraw/zinc/33/78/89/974337889.db2.gz FQWVKBNTKYWGCH-INIZCTEOSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001330587945 974337897 /nfs/dbraw/zinc/33/78/97/974337897.db2.gz FQWVKBNTKYWGCH-INIZCTEOSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001330587945 974337903 /nfs/dbraw/zinc/33/79/03/974337903.db2.gz FQWVKBNTKYWGCH-INIZCTEOSA-N 2 2 248.414 2.740 20 30 BFEDLP C#CCCCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001330587945 974337908 /nfs/dbraw/zinc/33/79/08/974337908.db2.gz FQWVKBNTKYWGCH-INIZCTEOSA-N 2 2 248.414 2.740 20 30 BFEDLP C[C@H](CCCC#N)[NH2+]CC[NH+]1CCCCCC1 ZINC001172481685 974782103 /nfs/dbraw/zinc/78/21/03/974782103.db2.gz WSFVIPMNNVZUJR-CQSZACIVSA-N 2 2 237.391 2.534 20 30 BFEDLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584748 975425419 /nfs/dbraw/zinc/42/54/19/975425419.db2.gz JWYKLSKPAUDIOH-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@H]2CCC[NH2+]C2)CC1 ZINC001235343659 979030603 /nfs/dbraw/zinc/03/06/03/979030603.db2.gz WVCHKEHMXBFRJF-CVEARBPZSA-N 2 2 248.414 2.973 20 30 BFEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H]2CCC[NH2+]C2)CC1 ZINC001235343659 979030609 /nfs/dbraw/zinc/03/06/09/979030609.db2.gz WVCHKEHMXBFRJF-CVEARBPZSA-N 2 2 248.414 2.973 20 30 BFEDLP CCCCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275126146 984496400 /nfs/dbraw/zinc/49/64/00/984496400.db2.gz FYVAHANFIWYRCK-UHFFFAOYSA-N 2 2 224.392 2.594 20 30 BFEDLP CCCCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275126146 984496412 /nfs/dbraw/zinc/49/64/12/984496412.db2.gz FYVAHANFIWYRCK-UHFFFAOYSA-N 2 2 224.392 2.594 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246173078 987538097 /nfs/dbraw/zinc/53/80/97/987538097.db2.gz YYHYRQSXWPXPFQ-CQSZACIVSA-N 2 2 232.371 2.721 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246794538 988468157 /nfs/dbraw/zinc/46/81/57/988468157.db2.gz JSNJMQSSKMAYHX-MRXNPFEDSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246794538 988468166 /nfs/dbraw/zinc/46/81/66/988468166.db2.gz JSNJMQSSKMAYHX-MRXNPFEDSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258724772 991663418 /nfs/dbraw/zinc/66/34/18/991663418.db2.gz ATDFZUVQWFSHQA-GFCCVEGCSA-N 2 2 229.327 2.779 20 30 BFEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@](C)(C#N)CC ZINC001258900292 991896407 /nfs/dbraw/zinc/89/64/07/991896407.db2.gz HWZUJNGGXXVRTJ-ZIAGYGMSSA-N 2 2 239.407 2.779 20 30 BFEDLP C[C@H](CCC#N)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000602474740 349562373 /nfs/dbraw/zinc/56/23/73/349562373.db2.gz ZWMIMIVETAYGCZ-GFCCVEGCSA-N 2 2 246.358 2.529 20 30 BFEDLP CCC1([NH+]2CCCC2)CC[NH+](CCCC#N)CC1 ZINC000602948957 349819626 /nfs/dbraw/zinc/81/96/26/349819626.db2.gz GVLSOSHCQAZSPR-UHFFFAOYSA-N 2 2 249.402 2.631 20 30 BFEDLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594739963 348110482 /nfs/dbraw/zinc/11/04/82/348110482.db2.gz UXSAIYQCRNAWDX-ZIAGYGMSSA-N 2 2 249.402 2.581 20 30 BFEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594992728 348166902 /nfs/dbraw/zinc/16/69/02/348166902.db2.gz WMXXMYCDKPWILF-SHARSMKWSA-N 2 2 249.402 2.533 20 30 BFEDLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594992728 348166904 /nfs/dbraw/zinc/16/69/04/348166904.db2.gz WMXXMYCDKPWILF-SHARSMKWSA-N 2 2 249.402 2.533 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595056902 348183117 /nfs/dbraw/zinc/18/31/17/348183117.db2.gz SFHVFXMEMGIONU-RDBSUJKOSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595056902 348183122 /nfs/dbraw/zinc/18/31/22/348183122.db2.gz SFHVFXMEMGIONU-RDBSUJKOSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000595056900 348183254 /nfs/dbraw/zinc/18/32/54/348183254.db2.gz SFHVFXMEMGIONU-MCIONIFRSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000595056900 348183260 /nfs/dbraw/zinc/18/32/60/348183260.db2.gz SFHVFXMEMGIONU-MCIONIFRSA-N 2 2 249.402 2.531 20 30 BFEDLP CC[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595097818 348194484 /nfs/dbraw/zinc/19/44/84/348194484.db2.gz KKRGPPLFQYNIKM-UHFFFAOYSA-N 2 2 249.402 2.534 20 30 BFEDLP N#CC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCCCC1 ZINC000596649053 348605109 /nfs/dbraw/zinc/60/51/09/348605109.db2.gz AMDFZTYRLXVWMF-ZIAGYGMSSA-N 2 2 249.402 2.710 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000249178215 349155950 /nfs/dbraw/zinc/15/59/50/349155950.db2.gz GJQDUEPLRQTIHZ-GDBMZVCRSA-N 2 2 244.382 2.673 20 30 BFEDLP C=C(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000249178215 349155952 /nfs/dbraw/zinc/15/59/52/349155952.db2.gz GJQDUEPLRQTIHZ-GDBMZVCRSA-N 2 2 244.382 2.673 20 30 BFEDLP C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000070593287 350026263 /nfs/dbraw/zinc/02/62/63/350026263.db2.gz LOMLRSVMOBOQJP-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000070593287 350026266 /nfs/dbraw/zinc/02/62/66/350026266.db2.gz LOMLRSVMOBOQJP-UONOGXRCSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427892040 191100495 /nfs/dbraw/zinc/10/04/95/191100495.db2.gz MKHBAYXEDVAEJV-ZIAGYGMSSA-N 2 2 247.386 2.922 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336726269 351467149 /nfs/dbraw/zinc/46/71/49/351467149.db2.gz GEHYNAPYGMHAMF-RDBSUJKOSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336726269 351467154 /nfs/dbraw/zinc/46/71/54/351467154.db2.gz GEHYNAPYGMHAMF-RDBSUJKOSA-N 2 2 224.392 2.804 20 30 BFEDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000274179326 351563088 /nfs/dbraw/zinc/56/30/88/351563088.db2.gz FDOFVIRJFYYNJH-HIFRSBDPSA-N 2 2 243.354 2.605 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336738691 352144999 /nfs/dbraw/zinc/14/49/99/352144999.db2.gz OLYXXLLHANBIGE-RWMBFGLXSA-N 2 2 222.376 2.556 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336738691 352145002 /nfs/dbraw/zinc/14/50/02/352145002.db2.gz OLYXXLLHANBIGE-RWMBFGLXSA-N 2 2 222.376 2.556 20 30 BFEDLP C=CCCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182793344 353491442 /nfs/dbraw/zinc/49/14/42/353491442.db2.gz PKQCUSYTWAAISV-UHFFFAOYSA-N 2 2 235.375 2.951 20 30 BFEDLP C=CCCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000182793344 353491443 /nfs/dbraw/zinc/49/14/43/353491443.db2.gz PKQCUSYTWAAISV-UHFFFAOYSA-N 2 2 235.375 2.951 20 30 BFEDLP C=CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289453500 353629068 /nfs/dbraw/zinc/62/90/68/353629068.db2.gz VDCCOLTUJNYPFV-JKSUJKDBSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289453500 353629072 /nfs/dbraw/zinc/62/90/72/353629072.db2.gz VDCCOLTUJNYPFV-JKSUJKDBSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[NH+](CC=C)CCCc1c[nH+]ccc1C ZINC000289068956 353617105 /nfs/dbraw/zinc/61/71/05/353617105.db2.gz JOEPBWUZIHBJRQ-UHFFFAOYSA-N 2 2 230.355 2.997 20 30 BFEDLP C=C(C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000343756187 353973258 /nfs/dbraw/zinc/97/32/58/353973258.db2.gz ASWSTUHUFFOORB-HOCLYGCPSA-N 2 2 244.382 2.630 20 30 BFEDLP C=C(C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000343756187 353973259 /nfs/dbraw/zinc/97/32/59/353973259.db2.gz ASWSTUHUFFOORB-HOCLYGCPSA-N 2 2 244.382 2.630 20 30 BFEDLP C=C(C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000343756188 353973396 /nfs/dbraw/zinc/97/33/96/353973396.db2.gz ASWSTUHUFFOORB-ZBFHGGJFSA-N 2 2 244.382 2.630 20 30 BFEDLP C=C(C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000343756188 353973399 /nfs/dbraw/zinc/97/33/99/353973399.db2.gz ASWSTUHUFFOORB-ZBFHGGJFSA-N 2 2 244.382 2.630 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000344340215 354236082 /nfs/dbraw/zinc/23/60/82/354236082.db2.gz XZGLLVVVKBQHKI-IPYPFGDCSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000344340215 354236085 /nfs/dbraw/zinc/23/60/85/354236085.db2.gz XZGLLVVVKBQHKI-IPYPFGDCSA-N 2 2 236.403 2.804 20 30 BFEDLP CC[N@H+](CCCc1c[nH+]ccc1C)C[C@@H](C)C#N ZINC000347618265 355237560 /nfs/dbraw/zinc/23/75/60/355237560.db2.gz URYACOKBCRJHEA-ZDUSSCGKSA-N 2 2 245.370 2.804 20 30 BFEDLP CC[N@@H+](CCCc1c[nH+]ccc1C)C[C@@H](C)C#N ZINC000347618265 355237563 /nfs/dbraw/zinc/23/75/63/355237563.db2.gz URYACOKBCRJHEA-ZDUSSCGKSA-N 2 2 245.370 2.804 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)o2)CC1 ZINC000106245943 355772297 /nfs/dbraw/zinc/77/22/97/355772297.db2.gz OHUCAAHSOWOXTF-UHFFFAOYSA-N 2 2 248.370 2.718 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000437094212 201343445 /nfs/dbraw/zinc/34/34/45/201343445.db2.gz IBADBXPARQEQIK-CQSZACIVSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000438984037 201429090 /nfs/dbraw/zinc/42/90/90/201429090.db2.gz DHCKEWPJYWNKQF-UHOFOFEASA-N 2 2 248.414 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000438984037 201429093 /nfs/dbraw/zinc/42/90/93/201429093.db2.gz DHCKEWPJYWNKQF-UHOFOFEASA-N 2 2 248.414 2.804 20 30 BFEDLP C=CC[NH+](CC=C)Cc1cccc2[nH+]ccn21 ZINC000183464066 367025147 /nfs/dbraw/zinc/02/51/47/367025147.db2.gz YYIRTVVSVUXMOU-UHFFFAOYSA-N 2 2 227.311 2.508 20 30 BFEDLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)CC#N ZINC000459730381 203344854 /nfs/dbraw/zinc/34/48/54/203344854.db2.gz LWDYUHJLYIJVMN-UHFFFAOYSA-N 2 2 245.370 2.852 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)CC)CC1 ZINC000167400534 206146005 /nfs/dbraw/zinc/14/60/05/206146005.db2.gz QVYKBVWXZOZTCR-OLZOCXBDSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000116926466 383940481 /nfs/dbraw/zinc/94/04/81/383940481.db2.gz OGALMOSCYJZLIG-ZDUSSCGKSA-N 2 2 241.338 2.927 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000153013888 384134924 /nfs/dbraw/zinc/13/49/24/384134924.db2.gz WIEBXXPBEWBTDY-ZDUSSCGKSA-N 2 2 248.370 2.971 20 30 BFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151147009 384542092 /nfs/dbraw/zinc/54/20/92/384542092.db2.gz MMOPNBIVDHUFAK-ZDUSSCGKSA-N 2 2 242.794 2.689 20 30 BFEDLP C=C(Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151147009 384542095 /nfs/dbraw/zinc/54/20/95/384542095.db2.gz MMOPNBIVDHUFAK-ZDUSSCGKSA-N 2 2 242.794 2.689 20 30 BFEDLP C=CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000449606420 384698428 /nfs/dbraw/zinc/69/84/28/384698428.db2.gz QQBHXDDKAKDGPL-UONOGXRCSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCCC1 ZINC000449606420 384698436 /nfs/dbraw/zinc/69/84/36/384698436.db2.gz QQBHXDDKAKDGPL-UONOGXRCSA-N 2 2 236.403 2.663 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602723489 385818533 /nfs/dbraw/zinc/81/85/33/385818533.db2.gz BXYCJQVTYVVPFN-HIFRSBDPSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602723489 385818538 /nfs/dbraw/zinc/81/85/38/385818538.db2.gz BXYCJQVTYVVPFN-HIFRSBDPSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414961303 385884367 /nfs/dbraw/zinc/88/43/67/385884367.db2.gz VBONDRVTBXNYOR-CZUORRHYSA-N 2 2 244.382 2.818 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])CC)c1ccco1 ZINC000423476966 387324174 /nfs/dbraw/zinc/32/41/74/387324174.db2.gz SYKQXXKBOFRFGT-VXGBXAGGSA-N 2 2 222.332 2.614 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274820560 387494159 /nfs/dbraw/zinc/49/41/59/387494159.db2.gz YADCVTATFNTGPU-GFCCVEGCSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274820560 387494163 /nfs/dbraw/zinc/49/41/63/387494163.db2.gz YADCVTATFNTGPU-GFCCVEGCSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245499350 387951689 /nfs/dbraw/zinc/95/16/89/387951689.db2.gz XYTYJKYZTBUABI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245499350 387951696 /nfs/dbraw/zinc/95/16/96/387951696.db2.gz XYTYJKYZTBUABI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245499350 387951702 /nfs/dbraw/zinc/95/17/02/387951702.db2.gz XYTYJKYZTBUABI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245499350 387951706 /nfs/dbraw/zinc/95/17/06/387951706.db2.gz XYTYJKYZTBUABI-CABCVRRESA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000438984036 387972718 /nfs/dbraw/zinc/97/27/18/387972718.db2.gz DHCKEWPJYWNKQF-RCBQFDQVSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000438984036 387972723 /nfs/dbraw/zinc/97/27/23/387972723.db2.gz DHCKEWPJYWNKQF-RCBQFDQVSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453105213 387985876 /nfs/dbraw/zinc/98/58/76/387985876.db2.gz WDFHQPGKUITJME-INIZCTEOSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242494 388026963 /nfs/dbraw/zinc/02/69/63/388026963.db2.gz MBBXXZXUFSPECI-GUTXKFCHSA-N 2 2 232.371 2.877 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccco1 ZINC000423268525 388047102 /nfs/dbraw/zinc/04/71/02/388047102.db2.gz GMHADCPOANKLGF-QWHCGFSZSA-N 2 2 236.359 2.860 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449122233 388145393 /nfs/dbraw/zinc/14/53/93/388145393.db2.gz KVTDMSJOOFLXST-OAHLLOKOSA-N 2 2 248.414 2.949 20 30 BFEDLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423309791 388691900 /nfs/dbraw/zinc/69/19/00/388691900.db2.gz LZRHXOLGMSYXPE-HNNXBMFYSA-N 2 2 245.370 2.599 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362863794 134214660 /nfs/dbraw/zinc/21/46/60/134214660.db2.gz MAMRECUMJGBABL-GFCCVEGCSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362863794 134214661 /nfs/dbraw/zinc/21/46/61/134214661.db2.gz MAMRECUMJGBABL-GFCCVEGCSA-N 2 2 219.332 2.555 20 30 BFEDLP CC#CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120048436 134227158 /nfs/dbraw/zinc/22/71/58/134227158.db2.gz UHQKCIHFOVRPRX-HOTGVXAUSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120048436 134227159 /nfs/dbraw/zinc/22/71/59/134227159.db2.gz UHQKCIHFOVRPRX-HOTGVXAUSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000120048436 134227160 /nfs/dbraw/zinc/22/71/60/134227160.db2.gz UHQKCIHFOVRPRX-HOTGVXAUSA-N 2 2 248.414 2.596 20 30 BFEDLP CC#CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000120048436 134227161 /nfs/dbraw/zinc/22/71/61/134227161.db2.gz UHQKCIHFOVRPRX-HOTGVXAUSA-N 2 2 248.414 2.596 20 30 BFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248812602 135021220 /nfs/dbraw/zinc/02/12/20/135021220.db2.gz KPKDDHYFUZOFRA-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271293455 166234333 /nfs/dbraw/zinc/23/43/33/166234333.db2.gz NGVDPJHMRQUAFA-UONOGXRCSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271293455 166234334 /nfs/dbraw/zinc/23/43/34/166234334.db2.gz NGVDPJHMRQUAFA-UONOGXRCSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC)C1 ZINC000651666035 411133349 /nfs/dbraw/zinc/13/33/49/411133349.db2.gz NCOBDKLJNRDGGC-QLFBSQMISA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)C1 ZINC000651666035 411133351 /nfs/dbraw/zinc/13/33/51/411133351.db2.gz NCOBDKLJNRDGGC-QLFBSQMISA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000651667571 411133844 /nfs/dbraw/zinc/13/38/44/411133844.db2.gz HWTSFLQOSFEYHW-OLZOCXBDSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000651708507 411137901 /nfs/dbraw/zinc/13/79/01/411137901.db2.gz SJYLEODJKNNLMB-FVQBIDKESA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000651708507 411137902 /nfs/dbraw/zinc/13/79/02/411137902.db2.gz SJYLEODJKNNLMB-FVQBIDKESA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000651708509 411137913 /nfs/dbraw/zinc/13/79/13/411137913.db2.gz SJYLEODJKNNLMB-VNQPRFMTSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000651708509 411137914 /nfs/dbraw/zinc/13/79/14/411137914.db2.gz SJYLEODJKNNLMB-VNQPRFMTSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000651735881 411140035 /nfs/dbraw/zinc/14/00/35/411140035.db2.gz FVNOXYZZJHAQRM-NYTXWWLZSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000651735881 411140036 /nfs/dbraw/zinc/14/00/36/411140036.db2.gz FVNOXYZZJHAQRM-NYTXWWLZSA-N 2 2 248.414 2.804 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595054835 411149526 /nfs/dbraw/zinc/14/95/26/411149526.db2.gz VFWGZNFQIGKYSP-MGPQQGTHSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595054835 411149527 /nfs/dbraw/zinc/14/95/27/411149527.db2.gz VFWGZNFQIGKYSP-MGPQQGTHSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000658036516 411212060 /nfs/dbraw/zinc/21/20/60/411212060.db2.gz XAJCVLWWJQWPFQ-HIFRSBDPSA-N 2 2 247.386 2.687 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657529857 411544449 /nfs/dbraw/zinc/54/44/49/411544449.db2.gz JNNXNUYLVJIHLC-UKRRQHHQSA-N 2 2 247.386 2.953 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657583047 411554632 /nfs/dbraw/zinc/55/46/32/411554632.db2.gz VQYXIWDQHYCMPP-GDBMZVCRSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657583047 411554634 /nfs/dbraw/zinc/55/46/34/411554634.db2.gz VQYXIWDQHYCMPP-GDBMZVCRSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000657741021 411588699 /nfs/dbraw/zinc/58/86/99/411588699.db2.gz AAKIOPFISGRYOS-QLFBSQMISA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CCC)C2)C1 ZINC000657741021 411588701 /nfs/dbraw/zinc/58/87/01/411588701.db2.gz AAKIOPFISGRYOS-QLFBSQMISA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCC(C)(C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657806355 411600879 /nfs/dbraw/zinc/60/08/79/411600879.db2.gz MIFULKZAUPRATG-UHFFFAOYSA-N 2 2 221.348 2.563 20 30 BFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000657825771 411607927 /nfs/dbraw/zinc/60/79/27/411607927.db2.gz PLIMPINZSIILBR-GJZGRUSLSA-N 2 2 236.403 2.807 20 30 BFEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1c[nH+]cn1C ZINC000662089217 411983966 /nfs/dbraw/zinc/98/39/66/411983966.db2.gz UZRIIMPURMDAKF-OKILXGFUSA-N 2 2 245.370 2.536 20 30 BFEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1c[nH+]cn1C ZINC000662089217 411983971 /nfs/dbraw/zinc/98/39/71/411983971.db2.gz UZRIIMPURMDAKF-OKILXGFUSA-N 2 2 245.370 2.536 20 30 BFEDLP C=CC[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668492457 487847952 /nfs/dbraw/zinc/84/79/52/487847952.db2.gz BLEDJXKBQUFLOC-CYBMUJFWSA-N 2 2 245.370 2.617 20 30 BFEDLP C=CC[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668492457 487847956 /nfs/dbraw/zinc/84/79/56/487847956.db2.gz BLEDJXKBQUFLOC-CYBMUJFWSA-N 2 2 245.370 2.617 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000309779122 326167687 /nfs/dbraw/zinc/16/76/87/326167687.db2.gz QNTNMJOJRIIGPS-MELADBBJSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000309779122 326167688 /nfs/dbraw/zinc/16/76/88/326167688.db2.gz QNTNMJOJRIIGPS-MELADBBJSA-N 2 2 224.392 2.519 20 30 BFEDLP C=CCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557241 488003629 /nfs/dbraw/zinc/00/36/29/488003629.db2.gz BRGOJGGRGZVECM-MRXNPFEDSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557241 488003634 /nfs/dbraw/zinc/00/36/34/488003634.db2.gz BRGOJGGRGZVECM-MRXNPFEDSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000348415523 534768161 /nfs/dbraw/zinc/76/81/61/534768161.db2.gz RVLRMLPUVSVNIS-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=CCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000348415523 534768165 /nfs/dbraw/zinc/76/81/65/534768165.db2.gz RVLRMLPUVSVNIS-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487290033 526454731 /nfs/dbraw/zinc/45/47/31/526454731.db2.gz RAZDGYPVDCFCQY-OCCSQVGLSA-N 2 2 236.403 2.661 20 30 BFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248946784 535492604 /nfs/dbraw/zinc/49/26/04/535492604.db2.gz ZIRKMFRXZVIPSS-SOUVJXGZSA-N 2 2 249.402 2.533 20 30 BFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248946784 535492608 /nfs/dbraw/zinc/49/26/08/535492608.db2.gz ZIRKMFRXZVIPSS-SOUVJXGZSA-N 2 2 249.402 2.533 20 30 BFEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC1CCCCC1 ZINC000777456673 583134216 /nfs/dbraw/zinc/13/42/16/583134216.db2.gz FFZRXXSQMFLADE-UHFFFAOYSA-N 2 2 247.342 2.831 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136734 583471642 /nfs/dbraw/zinc/47/16/42/583471642.db2.gz RBIZSAQGRXUVKI-HUUCEWRRSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136734 583471644 /nfs/dbraw/zinc/47/16/44/583471644.db2.gz RBIZSAQGRXUVKI-HUUCEWRRSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136734 583471645 /nfs/dbraw/zinc/47/16/45/583471645.db2.gz RBIZSAQGRXUVKI-HUUCEWRRSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136734 583471647 /nfs/dbraw/zinc/47/16/47/583471647.db2.gz RBIZSAQGRXUVKI-HUUCEWRRSA-N 2 2 236.403 2.901 20 30 BFEDLP C#CC1([NH2+]CCCc2ccc(C)[nH+]c2)CCCC1 ZINC000895674644 583704146 /nfs/dbraw/zinc/70/41/46/583704146.db2.gz BGCARBXLBPCELW-UHFFFAOYSA-N 2 2 242.366 2.858 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902439946 584596932 /nfs/dbraw/zinc/59/69/32/584596932.db2.gz VMGVUBKMSDGVDU-YXAMBPQSSA-N 2 2 244.382 2.801 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438986 584597086 /nfs/dbraw/zinc/59/70/86/584597086.db2.gz PYEOXCJFTPOEAR-NUEKZKHPSA-N 2 2 244.382 2.946 20 30 BFEDLP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902439944 584597172 /nfs/dbraw/zinc/59/71/72/584597172.db2.gz VMGVUBKMSDGVDU-NOXHYTERSA-N 2 2 244.382 2.801 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902796277 584674221 /nfs/dbraw/zinc/67/42/21/584674221.db2.gz OOIHMKXVKLHMMI-ZIAGYGMSSA-N 2 2 248.414 2.805 20 30 BFEDLP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)c1cccc(C#N)c1 ZINC000903950676 584830996 /nfs/dbraw/zinc/83/09/96/584830996.db2.gz QQBBSJISKSELQS-GFCCVEGCSA-N 2 2 245.370 2.597 20 30 BFEDLP C=CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329549 585833619 /nfs/dbraw/zinc/83/36/19/585833619.db2.gz JSADKEJAIPZBTO-OAHLLOKOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329549 585833620 /nfs/dbraw/zinc/83/36/20/585833620.db2.gz JSADKEJAIPZBTO-OAHLLOKOSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCCCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000793515711 586021328 /nfs/dbraw/zinc/02/13/28/586021328.db2.gz IUVBOXHWVDNMDH-CQSZACIVSA-N 2 2 235.375 2.998 20 30 BFEDLP C#CCCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059070 590484292 /nfs/dbraw/zinc/48/42/92/590484292.db2.gz LYTJPUWOGRPPIS-HNNXBMFYSA-N 2 2 245.370 2.714 20 30 BFEDLP C#CCCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059070 590484294 /nfs/dbraw/zinc/48/42/94/590484294.db2.gz LYTJPUWOGRPPIS-HNNXBMFYSA-N 2 2 245.370 2.714 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000878569106 590593209 /nfs/dbraw/zinc/59/32/09/590593209.db2.gz MRQUEIAUNDODDZ-IMJJTQAJSA-N 2 2 244.382 2.986 20 30 BFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000878569106 590593210 /nfs/dbraw/zinc/59/32/10/590593210.db2.gz MRQUEIAUNDODDZ-IMJJTQAJSA-N 2 2 244.382 2.986 20 30 BFEDLP C#C[C@@](C)(CC)[NH2+]Cc1c(C)cc(C)[nH+]c1C ZINC000878661010 590604369 /nfs/dbraw/zinc/60/43/69/590604369.db2.gz UDNRBNWEUJTOAZ-HNNXBMFYSA-N 2 2 230.355 2.898 20 30 BFEDLP C=C(Cl)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000134792322 591950221 /nfs/dbraw/zinc/95/02/21/591950221.db2.gz BDNJJQRHVZDNMH-UHFFFAOYSA-N 2 2 247.729 2.714 20 30 BFEDLP C#CCC1([NH2+]Cc2[nH]c(C)[nH+]c2C)CCCCC1 ZINC000933263877 640691758 /nfs/dbraw/zinc/69/17/58/640691758.db2.gz PFMFEVUSIRXVNE-UHFFFAOYSA-N 2 2 245.370 2.842 20 30 BFEDLP C=CCCCC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001209202605 969388040 /nfs/dbraw/zinc/38/80/40/969388040.db2.gz LDHRSMREKHCOOS-UHFFFAOYSA-N 2 2 224.392 2.759 20 30 BFEDLP C=CCCCC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001209202605 969388045 /nfs/dbraw/zinc/38/80/45/969388045.db2.gz LDHRSMREKHCOOS-UHFFFAOYSA-N 2 2 224.392 2.759 20 30 BFEDLP CCCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903987 967224646 /nfs/dbraw/zinc/22/46/46/967224646.db2.gz JDRLOELNHUWMBV-CYBMUJFWSA-N 2 2 224.392 2.770 20 30 BFEDLP CCCCCCCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903987 967224658 /nfs/dbraw/zinc/22/46/58/967224658.db2.gz JDRLOELNHUWMBV-CYBMUJFWSA-N 2 2 224.392 2.770 20 30 BFEDLP C=CCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209427027 969496592 /nfs/dbraw/zinc/49/65/92/969496592.db2.gz DJHDTNADILXOIN-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209427027 969496598 /nfs/dbraw/zinc/49/65/98/969496598.db2.gz DJHDTNADILXOIN-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209427027 969496605 /nfs/dbraw/zinc/49/66/05/969496605.db2.gz DJHDTNADILXOIN-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209427027 969496611 /nfs/dbraw/zinc/49/66/11/969496611.db2.gz DJHDTNADILXOIN-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C[N@@H+]1CCC[C@H]([NH+](CCC#N)C2CCCC2)CC1 ZINC001254523978 969712755 /nfs/dbraw/zinc/71/27/55/969712755.db2.gz TUMOFEXTDSDIHR-HNNXBMFYSA-N 2 2 249.402 2.629 20 30 BFEDLP C[N@H+]1CCC[C@H]([NH+](CCC#N)C2CCCC2)CC1 ZINC001254523978 969712756 /nfs/dbraw/zinc/71/27/56/969712756.db2.gz TUMOFEXTDSDIHR-HNNXBMFYSA-N 2 2 249.402 2.629 20 30 BFEDLP C[NH+]1CCC[C@H]([N@H+](CCC#N)C2CCCC2)CC1 ZINC001254523978 969712760 /nfs/dbraw/zinc/71/27/60/969712760.db2.gz TUMOFEXTDSDIHR-HNNXBMFYSA-N 2 2 249.402 2.629 20 30 BFEDLP C[NH+]1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001254523978 969712761 /nfs/dbraw/zinc/71/27/61/969712761.db2.gz TUMOFEXTDSDIHR-HNNXBMFYSA-N 2 2 249.402 2.629 20 30 BFEDLP C[C@@H](CCCC#N)[NH2+]CC[NH+]1CCCCCC1 ZINC001172481683 974781368 /nfs/dbraw/zinc/78/13/68/974781368.db2.gz WSFVIPMNNVZUJR-AWEZNQCLSA-N 2 2 237.391 2.534 20 30 BFEDLP C[C@H](CCCC#N)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172493072 974842016 /nfs/dbraw/zinc/84/20/16/974842016.db2.gz WCEVVKHZHULGGA-GFCCVEGCSA-N 2 2 242.326 2.506 20 30 BFEDLP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001173109008 975026349 /nfs/dbraw/zinc/02/63/49/975026349.db2.gz VLZDNBWRQRUXBQ-NRXISQOPSA-N 2 2 249.402 2.627 20 30 BFEDLP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001173109008 975026354 /nfs/dbraw/zinc/02/63/54/975026354.db2.gz VLZDNBWRQRUXBQ-NRXISQOPSA-N 2 2 249.402 2.627 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC001235703511 979131598 /nfs/dbraw/zinc/13/15/98/979131598.db2.gz WWLBEGQTODQYMZ-MRXNPFEDSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC001235703511 979131604 /nfs/dbraw/zinc/13/16/04/979131604.db2.gz WWLBEGQTODQYMZ-MRXNPFEDSA-N 2 2 244.382 2.817 20 30 BFEDLP C=CCC[C@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001258734340 986097548 /nfs/dbraw/zinc/09/75/48/986097548.db2.gz XCYHVDJTSYCPKV-ZDUSSCGKSA-N 2 2 221.348 2.560 20 30 BFEDLP C=CCC[C@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001258734340 986097564 /nfs/dbraw/zinc/09/75/64/986097564.db2.gz XCYHVDJTSYCPKV-ZDUSSCGKSA-N 2 2 221.348 2.560 20 30 BFEDLP C=CCC[C@@H](C)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001258735658 991684042 /nfs/dbraw/zinc/68/40/42/991684042.db2.gz YLYPEYNLRUOTSW-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@@H](C)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001258735658 991684048 /nfs/dbraw/zinc/68/40/48/991684048.db2.gz YLYPEYNLRUOTSW-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@@H](C)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001258735658 991684054 /nfs/dbraw/zinc/68/40/54/991684054.db2.gz YLYPEYNLRUOTSW-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCC[C@@H](C)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001258735658 991684058 /nfs/dbraw/zinc/68/40/58/991684058.db2.gz YLYPEYNLRUOTSW-ZIAGYGMSSA-N 2 2 222.376 2.511 20 30 BFEDLP CCC#C[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001307598987 995414295 /nfs/dbraw/zinc/41/42/95/995414295.db2.gz ZGMCFSYBSLNINO-KKUMJFAQSA-N 2 2 245.370 2.568 20 30 BFEDLP CCC#C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001307598987 995414301 /nfs/dbraw/zinc/41/43/01/995414301.db2.gz ZGMCFSYBSLNINO-KKUMJFAQSA-N 2 2 245.370 2.568 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381582348 539004213 /nfs/dbraw/zinc/00/42/13/539004213.db2.gz FXORZWLBXFYYDU-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381582348 539004214 /nfs/dbraw/zinc/00/42/14/539004214.db2.gz FXORZWLBXFYYDU-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000602631766 349648826 /nfs/dbraw/zinc/64/88/26/349648826.db2.gz HBKZKDXVGBBSBX-UKRRQHHQSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000602631766 349648827 /nfs/dbraw/zinc/64/88/27/349648827.db2.gz HBKZKDXVGBBSBX-UKRRQHHQSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000602712560 349704910 /nfs/dbraw/zinc/70/49/10/349704910.db2.gz UYZSNSHYSYUFBI-KFWWJZLASA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000602712560 349704912 /nfs/dbraw/zinc/70/49/12/349704912.db2.gz UYZSNSHYSYUFBI-KFWWJZLASA-N 2 2 249.402 2.533 20 30 BFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000294949832 346324830 /nfs/dbraw/zinc/32/48/30/346324830.db2.gz INCCOVIIWOXJMW-ZDUSSCGKSA-N 2 2 248.370 2.502 20 30 BFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000294949832 346324831 /nfs/dbraw/zinc/32/48/31/346324831.db2.gz INCCOVIIWOXJMW-ZDUSSCGKSA-N 2 2 248.370 2.502 20 30 BFEDLP CC(C)(C)C[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000182792738 347106429 /nfs/dbraw/zinc/10/64/29/347106429.db2.gz ZFFLWDXQYMFMNU-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP CC(C)(C)C[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000182792738 347106431 /nfs/dbraw/zinc/10/64/31/347106431.db2.gz ZFFLWDXQYMFMNU-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP C=CC[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309603590 347120327 /nfs/dbraw/zinc/12/03/27/347120327.db2.gz YEUYSGMPUYFTHH-GFCCVEGCSA-N 2 2 218.344 2.877 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[NH+](CC)CC)C1CC1 ZINC000119818964 347308031 /nfs/dbraw/zinc/30/80/31/347308031.db2.gz GLWRAZMACDDPPW-AWEZNQCLSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[NH+](CC)CC)C1CC1 ZINC000119819104 347308368 /nfs/dbraw/zinc/30/83/68/347308368.db2.gz GLWRAZMACDDPPW-CQSZACIVSA-N 2 2 224.392 2.663 20 30 BFEDLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594739962 348110439 /nfs/dbraw/zinc/11/04/39/348110439.db2.gz UXSAIYQCRNAWDX-UONOGXRCSA-N 2 2 249.402 2.581 20 30 BFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000595056899 348182874 /nfs/dbraw/zinc/18/28/74/348182874.db2.gz SFHVFXMEMGIONU-IHRRRGAJSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000595056899 348182876 /nfs/dbraw/zinc/18/28/76/348182876.db2.gz SFHVFXMEMGIONU-IHRRRGAJSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000284269456 353510641 /nfs/dbraw/zinc/51/06/41/353510641.db2.gz WUAPVOBWJRLDNM-CQSZACIVSA-N 2 2 234.387 2.725 20 30 BFEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccco1 ZINC000285553663 353546190 /nfs/dbraw/zinc/54/61/90/353546190.db2.gz GTUPPPOKTARZSS-CYBMUJFWSA-N 2 2 245.326 2.773 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289432611 353628444 /nfs/dbraw/zinc/62/84/44/353628444.db2.gz SEWZOAJRBLFIBL-HUUCEWRRSA-N 2 2 230.355 2.598 20 30 BFEDLP C=CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289432611 353628447 /nfs/dbraw/zinc/62/84/47/353628447.db2.gz SEWZOAJRBLFIBL-HUUCEWRRSA-N 2 2 230.355 2.598 20 30 BFEDLP C=CCCOCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289975770 353644672 /nfs/dbraw/zinc/64/46/72/353644672.db2.gz BXFWSSPPWZUNIY-UHFFFAOYSA-N 2 2 248.370 2.505 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346548827 354984232 /nfs/dbraw/zinc/98/42/32/354984232.db2.gz CNEHGTTUYANSQD-CQSZACIVSA-N 2 2 236.403 2.805 20 30 BFEDLP C[C@H](CCC#N)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000351617840 356030666 /nfs/dbraw/zinc/03/06/66/356030666.db2.gz ZWYHRHZBKXGMGC-CQSZACIVSA-N 2 2 249.402 2.629 20 30 BFEDLP C=CCCC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420394853 192237045 /nfs/dbraw/zinc/23/70/45/192237045.db2.gz SCGDZSJATHSPJR-LSDHHAIUSA-N 2 2 248.345 2.518 20 30 BFEDLP C=CCCC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420394853 192237047 /nfs/dbraw/zinc/23/70/47/192237047.db2.gz SCGDZSJATHSPJR-LSDHHAIUSA-N 2 2 248.345 2.518 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000582339417 357083817 /nfs/dbraw/zinc/08/38/17/357083817.db2.gz ZAPAPHCYAJQXGG-DZGCQCFKSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000582339417 357083819 /nfs/dbraw/zinc/08/38/19/357083819.db2.gz ZAPAPHCYAJQXGG-DZGCQCFKSA-N 2 2 236.403 2.663 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000126741730 358554681 /nfs/dbraw/zinc/55/46/81/358554681.db2.gz FZMTZVLVOKRRPO-AWEZNQCLSA-N 2 2 224.392 2.807 20 30 BFEDLP C=C(C)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000130759255 358642879 /nfs/dbraw/zinc/64/28/79/358642879.db2.gz KAOOFYJLJYULOS-ZBFHGGJFSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000130759255 358642883 /nfs/dbraw/zinc/64/28/83/358642883.db2.gz KAOOFYJLJYULOS-ZBFHGGJFSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000428373062 201011948 /nfs/dbraw/zinc/01/19/48/201011948.db2.gz KCUGLPSKMJNOOS-UHFFFAOYSA-N 2 2 233.340 2.552 20 30 BFEDLP C=CC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000428373062 201011951 /nfs/dbraw/zinc/01/19/51/201011951.db2.gz KCUGLPSKMJNOOS-UHFFFAOYSA-N 2 2 233.340 2.552 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272050 371452581 /nfs/dbraw/zinc/45/25/81/371452581.db2.gz UNSHOCUVMQSOJI-SOUVJXGZSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272050 371452584 /nfs/dbraw/zinc/45/25/84/371452584.db2.gz UNSHOCUVMQSOJI-SOUVJXGZSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309521288 385658364 /nfs/dbraw/zinc/65/83/64/385658364.db2.gz AOLYQOXINOZUAZ-QWHCGFSZSA-N 2 2 224.392 2.661 20 30 BFEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC000519715035 386534083 /nfs/dbraw/zinc/53/40/83/386534083.db2.gz XHTLNXSOANDCIB-ZIAGYGMSSA-N 2 2 237.391 2.531 20 30 BFEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC000519715035 386534089 /nfs/dbraw/zinc/53/40/89/386534089.db2.gz XHTLNXSOANDCIB-ZIAGYGMSSA-N 2 2 237.391 2.531 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)CC)CC1 ZINC000167400635 386763090 /nfs/dbraw/zinc/76/30/90/386763090.db2.gz QVYKBVWXZOZTCR-STQMWFEESA-N 2 2 224.392 2.661 20 30 BFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000192635586 387037915 /nfs/dbraw/zinc/03/79/15/387037915.db2.gz VDYZDCOGEFUMFY-HUUCEWRRSA-N 2 2 249.402 2.534 20 30 BFEDLP C=CCC[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000120040199 387176403 /nfs/dbraw/zinc/17/64/03/387176403.db2.gz BYSQVYBKXXIOLE-HNNXBMFYSA-N 2 2 236.403 2.807 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000274796723 387493222 /nfs/dbraw/zinc/49/32/22/387493222.db2.gz DHOJJVYPJQFDBP-KGLIPLIRSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000274796723 387493224 /nfs/dbraw/zinc/49/32/24/387493224.db2.gz DHOJJVYPJQFDBP-KGLIPLIRSA-N 2 2 233.359 2.732 20 30 BFEDLP CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000442643580 387813006 /nfs/dbraw/zinc/81/30/06/387813006.db2.gz GMFRSYUQNGXPDH-KBPBESRZSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423025372 387843320 /nfs/dbraw/zinc/84/33/20/387843320.db2.gz LOBFAWNJHQOALU-HOCLYGCPSA-N 2 2 244.382 2.820 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000423183244 387968542 /nfs/dbraw/zinc/96/85/42/387968542.db2.gz HLWUEAOEYJCAQD-CHWSQXEVSA-N 2 2 234.343 2.629 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000449320058 388172251 /nfs/dbraw/zinc/17/22/51/388172251.db2.gz LZRDFJOCUWKPPS-STQMWFEESA-N 2 2 212.381 2.661 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000449072316 388138770 /nfs/dbraw/zinc/13/87/70/388138770.db2.gz FALBKFBAUFYRET-ZIAGYGMSSA-N 2 2 235.375 2.996 20 30 BFEDLP C=C(C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000386743469 388576223 /nfs/dbraw/zinc/57/62/23/388576223.db2.gz DWSACHOCJIKRKB-UHFFFAOYSA-N 2 2 245.370 2.606 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000553781779 388789673 /nfs/dbraw/zinc/78/96/73/388789673.db2.gz PFQNXLKEGDRBGK-UHFFFAOYSA-N 2 2 236.403 2.805 20 30 BFEDLP C=C(C)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361071834 134203040 /nfs/dbraw/zinc/20/30/40/134203040.db2.gz ATVCYWHDMAXAMD-UHFFFAOYSA-N 2 2 247.386 2.951 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375929706 134241340 /nfs/dbraw/zinc/24/13/40/134241340.db2.gz CZIVYZZSVUOQDU-CYBMUJFWSA-N 2 2 233.359 2.566 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375929706 134241341 /nfs/dbraw/zinc/24/13/41/134241341.db2.gz CZIVYZZSVUOQDU-CYBMUJFWSA-N 2 2 233.359 2.566 20 30 BFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185775178 134394527 /nfs/dbraw/zinc/39/45/27/134394527.db2.gz KPKDDHYFUZOFRA-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337537382 135018911 /nfs/dbraw/zinc/01/89/11/135018911.db2.gz YUVWXLFVRZNMDX-CQSZACIVSA-N 2 2 234.387 2.559 20 30 BFEDLP C=C(C)C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000348130327 136038066 /nfs/dbraw/zinc/03/80/66/136038066.db2.gz CMBQJULNETXHMB-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=C(C)C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000348130327 136038067 /nfs/dbraw/zinc/03/80/67/136038067.db2.gz CMBQJULNETXHMB-UHFFFAOYSA-N 2 2 218.344 2.831 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658287754 487577480 /nfs/dbraw/zinc/57/74/80/487577480.db2.gz MTFGWPYWZNHLIX-MJBXVCDLSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658287754 487577491 /nfs/dbraw/zinc/57/74/91/487577491.db2.gz MTFGWPYWZNHLIX-MJBXVCDLSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266725267 166234467 /nfs/dbraw/zinc/23/44/67/166234467.db2.gz IHYNNHAFDJUBCE-UHFFFAOYSA-N 2 2 219.332 2.555 20 30 BFEDLP C=CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000276422470 166258844 /nfs/dbraw/zinc/25/88/44/166258844.db2.gz MQJFWOPOWLJJKL-UHFFFAOYSA-N 2 2 241.338 2.880 20 30 BFEDLP C=CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000276422470 166258845 /nfs/dbraw/zinc/25/88/45/166258845.db2.gz MQJFWOPOWLJJKL-UHFFFAOYSA-N 2 2 241.338 2.880 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000126753944 166301855 /nfs/dbraw/zinc/30/18/55/166301855.db2.gz LBKFXHQIGDVAIB-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000651694505 411136608 /nfs/dbraw/zinc/13/66/08/411136608.db2.gz GHOFBGGVEMMERR-ZIAGYGMSSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000651694505 411136609 /nfs/dbraw/zinc/13/66/09/411136609.db2.gz GHOFBGGVEMMERR-ZIAGYGMSSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000651694503 411136792 /nfs/dbraw/zinc/13/67/92/411136792.db2.gz GHOFBGGVEMMERR-KGLIPLIRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000651694503 411136793 /nfs/dbraw/zinc/13/67/93/411136793.db2.gz GHOFBGGVEMMERR-KGLIPLIRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000651707271 411137088 /nfs/dbraw/zinc/13/70/88/411137088.db2.gz DXUAJDYKZNFJEO-MGPQQGTHSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000651707271 411137089 /nfs/dbraw/zinc/13/70/89/411137089.db2.gz DXUAJDYKZNFJEO-MGPQQGTHSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000651708506 411137870 /nfs/dbraw/zinc/13/78/70/411137870.db2.gz SJYLEODJKNNLMB-BMFZPTHFSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000651708506 411137871 /nfs/dbraw/zinc/13/78/71/411137871.db2.gz SJYLEODJKNNLMB-BMFZPTHFSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000651735306 411139909 /nfs/dbraw/zinc/13/99/09/411139909.db2.gz MEGMICLNHPSBBG-LJISPDSOSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000651735306 411139910 /nfs/dbraw/zinc/13/99/10/411139910.db2.gz MEGMICLNHPSBBG-LJISPDSOSA-N 2 2 248.414 2.946 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000651735880 411140156 /nfs/dbraw/zinc/14/01/56/411140156.db2.gz FVNOXYZZJHAQRM-KNCOVGOOSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000651735880 411140157 /nfs/dbraw/zinc/14/01/57/411140157.db2.gz FVNOXYZZJHAQRM-KNCOVGOOSA-N 2 2 248.414 2.804 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657583049 411554829 /nfs/dbraw/zinc/55/48/29/411554829.db2.gz VQYXIWDQHYCMPP-HOCLYGCPSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657583049 411554830 /nfs/dbraw/zinc/55/48/30/411554830.db2.gz VQYXIWDQHYCMPP-HOCLYGCPSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657821802 411606955 /nfs/dbraw/zinc/60/69/55/411606955.db2.gz SXXYUDNESBWQTO-UONOGXRCSA-N 2 2 233.359 2.608 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000661115057 411712277 /nfs/dbraw/zinc/71/22/77/411712277.db2.gz OSAIRNRTQJBFJR-YPMHNXCESA-N 2 2 219.332 2.634 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309969259 487877433 /nfs/dbraw/zinc/87/74/33/487877433.db2.gz HUVXFGNOSVOLKI-GDBMZVCRSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309969259 487877437 /nfs/dbraw/zinc/87/74/37/487877437.db2.gz HUVXFGNOSVOLKI-GDBMZVCRSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573071 323186070 /nfs/dbraw/zinc/18/60/70/323186070.db2.gz FPMMEROKZUSJAH-UHFFFAOYSA-N 2 2 231.343 2.534 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131883976 325189485 /nfs/dbraw/zinc/18/94/85/325189485.db2.gz KNDUYPMBPFPENY-AWEZNQCLSA-N 2 2 232.327 2.501 20 30 BFEDLP C=CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131883976 325189487 /nfs/dbraw/zinc/18/94/87/325189487.db2.gz KNDUYPMBPFPENY-AWEZNQCLSA-N 2 2 232.327 2.501 20 30 BFEDLP C=CCCCCC[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667650421 488073090 /nfs/dbraw/zinc/07/30/90/488073090.db2.gz XDLHDQAKOCVHLC-UHFFFAOYSA-N 2 2 235.375 2.907 20 30 BFEDLP C=C(CC)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000358837736 534388983 /nfs/dbraw/zinc/38/89/83/534388983.db2.gz YYQOINNPSUJVQA-CQSZACIVSA-N 2 2 247.386 2.641 20 30 BFEDLP C=C(CC)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000358837736 534388990 /nfs/dbraw/zinc/38/89/90/534388990.db2.gz YYQOINNPSUJVQA-CQSZACIVSA-N 2 2 247.386 2.641 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000340429683 534553342 /nfs/dbraw/zinc/55/33/42/534553342.db2.gz MDZCVHYMLIVXKI-GXTWGEPZSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000340429683 534553347 /nfs/dbraw/zinc/55/33/47/534553347.db2.gz MDZCVHYMLIVXKI-GXTWGEPZSA-N 2 2 236.403 2.661 20 30 BFEDLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C[C@@H](C)C#N ZINC000353444117 535726699 /nfs/dbraw/zinc/72/66/99/535726699.db2.gz XRSVMNQBJPDJGP-ZDUSSCGKSA-N 2 2 245.370 2.804 20 30 BFEDLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@@H](C)C#N ZINC000353444117 535726700 /nfs/dbraw/zinc/72/67/00/535726700.db2.gz XRSVMNQBJPDJGP-ZDUSSCGKSA-N 2 2 245.370 2.804 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136735 583471889 /nfs/dbraw/zinc/47/18/89/583471889.db2.gz RBIZSAQGRXUVKI-LSDHHAIUSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136735 583471892 /nfs/dbraw/zinc/47/18/92/583471892.db2.gz RBIZSAQGRXUVKI-LSDHHAIUSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136735 583471894 /nfs/dbraw/zinc/47/18/94/583471894.db2.gz RBIZSAQGRXUVKI-LSDHHAIUSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136735 583471898 /nfs/dbraw/zinc/47/18/98/583471898.db2.gz RBIZSAQGRXUVKI-LSDHHAIUSA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903301137 584744425 /nfs/dbraw/zinc/74/44/25/584744425.db2.gz NNORASAZUPZIOS-RDBSUJKOSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301137 584744426 /nfs/dbraw/zinc/74/44/26/584744426.db2.gz NNORASAZUPZIOS-RDBSUJKOSA-N 2 2 224.392 2.804 20 30 BFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000774134990 585651292 /nfs/dbraw/zinc/65/12/92/585651292.db2.gz QIYXYSXNASWBKC-QLFBSQMISA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](N[NH+]=Cc1c[nH+]ccc1N(C)C)C(C)(C)C ZINC000793111750 586010278 /nfs/dbraw/zinc/01/02/78/586010278.db2.gz LSLVGNOEQSRFDV-NSHDSACASA-N 2 2 248.374 2.506 20 30 BFEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000824099635 587255552 /nfs/dbraw/zinc/25/55/52/587255552.db2.gz VMSGNRGJKYHCAO-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000824099635 587255553 /nfs/dbraw/zinc/25/55/53/587255553.db2.gz VMSGNRGJKYHCAO-WLYUNCDWSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000824099625 587255707 /nfs/dbraw/zinc/25/57/07/587255707.db2.gz VMSGNRGJKYHCAO-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000824099625 587255709 /nfs/dbraw/zinc/25/57/09/587255709.db2.gz VMSGNRGJKYHCAO-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873293777 590022953 /nfs/dbraw/zinc/02/29/53/590022953.db2.gz NXNZWBXNPZAJEG-XJKSGUPXSA-N 2 2 244.382 2.645 20 30 BFEDLP C#CCCCCCC[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000877154393 590293649 /nfs/dbraw/zinc/29/36/49/590293649.db2.gz PILBBCRJYLSRQY-HNNXBMFYSA-N 2 2 236.403 2.502 20 30 BFEDLP C#CCCCCCC[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000877154393 590293651 /nfs/dbraw/zinc/29/36/51/590293651.db2.gz PILBBCRJYLSRQY-HNNXBMFYSA-N 2 2 236.403 2.502 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252858 590529427 /nfs/dbraw/zinc/52/94/27/590529427.db2.gz XBXZOANFEVODFW-RYUDHWBXSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252858 590529429 /nfs/dbraw/zinc/52/94/29/590529429.db2.gz XBXZOANFEVODFW-RYUDHWBXSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252859 590529521 /nfs/dbraw/zinc/52/95/21/590529521.db2.gz XBXZOANFEVODFW-VXGBXAGGSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252859 590529523 /nfs/dbraw/zinc/52/95/23/590529523.db2.gz XBXZOANFEVODFW-VXGBXAGGSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282033 590532789 /nfs/dbraw/zinc/53/27/89/590532789.db2.gz PNLCUXHNGGXWSA-HZSPNIEDSA-N 2 2 233.359 2.731 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282033 590532791 /nfs/dbraw/zinc/53/27/91/590532791.db2.gz PNLCUXHNGGXWSA-HZSPNIEDSA-N 2 2 233.359 2.731 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924983108 635823033 /nfs/dbraw/zinc/82/30/33/635823033.db2.gz BKGKQQBQBVKBAF-LZWOXQAQSA-N 2 2 246.398 2.581 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924983109 635823327 /nfs/dbraw/zinc/82/33/27/635823327.db2.gz BKGKQQBQBVKBAF-SQWLQELKSA-N 2 2 246.398 2.581 20 30 BFEDLP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000925692363 634323216 /nfs/dbraw/zinc/32/32/16/634323216.db2.gz JWWSAKASZBDNCS-JSGCOSHPSA-N 2 2 245.370 2.604 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926568501 645287902 /nfs/dbraw/zinc/28/79/02/645287902.db2.gz MPFSZJVBUCPMKM-UONOGXRCSA-N 2 2 249.402 2.533 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926568501 645287912 /nfs/dbraw/zinc/28/79/12/645287912.db2.gz MPFSZJVBUCPMKM-UONOGXRCSA-N 2 2 249.402 2.533 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926351716 646623667 /nfs/dbraw/zinc/62/36/67/646623667.db2.gz SBCFOOCTVRPIRO-SOUVJXGZSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926351716 646623669 /nfs/dbraw/zinc/62/36/69/646623669.db2.gz SBCFOOCTVRPIRO-SOUVJXGZSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209432450 969504737 /nfs/dbraw/zinc/50/47/37/969504737.db2.gz FGXYXPBLRYJZCK-HUUCEWRRSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209432450 969504747 /nfs/dbraw/zinc/50/47/47/969504747.db2.gz FGXYXPBLRYJZCK-HUUCEWRRSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209432450 969504754 /nfs/dbraw/zinc/50/47/54/969504754.db2.gz FGXYXPBLRYJZCK-HUUCEWRRSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209432450 969504762 /nfs/dbraw/zinc/50/47/62/969504762.db2.gz FGXYXPBLRYJZCK-HUUCEWRRSA-N 2 2 236.403 2.759 20 30 BFEDLP C=CC[N@H+](C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC001256081782 970650655 /nfs/dbraw/zinc/65/06/55/970650655.db2.gz MTMRYUHABVOTNT-UHFFFAOYSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CC[N@@H+](C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC001256081782 970650660 /nfs/dbraw/zinc/65/06/60/970650660.db2.gz MTMRYUHABVOTNT-UHFFFAOYSA-N 2 2 236.403 2.900 20 30 BFEDLP C=CCCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191373 972401760 /nfs/dbraw/zinc/40/17/60/972401760.db2.gz LOCRUZZSNADXCY-HNNXBMFYSA-N 2 2 236.403 2.951 20 30 BFEDLP C=CCCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191373 972401770 /nfs/dbraw/zinc/40/17/70/972401770.db2.gz LOCRUZZSNADXCY-HNNXBMFYSA-N 2 2 236.403 2.951 20 30 BFEDLP CCC(C#N)(CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312373 964417059 /nfs/dbraw/zinc/41/70/59/964417059.db2.gz STWXVOHJAZMBLU-UHFFFAOYSA-N 2 2 237.391 2.531 20 30 BFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCCCn1cc[nH+]c1 ZINC000829180427 968821480 /nfs/dbraw/zinc/82/14/80/968821480.db2.gz UMGFCQIDFHMLIG-ZDUSSCGKSA-N 2 2 248.374 2.581 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246799455 973104747 /nfs/dbraw/zinc/10/47/47/973104747.db2.gz ZJYLYBBSFQAYSD-ZBFHGGJFSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246799455 973104770 /nfs/dbraw/zinc/10/47/70/973104770.db2.gz ZJYLYBBSFQAYSD-ZBFHGGJFSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC001235445902 979046176 /nfs/dbraw/zinc/04/61/76/979046176.db2.gz VOIRAYDHEUNAJY-INIZCTEOSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC001235445902 979046181 /nfs/dbraw/zinc/04/61/81/979046181.db2.gz VOIRAYDHEUNAJY-INIZCTEOSA-N 2 2 244.382 2.908 20 30 BFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201797951 983478445 /nfs/dbraw/zinc/47/84/45/983478445.db2.gz IDGYFXSFPTTXLB-LSDHHAIUSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201797951 983478449 /nfs/dbraw/zinc/47/84/49/983478449.db2.gz IDGYFXSFPTTXLB-LSDHHAIUSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201797951 983478451 /nfs/dbraw/zinc/47/84/51/983478451.db2.gz IDGYFXSFPTTXLB-LSDHHAIUSA-N 2 2 238.419 2.983 20 30 BFEDLP CCCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201797951 983478453 /nfs/dbraw/zinc/47/84/53/983478453.db2.gz IDGYFXSFPTTXLB-LSDHHAIUSA-N 2 2 238.419 2.983 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246799452 988480249 /nfs/dbraw/zinc/48/02/49/988480249.db2.gz ZJYLYBBSFQAYSD-GDBMZVCRSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246799452 988480254 /nfs/dbraw/zinc/48/02/54/988480254.db2.gz ZJYLYBBSFQAYSD-GDBMZVCRSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+](C)CCCC ZINC000380329983 993326297 /nfs/dbraw/zinc/32/62/97/993326297.db2.gz NTBKAWSPYHURON-ZDUSSCGKSA-N 2 2 212.381 2.663 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CC[N@H+](C)CCCC ZINC000380329983 993326304 /nfs/dbraw/zinc/32/63/04/993326304.db2.gz NTBKAWSPYHURON-ZDUSSCGKSA-N 2 2 212.381 2.663 20 30 BFEDLP C=C(C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423023797 398163291 /nfs/dbraw/zinc/16/32/91/398163291.db2.gz IBDLLNWWHSAGPU-CVEARBPZSA-N 2 2 244.382 2.820 20 30 BFEDLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602515155 349573011 /nfs/dbraw/zinc/57/30/11/349573011.db2.gz NMQYINJIQOZMTN-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602515155 349573015 /nfs/dbraw/zinc/57/30/15/349573015.db2.gz NMQYINJIQOZMTN-NFOMZHRRSA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000602712562 349704863 /nfs/dbraw/zinc/70/48/63/349704863.db2.gz UYZSNSHYSYUFBI-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000602712562 349704867 /nfs/dbraw/zinc/70/48/67/349704867.db2.gz UYZSNSHYSYUFBI-RBSFLKMASA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCCCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580565663 365784942 /nfs/dbraw/zinc/78/49/42/365784942.db2.gz LBNGHPAYVLTTNK-CQSZACIVSA-N 2 2 247.386 2.956 20 30 BFEDLP C=CCCCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580565663 365784947 /nfs/dbraw/zinc/78/49/47/365784947.db2.gz LBNGHPAYVLTTNK-CQSZACIVSA-N 2 2 247.386 2.956 20 30 BFEDLP C[N@H+](CCCn1cc[nH+]c1)CCCC(C)(C)C#N ZINC000119744940 344536099 /nfs/dbraw/zinc/53/60/99/344536099.db2.gz DIZFOAIVNVBBNY-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP C[N@@H+](CCCn1cc[nH+]c1)CCCC(C)(C)C#N ZINC000119744940 344536102 /nfs/dbraw/zinc/53/61/02/344536102.db2.gz DIZFOAIVNVBBNY-UHFFFAOYSA-N 2 2 248.374 2.535 20 30 BFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136096456 345475884 /nfs/dbraw/zinc/47/58/84/345475884.db2.gz XWGAGOWSFCDFHJ-PWSUYJOCSA-N 2 2 239.750 2.519 20 30 BFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136096456 345475887 /nfs/dbraw/zinc/47/58/87/345475887.db2.gz XWGAGOWSFCDFHJ-PWSUYJOCSA-N 2 2 239.750 2.519 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449227923 201842269 /nfs/dbraw/zinc/84/22/69/201842269.db2.gz WQJZIQZFVLVRCH-OLZOCXBDSA-N 2 2 212.381 2.661 20 30 BFEDLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594739960 348110611 /nfs/dbraw/zinc/11/06/11/348110611.db2.gz UXSAIYQCRNAWDX-KBPBESRZSA-N 2 2 249.402 2.581 20 30 BFEDLP CC[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000596651790 348606422 /nfs/dbraw/zinc/60/64/22/348606422.db2.gz NTZSXMPOBVCHLW-KBPBESRZSA-N 2 2 249.402 2.581 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000117878463 350229299 /nfs/dbraw/zinc/22/92/99/350229299.db2.gz ZFNUOOOJGUJRCT-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000117878463 350229303 /nfs/dbraw/zinc/22/93/03/350229303.db2.gz ZFNUOOOJGUJRCT-HNNXBMFYSA-N 2 2 236.403 2.903 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336738689 352144986 /nfs/dbraw/zinc/14/49/86/352144986.db2.gz OLYXXLLHANBIGE-FRRDWIJNSA-N 2 2 222.376 2.556 20 30 BFEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336738689 352144988 /nfs/dbraw/zinc/14/49/88/352144988.db2.gz OLYXXLLHANBIGE-FRRDWIJNSA-N 2 2 222.376 2.556 20 30 BFEDLP C#C[C@@H]([NH2+]CCCc1c[nH+]ccc1C)C(C)C ZINC000289619282 353622147 /nfs/dbraw/zinc/62/21/47/353622147.db2.gz WGNJIJDYYMQNTI-OAHLLOKOSA-N 2 2 230.355 2.570 20 30 BFEDLP C=CC[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639595097 356514775 /nfs/dbraw/zinc/51/47/75/356514775.db2.gz DJKKWJRGOCMUDR-UHFFFAOYSA-N 2 2 204.317 2.625 20 30 BFEDLP C=CC[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639595097 356514779 /nfs/dbraw/zinc/51/47/79/356514779.db2.gz DJKKWJRGOCMUDR-UHFFFAOYSA-N 2 2 204.317 2.625 20 30 BFEDLP C=CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481037 134161752 /nfs/dbraw/zinc/16/17/52/134161752.db2.gz FIVYRZXTIVIDSG-UHFFFAOYSA-N 2 2 244.382 2.769 20 30 BFEDLP C=CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481037 134161753 /nfs/dbraw/zinc/16/17/53/134161753.db2.gz FIVYRZXTIVIDSG-UHFFFAOYSA-N 2 2 244.382 2.769 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189115622 357615728 /nfs/dbraw/zinc/61/57/28/357615728.db2.gz RGTUJKPLONVVPN-OAHLLOKOSA-N 2 2 248.414 2.949 20 30 BFEDLP C=C(C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000130759093 358643038 /nfs/dbraw/zinc/64/30/38/358643038.db2.gz KAOOFYJLJYULOS-HOCLYGCPSA-N 2 2 244.382 2.988 20 30 BFEDLP C=C(C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000130759093 358643041 /nfs/dbraw/zinc/64/30/41/358643041.db2.gz KAOOFYJLJYULOS-HOCLYGCPSA-N 2 2 244.382 2.988 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000578720601 366631116 /nfs/dbraw/zinc/63/11/16/366631116.db2.gz DCIQBJVVEIXNPC-ZFWWWQNUSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000578720601 366631118 /nfs/dbraw/zinc/63/11/18/366631118.db2.gz DCIQBJVVEIXNPC-ZFWWWQNUSA-N 2 2 236.403 2.948 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003410 360052440 /nfs/dbraw/zinc/05/24/40/360052440.db2.gz MYMVNDAUBYYWBL-CQSZACIVSA-N 2 2 247.386 2.641 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003410 360052446 /nfs/dbraw/zinc/05/24/46/360052446.db2.gz MYMVNDAUBYYWBL-CQSZACIVSA-N 2 2 247.386 2.641 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000574466228 365071556 /nfs/dbraw/zinc/07/15/56/365071556.db2.gz UXJJEIMNKBQVMS-AWEZNQCLSA-N 2 2 234.387 2.559 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000574466232 365070941 /nfs/dbraw/zinc/07/09/41/365070941.db2.gz UXJJEIMNKBQVMS-CQSZACIVSA-N 2 2 234.387 2.559 20 30 BFEDLP C=C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358313339 366872666 /nfs/dbraw/zinc/87/26/66/366872666.db2.gz CWNYQQJBGLWPCY-IJEWVQPXSA-N 2 2 244.382 2.671 20 30 BFEDLP C=C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358313339 366872669 /nfs/dbraw/zinc/87/26/69/366872669.db2.gz CWNYQQJBGLWPCY-IJEWVQPXSA-N 2 2 244.382 2.671 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272047 371453525 /nfs/dbraw/zinc/45/35/25/371453525.db2.gz UNSHOCUVMQSOJI-ILXRZTDVSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272047 371453529 /nfs/dbraw/zinc/45/35/29/371453529.db2.gz UNSHOCUVMQSOJI-ILXRZTDVSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536367728 384746672 /nfs/dbraw/zinc/74/66/72/384746672.db2.gz CSQATRVEUVMNKV-UHFFFAOYSA-N 2 2 245.370 2.924 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000427900161 385348409 /nfs/dbraw/zinc/34/84/09/385348409.db2.gz YBCSFAYGSOUXNP-ZIAGYGMSSA-N 2 2 245.370 2.532 20 30 BFEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309521284 385659806 /nfs/dbraw/zinc/65/98/06/385659806.db2.gz AOLYQOXINOZUAZ-OLZOCXBDSA-N 2 2 224.392 2.661 20 30 BFEDLP C=C(C)CC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347274412 386313698 /nfs/dbraw/zinc/31/36/98/386313698.db2.gz ARMDCKJWVKPAAP-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)CC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347274412 386313703 /nfs/dbraw/zinc/31/37/03/386313703.db2.gz ARMDCKJWVKPAAP-KGLIPLIRSA-N 2 2 222.376 2.511 20 30 BFEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000442712327 386530092 /nfs/dbraw/zinc/53/00/92/386530092.db2.gz GEZGBEKLSRVEOV-KBUPBQIOSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000442712327 386530095 /nfs/dbraw/zinc/53/00/95/386530095.db2.gz GEZGBEKLSRVEOV-KBUPBQIOSA-N 2 2 249.402 2.531 20 30 BFEDLP C=C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123181312 386534885 /nfs/dbraw/zinc/53/48/85/386534885.db2.gz PMSMJADAIWAUSF-GFCCVEGCSA-N 2 2 227.311 2.536 20 30 BFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831282 386710597 /nfs/dbraw/zinc/71/05/97/386710597.db2.gz MZYAGQVVQDYPFQ-GXTWGEPZSA-N 2 2 218.344 2.631 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000527923247 387791203 /nfs/dbraw/zinc/79/12/03/387791203.db2.gz CZKYVTDGMDPOSS-JSGCOSHPSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000527923247 387791210 /nfs/dbraw/zinc/79/12/10/387791210.db2.gz CZKYVTDGMDPOSS-JSGCOSHPSA-N 2 2 236.403 2.661 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000648432406 387842226 /nfs/dbraw/zinc/84/22/26/387842226.db2.gz GQSIMXBHBNKJGT-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000648432406 387842232 /nfs/dbraw/zinc/84/22/32/387842232.db2.gz GQSIMXBHBNKJGT-KBPBESRZSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242495 388026124 /nfs/dbraw/zinc/02/61/24/388026124.db2.gz MBBXXZXUFSPECI-GZBFAFLISA-N 2 2 232.371 2.877 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423245969 388027586 /nfs/dbraw/zinc/02/75/86/388027586.db2.gz YZMDFZACJAJOIF-OLZOCXBDSA-N 2 2 234.343 2.629 20 30 BFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000423245971 388030685 /nfs/dbraw/zinc/03/06/85/388030685.db2.gz YZMDFZACJAJOIF-QWHCGFSZSA-N 2 2 234.343 2.629 20 30 BFEDLP C=CCC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccco1 ZINC000423283513 388064728 /nfs/dbraw/zinc/06/47/28/388064728.db2.gz FKZKFIXSAVUXEE-LLVKDONJSA-N 2 2 222.332 2.614 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449336654 388174958 /nfs/dbraw/zinc/17/49/58/388174958.db2.gz ODAHJOZUVYYBLH-STQMWFEESA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449336654 388174960 /nfs/dbraw/zinc/17/49/60/388174960.db2.gz ODAHJOZUVYYBLH-STQMWFEESA-N 2 2 247.386 2.992 20 30 BFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449072314 388139309 /nfs/dbraw/zinc/13/93/09/388139309.db2.gz FALBKFBAUFYRET-KGLIPLIRSA-N 2 2 235.375 2.996 20 30 BFEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+](C)C1CC1 ZINC000449134748 388146778 /nfs/dbraw/zinc/14/67/78/388146778.db2.gz LCQRNVCGPFQZHS-DNOWBOINSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+](C)C1CC1 ZINC000449134748 388146780 /nfs/dbraw/zinc/14/67/80/388146780.db2.gz LCQRNVCGPFQZHS-DNOWBOINSA-N 2 2 249.402 2.531 20 30 BFEDLP C[NH+](C)CC(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000308635339 388446232 /nfs/dbraw/zinc/44/62/32/388446232.db2.gz IJOSSLRSTURITH-UHFFFAOYSA-N 2 2 239.407 2.636 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154650259 388642884 /nfs/dbraw/zinc/64/28/84/388642884.db2.gz KDEOTQNPKOGGPN-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154650259 388642885 /nfs/dbraw/zinc/64/28/85/388642885.db2.gz KDEOTQNPKOGGPN-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000552252292 388686962 /nfs/dbraw/zinc/68/69/62/388686962.db2.gz HRHHOHGXFUZOPN-HUUCEWRRSA-N 2 2 236.403 2.661 20 30 BFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352030343 134044678 /nfs/dbraw/zinc/04/46/78/134044678.db2.gz VHMJPZJRVWEIEP-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352030343 134044679 /nfs/dbraw/zinc/04/46/79/134044679.db2.gz VHMJPZJRVWEIEP-OAHLLOKOSA-N 2 2 236.403 2.903 20 30 BFEDLP Cc1ccc(CCC[N@@H+](C)[C@H](C)CC#N)c[nH+]1 ZINC000353651294 134164907 /nfs/dbraw/zinc/16/49/07/134164907.db2.gz CENJKXMLGQLLMO-CYBMUJFWSA-N 2 2 231.343 2.557 20 30 BFEDLP Cc1ccc(CCC[N@H+](C)[C@H](C)CC#N)c[nH+]1 ZINC000353651294 134164908 /nfs/dbraw/zinc/16/49/08/134164908.db2.gz CENJKXMLGQLLMO-CYBMUJFWSA-N 2 2 231.343 2.557 20 30 BFEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361466261 134205458 /nfs/dbraw/zinc/20/54/58/134205458.db2.gz OXJCRUWIKNWZIX-KFWWJZLASA-N 2 2 249.402 2.533 20 30 BFEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361466261 134205459 /nfs/dbraw/zinc/20/54/59/134205459.db2.gz OXJCRUWIKNWZIX-KFWWJZLASA-N 2 2 249.402 2.533 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000367995925 134216718 /nfs/dbraw/zinc/21/67/18/134216718.db2.gz OHXCKEUBFBCEIR-OLZOCXBDSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000367995925 134216719 /nfs/dbraw/zinc/21/67/19/134216719.db2.gz OHXCKEUBFBCEIR-OLZOCXBDSA-N 2 2 245.370 2.601 20 30 BFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172178926 134262395 /nfs/dbraw/zinc/26/23/95/134262395.db2.gz GIPBIPDTMKMDGD-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172178926 134262396 /nfs/dbraw/zinc/26/23/96/134262396.db2.gz GIPBIPDTMKMDGD-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000337537378 135018919 /nfs/dbraw/zinc/01/89/19/135018919.db2.gz YUVWXLFVRZNMDX-AWEZNQCLSA-N 2 2 234.387 2.559 20 30 BFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337986395 135027941 /nfs/dbraw/zinc/02/79/41/135027941.db2.gz CENHNLRMIJUGRL-HZPDHXFCSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000338570216 135040700 /nfs/dbraw/zinc/04/07/00/135040700.db2.gz ZTBDIJDHOCIKFQ-UHFFFAOYSA-N 2 2 247.386 2.951 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)CC#N ZINC000347771117 136008634 /nfs/dbraw/zinc/00/86/34/136008634.db2.gz IHXXAPQSAOGZSU-CYBMUJFWSA-N 2 2 231.343 2.557 20 30 BFEDLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)CC#N ZINC000347771117 136008635 /nfs/dbraw/zinc/00/86/35/136008635.db2.gz IHXXAPQSAOGZSU-CYBMUJFWSA-N 2 2 231.343 2.557 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658287752 487577658 /nfs/dbraw/zinc/57/76/58/487577658.db2.gz MTFGWPYWZNHLIX-IHRRRGAJSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658287752 487577662 /nfs/dbraw/zinc/57/76/62/487577662.db2.gz MTFGWPYWZNHLIX-IHRRRGAJSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658287751 487577839 /nfs/dbraw/zinc/57/78/39/487577839.db2.gz MTFGWPYWZNHLIX-BFHYXJOUSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658287751 487577844 /nfs/dbraw/zinc/57/78/44/487577844.db2.gz MTFGWPYWZNHLIX-BFHYXJOUSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000651749673 411140738 /nfs/dbraw/zinc/14/07/38/411140738.db2.gz FPMAHXQVPQEZDF-CABCVRRESA-N 2 2 236.403 2.807 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658097608 411244503 /nfs/dbraw/zinc/24/45/03/411244503.db2.gz YACFORXJJCVZSO-QWHCGFSZSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658097608 411244506 /nfs/dbraw/zinc/24/45/06/411244506.db2.gz YACFORXJJCVZSO-QWHCGFSZSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CCC)C1)C1CC1 ZINC000658284384 411322734 /nfs/dbraw/zinc/32/27/34/411322734.db2.gz FZMMQPQEFCALQR-HUUCEWRRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000658284384 411322738 /nfs/dbraw/zinc/32/27/38/411322738.db2.gz FZMMQPQEFCALQR-HUUCEWRRSA-N 2 2 236.403 2.805 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658287452 411323646 /nfs/dbraw/zinc/32/36/46/411323646.db2.gz INILPEUOVJZYRK-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658287452 411323648 /nfs/dbraw/zinc/32/36/48/411323648.db2.gz INILPEUOVJZYRK-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658287454 411323834 /nfs/dbraw/zinc/32/38/34/411323834.db2.gz INILPEUOVJZYRK-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658287454 411323838 /nfs/dbraw/zinc/32/38/38/411323838.db2.gz INILPEUOVJZYRK-UONOGXRCSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657428315 411505285 /nfs/dbraw/zinc/50/52/85/411505285.db2.gz HWKGUIAGKGEYFH-GFCCVEGCSA-N 2 2 233.359 2.664 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000657741022 411588807 /nfs/dbraw/zinc/58/88/07/411588807.db2.gz AAKIOPFISGRYOS-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CCC)C2)C1 ZINC000657741022 411588809 /nfs/dbraw/zinc/58/88/09/411588809.db2.gz AAKIOPFISGRYOS-RBSFLKMASA-N 2 2 236.403 2.805 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000657825772 411607716 /nfs/dbraw/zinc/60/77/16/411607716.db2.gz PLIMPINZSIILBR-HUUCEWRRSA-N 2 2 236.403 2.807 20 30 BFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000657871027 411614208 /nfs/dbraw/zinc/61/42/08/411614208.db2.gz IIRJNZVIQMVTBZ-BFHYXJOUSA-N 2 2 224.392 2.661 20 30 BFEDLP C=CCC1([NH2+]C[C@H]2CCC[N@H+]2C)CCCC1 ZINC000661850556 411900799 /nfs/dbraw/zinc/90/07/99/411900799.db2.gz JSOLETABKAHYGE-CYBMUJFWSA-N 2 2 222.376 2.559 20 30 BFEDLP C=CCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCCC1 ZINC000661850556 411900802 /nfs/dbraw/zinc/90/08/02/411900802.db2.gz JSOLETABKAHYGE-CYBMUJFWSA-N 2 2 222.376 2.559 20 30 BFEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C[N@@H+]1C1CC1 ZINC000151056008 323007217 /nfs/dbraw/zinc/00/72/17/323007217.db2.gz KRZWQKJSGMZQSC-QWHCGFSZSA-N 2 2 249.402 2.531 20 30 BFEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C[N@H+]1C1CC1 ZINC000151056008 323007218 /nfs/dbraw/zinc/00/72/18/323007218.db2.gz KRZWQKJSGMZQSC-QWHCGFSZSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000121018648 324000568 /nfs/dbraw/zinc/00/05/68/324000568.db2.gz RHAVMTHGICTPDK-WFASDCNBSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000121018648 324000570 /nfs/dbraw/zinc/00/05/70/324000570.db2.gz RHAVMTHGICTPDK-WFASDCNBSA-N 2 2 236.403 2.804 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546572664 325287093 /nfs/dbraw/zinc/28/70/93/325287093.db2.gz KGHMQFUBXVETGQ-HNNXBMFYSA-N 2 2 236.403 2.973 20 30 BFEDLP C=CCC[C@H](CC)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546572664 325287097 /nfs/dbraw/zinc/28/70/97/325287097.db2.gz KGHMQFUBXVETGQ-HNNXBMFYSA-N 2 2 236.403 2.973 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546572673 325287201 /nfs/dbraw/zinc/28/72/01/325287201.db2.gz KGHMQFUBXVETGQ-OAHLLOKOSA-N 2 2 236.403 2.973 20 30 BFEDLP C=CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546572673 325287203 /nfs/dbraw/zinc/28/72/03/325287203.db2.gz KGHMQFUBXVETGQ-OAHLLOKOSA-N 2 2 236.403 2.973 20 30 BFEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1cccs1 ZINC000163261894 326242420 /nfs/dbraw/zinc/24/24/20/326242420.db2.gz GRRDSMJECXCZPT-UHFFFAOYSA-N 2 2 247.367 2.633 20 30 BFEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1cccs1 ZINC000163261894 326242423 /nfs/dbraw/zinc/24/24/23/326242423.db2.gz GRRDSMJECXCZPT-UHFFFAOYSA-N 2 2 247.367 2.633 20 30 BFEDLP C=C(CC)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000358621698 534381595 /nfs/dbraw/zinc/38/15/95/534381595.db2.gz ZIYYMEKUDRVDJS-UHFFFAOYSA-N 2 2 219.332 2.555 20 30 BFEDLP C=C(CC)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358639596 534396808 /nfs/dbraw/zinc/39/68/08/534396808.db2.gz ZPCNMHSIGHYVQF-KBPBESRZSA-N 2 2 233.359 2.732 20 30 BFEDLP C=C(CC)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358639596 534396817 /nfs/dbraw/zinc/39/68/17/534396817.db2.gz ZPCNMHSIGHYVQF-KBPBESRZSA-N 2 2 233.359 2.732 20 30 BFEDLP C=CCCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367861746 534721071 /nfs/dbraw/zinc/72/10/71/534721071.db2.gz CQWOGKLMGBGQJY-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367861746 534721076 /nfs/dbraw/zinc/72/10/76/534721076.db2.gz CQWOGKLMGBGQJY-KBPBESRZSA-N 2 2 222.376 2.511 20 30 BFEDLP CCCCCCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000107455469 582951461 /nfs/dbraw/zinc/95/14/61/582951461.db2.gz MLJWAXAEWAUGJW-CYBMUJFWSA-N 2 2 212.381 2.641 20 30 BFEDLP CCCCCCC[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000107455469 582951465 /nfs/dbraw/zinc/95/14/65/582951465.db2.gz MLJWAXAEWAUGJW-CYBMUJFWSA-N 2 2 212.381 2.641 20 30 BFEDLP C=CC[NH+]1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902796275 584674244 /nfs/dbraw/zinc/67/42/44/584674244.db2.gz OOIHMKXVKLHMMI-KBPBESRZSA-N 2 2 248.414 2.805 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903299390 584743099 /nfs/dbraw/zinc/74/30/99/584743099.db2.gz ARXHNAXFSZXVPU-MELADBBJSA-N 2 2 224.392 2.804 20 30 BFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903299390 584743100 /nfs/dbraw/zinc/74/31/00/584743100.db2.gz ARXHNAXFSZXVPU-MELADBBJSA-N 2 2 224.392 2.804 20 30 BFEDLP CC[NH+](CC)CCC[N@H+](CCC#N)CC(C)C ZINC000755002397 585293104 /nfs/dbraw/zinc/29/31/04/585293104.db2.gz MIHBGMVZXHQJMS-UHFFFAOYSA-N 2 2 239.407 2.590 20 30 BFEDLP CC[NH+](CC)CCC[N@@H+](CCC#N)CC(C)C ZINC000755002397 585293105 /nfs/dbraw/zinc/29/31/05/585293105.db2.gz MIHBGMVZXHQJMS-UHFFFAOYSA-N 2 2 239.407 2.590 20 30 BFEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000774134988 585651398 /nfs/dbraw/zinc/65/13/98/585651398.db2.gz QIYXYSXNASWBKC-ILXRZTDVSA-N 2 2 249.402 2.533 20 30 BFEDLP CCCCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859308675 589029644 /nfs/dbraw/zinc/02/96/44/589029644.db2.gz ORZZIBJYRMUPCS-UHFFFAOYSA-N 2 2 221.348 2.738 20 30 BFEDLP CCCCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859308675 589029645 /nfs/dbraw/zinc/02/96/45/589029645.db2.gz ORZZIBJYRMUPCS-UHFFFAOYSA-N 2 2 221.348 2.738 20 30 BFEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976361 586860631 /nfs/dbraw/zinc/86/06/31/586860631.db2.gz KQYIUTCKBHPQKZ-IHRRRGAJSA-N 2 2 242.382 2.801 20 30 BFEDLP CCCCCCC[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000107455464 588365996 /nfs/dbraw/zinc/36/59/96/588365996.db2.gz MLJWAXAEWAUGJW-ZDUSSCGKSA-N 2 2 212.381 2.641 20 30 BFEDLP CCCCCCC[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000107455464 588365998 /nfs/dbraw/zinc/36/59/98/588365998.db2.gz MLJWAXAEWAUGJW-ZDUSSCGKSA-N 2 2 212.381 2.641 20 30 BFEDLP Cc1cc[nH+]c(N)c1C=[NH+]OC1CCCCC1 ZINC000872365851 589921404 /nfs/dbraw/zinc/92/14/04/589921404.db2.gz HSTWRDFANFPGES-UHFFFAOYSA-N 2 2 233.315 2.655 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000126773987 590442761 /nfs/dbraw/zinc/44/27/61/590442761.db2.gz PKPHFZNYKQBELH-KGLIPLIRSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000126773491 590442946 /nfs/dbraw/zinc/44/29/46/590442946.db2.gz PKPHFZNYKQBELH-ZIAGYGMSSA-N 2 2 224.392 2.805 20 30 BFEDLP C=CC[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172807 590515081 /nfs/dbraw/zinc/51/50/81/590515081.db2.gz MMYXMPWLGSFAHK-LLVKDONJSA-N 2 2 219.332 2.554 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282035 590532956 /nfs/dbraw/zinc/53/29/56/590532956.db2.gz PNLCUXHNGGXWSA-MELADBBJSA-N 2 2 233.359 2.731 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282035 590532958 /nfs/dbraw/zinc/53/29/58/590532958.db2.gz PNLCUXHNGGXWSA-MELADBBJSA-N 2 2 233.359 2.731 20 30 BFEDLP C=CC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282034 590533300 /nfs/dbraw/zinc/53/33/00/590533300.db2.gz PNLCUXHNGGXWSA-IHRRRGAJSA-N 2 2 233.359 2.731 20 30 BFEDLP C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282034 590533303 /nfs/dbraw/zinc/53/33/03/590533303.db2.gz PNLCUXHNGGXWSA-IHRRRGAJSA-N 2 2 233.359 2.731 20 30 BFEDLP CC1([NH+]2CCCCC2)CC[NH+](CCCC#N)CC1 ZINC000879947602 590893829 /nfs/dbraw/zinc/89/38/29/590893829.db2.gz JSOQEKZHVUBMMH-UHFFFAOYSA-N 2 2 249.402 2.631 20 30 BFEDLP C=CCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880142895 590941193 /nfs/dbraw/zinc/94/11/93/590941193.db2.gz VSQCUGXIFWXMTC-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880142895 590941195 /nfs/dbraw/zinc/94/11/95/590941195.db2.gz VSQCUGXIFWXMTC-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880142895 590941197 /nfs/dbraw/zinc/94/11/97/590941197.db2.gz VSQCUGXIFWXMTC-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=CCCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880142895 590941199 /nfs/dbraw/zinc/94/11/99/590941199.db2.gz VSQCUGXIFWXMTC-UONOGXRCSA-N 2 2 222.376 2.511 20 30 BFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)co2)CC1 ZINC000885972423 592118913 /nfs/dbraw/zinc/11/89/13/592118913.db2.gz BZYHWRQFTKNGDD-UHFFFAOYSA-N 2 2 248.370 2.718 20 30 BFEDLP C=CCCC[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000934646996 641232793 /nfs/dbraw/zinc/23/27/93/641232793.db2.gz QUTINBIPUAFFOX-UHFFFAOYSA-N 2 2 221.348 2.561 20 30 BFEDLP C=CCCC[N@H+](CC)CCCn1cc[nH+]c1 ZINC000934646996 641232800 /nfs/dbraw/zinc/23/28/00/641232800.db2.gz QUTINBIPUAFFOX-UHFFFAOYSA-N 2 2 221.348 2.561 20 30 BFEDLP C#CCC1([NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC000933296108 642501457 /nfs/dbraw/zinc/50/14/57/642501457.db2.gz BPWQHXOFOAZSCW-HNNXBMFYSA-N 2 2 248.414 2.785 20 30 BFEDLP C#CCC1([NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC000933296108 642501466 /nfs/dbraw/zinc/50/14/66/642501466.db2.gz BPWQHXOFOAZSCW-HNNXBMFYSA-N 2 2 248.414 2.785 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926568499 645286975 /nfs/dbraw/zinc/28/69/75/645286975.db2.gz MPFSZJVBUCPMKM-KBPBESRZSA-N 2 2 249.402 2.533 20 30 BFEDLP CC(C)(CC#N)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926568499 645286977 /nfs/dbraw/zinc/28/69/77/645286977.db2.gz MPFSZJVBUCPMKM-KBPBESRZSA-N 2 2 249.402 2.533 20 30 BFEDLP C=C(CC)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925692265 646418657 /nfs/dbraw/zinc/41/86/57/646418657.db2.gz NZVIFIBTICHQAN-JSGCOSHPSA-N 2 2 218.344 2.631 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209432917 957462266 /nfs/dbraw/zinc/46/22/66/957462266.db2.gz NFIHTFGCUHAWFV-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209432917 957462275 /nfs/dbraw/zinc/46/22/75/957462275.db2.gz NFIHTFGCUHAWFV-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209432917 957462283 /nfs/dbraw/zinc/46/22/83/957462283.db2.gz NFIHTFGCUHAWFV-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209432917 957462289 /nfs/dbraw/zinc/46/22/89/957462289.db2.gz NFIHTFGCUHAWFV-CABCVRRESA-N 2 2 236.403 2.901 20 30 BFEDLP C=CCCCCCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903985 967224867 /nfs/dbraw/zinc/22/48/67/967224867.db2.gz JCNCGEDUPRMRCK-CYBMUJFWSA-N 2 2 222.376 2.546 20 30 BFEDLP C=CCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903985 967224875 /nfs/dbraw/zinc/22/48/75/967224875.db2.gz JCNCGEDUPRMRCK-CYBMUJFWSA-N 2 2 222.376 2.546 20 30 BFEDLP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(C)cc[nH+]c1C ZINC001218451504 971822602 /nfs/dbraw/zinc/82/26/02/971822602.db2.gz IDLBXIIEUXFMBW-ZIAGYGMSSA-N 2 2 246.354 2.774 20 30 BFEDLP C=CCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000309364004 959859181 /nfs/dbraw/zinc/85/91/81/959859181.db2.gz ZWLBAPADJLEMIC-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000309364004 959859187 /nfs/dbraw/zinc/85/91/87/959859187.db2.gz ZWLBAPADJLEMIC-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000309364004 959859190 /nfs/dbraw/zinc/85/91/90/959859190.db2.gz ZWLBAPADJLEMIC-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000309364004 959859197 /nfs/dbraw/zinc/85/91/97/959859197.db2.gz ZWLBAPADJLEMIC-CQSZACIVSA-N 2 2 222.376 2.513 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001206776879 968463872 /nfs/dbraw/zinc/46/38/72/968463872.db2.gz IJNRWJJQSIAEGK-CYBMUJFWSA-N 2 2 224.392 2.663 20 30 BFEDLP C=CC(C)(C)CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001206776879 968463877 /nfs/dbraw/zinc/46/38/77/968463877.db2.gz IJNRWJJQSIAEGK-CYBMUJFWSA-N 2 2 224.392 2.663 20 30 BFEDLP CC[C@H](CC#N)[NH+]1C(C)(C)CC([NH3+])CC1(C)C ZINC001255153351 969957958 /nfs/dbraw/zinc/95/79/58/969957958.db2.gz VJCFINJCFFCEGW-GFCCVEGCSA-N 2 2 237.391 2.659 20 30 BFEDLP C=C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC001256201429 970697343 /nfs/dbraw/zinc/69/73/43/970697343.db2.gz BWYABQMUERWCTC-OAHLLOKOSA-N 2 2 230.355 2.598 20 30 BFEDLP C[C@@H](CCCC#N)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172493073 974842977 /nfs/dbraw/zinc/84/29/77/974842977.db2.gz WCEVVKHZHULGGA-LBPRGKRZSA-N 2 2 242.326 2.506 20 30 BFEDLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173586031 975422632 /nfs/dbraw/zinc/42/26/32/975422632.db2.gz DUPAMVICISHFFW-SLTAFYQDSA-N 2 2 249.402 2.531 20 30 BFEDLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173586031 975422656 /nfs/dbraw/zinc/42/26/56/975422656.db2.gz DUPAMVICISHFFW-SLTAFYQDSA-N 2 2 249.402 2.531 20 30 BFEDLP C=CC[NH2+]CC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC001235679711 979119483 /nfs/dbraw/zinc/11/94/83/979119483.db2.gz MUIRCMYXVMXGGY-MRXNPFEDSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC001235679711 979119495 /nfs/dbraw/zinc/11/94/95/979119495.db2.gz MUIRCMYXVMXGGY-MRXNPFEDSA-N 2 2 244.382 2.908 20 30 BFEDLP C=CC[NH2+]CC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001235960918 979227973 /nfs/dbraw/zinc/22/79/73/979227973.db2.gz YKWLBGYNQNYBFG-OAHLLOKOSA-N 2 2 232.371 2.845 20 30 BFEDLP C=CC[NH2+]CC[N@H+](C)[C@H](CC)c1ccccc1 ZINC001235960918 979227986 /nfs/dbraw/zinc/22/79/86/979227986.db2.gz YKWLBGYNQNYBFG-OAHLLOKOSA-N 2 2 232.371 2.845 20 30 BFEDLP C=CCCCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276042003 984805387 /nfs/dbraw/zinc/80/53/87/984805387.db2.gz SZDKEZFYLMVMPA-UHFFFAOYSA-N 2 2 236.403 2.760 20 30 BFEDLP C=CCCCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276042003 984805394 /nfs/dbraw/zinc/80/53/94/984805394.db2.gz SZDKEZFYLMVMPA-UHFFFAOYSA-N 2 2 236.403 2.760 20 30 BFEDLP C=CCC[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258724773 986063978 /nfs/dbraw/zinc/06/39/78/986063978.db2.gz ATDFZUVQWFSHQA-LBPRGKRZSA-N 2 2 229.327 2.779 20 30 BFEDLP C=CCC[C@H](C)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246173077 987539516 /nfs/dbraw/zinc/53/95/16/987539516.db2.gz YYHYRQSXWPXPFQ-AWEZNQCLSA-N 2 2 232.371 2.721 20 30 BFEDLP C=CCC[N@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246799454 988477866 /nfs/dbraw/zinc/47/78/66/988477866.db2.gz ZJYLYBBSFQAYSD-HOCLYGCPSA-N 2 2 244.382 2.815 20 30 BFEDLP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246799454 988477870 /nfs/dbraw/zinc/47/78/70/988477870.db2.gz ZJYLYBBSFQAYSD-HOCLYGCPSA-N 2 2 244.382 2.815 20 30 BFEDLP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001307598986 995415714 /nfs/dbraw/zinc/41/57/14/995415714.db2.gz ZGMCFSYBSLNINO-ILXRZTDVSA-N 2 2 245.370 2.568 20 30 BFEDLP CCC#C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001307598986 995415716 /nfs/dbraw/zinc/41/57/16/995415716.db2.gz ZGMCFSYBSLNINO-ILXRZTDVSA-N 2 2 245.370 2.568 20 30 BFEDLP