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@@](C)(O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252555820 968800903 /nfs/dbraw/zinc/80/09/03/968800903.db2.gz BVBUQYVWHQNZHH-GFCCVEGCSA-N 2 2 223.320 1.142 20 30 BDEDLP C=C[C@@](C)(O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252555820 968800907 /nfs/dbraw/zinc/80/09/07/968800907.db2.gz BVBUQYVWHQNZHH-GFCCVEGCSA-N 2 2 223.320 1.142 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](C#N)CC2)O1 ZINC001235880928 979178573 /nfs/dbraw/zinc/17/85/73/979178573.db2.gz BMYWPAYHXZNMES-RYUDHWBXSA-N 2 2 237.347 1.337 20 30 BDEDLP C[C@]1(C[NH3+])CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001158678782 971393692 /nfs/dbraw/zinc/39/36/92/971393692.db2.gz OFBLWCUCCONFNQ-CQSZACIVSA-N 2 2 244.342 1.713 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709392179 960554825 /nfs/dbraw/zinc/55/48/25/960554825.db2.gz QFMJQNLCIKCWPW-YIBTVLSRSA-N 2 2 207.321 1.551 20 30 BDEDLP C/C=C(\NC=[NH2+])[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001167840623 961228372 /nfs/dbraw/zinc/22/83/72/961228372.db2.gz FINOEDWWVADMBT-GJWVZPOISA-N 2 2 206.293 1.716 20 30 BDEDLP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001168315952 964437565 /nfs/dbraw/zinc/43/75/65/964437565.db2.gz SDQQJGNWDRLXHS-BPCQOVAHSA-N 2 2 221.348 1.847 20 30 BDEDLP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001168315952 964437573 /nfs/dbraw/zinc/43/75/73/964437573.db2.gz SDQQJGNWDRLXHS-BPCQOVAHSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(C#N)cc1O ZINC001205083374 967331928 /nfs/dbraw/zinc/33/19/28/967331928.db2.gz SPOMTTLJDOWAOQ-GWCFXTLKSA-N 2 2 245.326 1.575 20 30 BDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(C#N)cc1O ZINC001205083374 967331944 /nfs/dbraw/zinc/33/19/44/967331944.db2.gz SPOMTTLJDOWAOQ-GWCFXTLKSA-N 2 2 245.326 1.575 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206185225 968113208 /nfs/dbraw/zinc/11/32/08/968113208.db2.gz MAAPRZDKAQTUAV-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206185225 968113213 /nfs/dbraw/zinc/11/32/13/968113213.db2.gz MAAPRZDKAQTUAV-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP C[C@H](CCC#N)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000829178508 968826543 /nfs/dbraw/zinc/82/65/43/968826543.db2.gz FVYPUCVZSIJHKP-WYUUTHIRSA-N 2 2 207.321 1.170 20 30 BDEDLP C[C@H](CCC#N)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000829178508 968826544 /nfs/dbraw/zinc/82/65/44/968826544.db2.gz FVYPUCVZSIJHKP-WYUUTHIRSA-N 2 2 207.321 1.170 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252624785 968885445 /nfs/dbraw/zinc/88/54/45/968885445.db2.gz LYKRVOBYSVTUFP-GFCCVEGCSA-N 2 2 236.315 1.377 20 30 BDEDLP C=C[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001253586196 969265092 /nfs/dbraw/zinc/26/50/92/969265092.db2.gz HTGPOAMACIIPJB-OLZOCXBDSA-N 2 2 248.326 1.390 20 30 BDEDLP C=C[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001253586196 969265098 /nfs/dbraw/zinc/26/50/98/969265098.db2.gz HTGPOAMACIIPJB-OLZOCXBDSA-N 2 2 248.326 1.390 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001169124403 969422069 /nfs/dbraw/zinc/42/20/69/969422069.db2.gz RAOPCQBTEUTKOG-XYYAHUGASA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001169124403 969422077 /nfs/dbraw/zinc/42/20/77/969422077.db2.gz RAOPCQBTEUTKOG-XYYAHUGASA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001169108814 969448727 /nfs/dbraw/zinc/44/87/27/969448727.db2.gz CKXNMZGGRIKUFK-CNDDSTCGSA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001169108814 969448738 /nfs/dbraw/zinc/44/87/38/969448738.db2.gz CKXNMZGGRIKUFK-CNDDSTCGSA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001254673972 969780694 /nfs/dbraw/zinc/78/06/94/969780694.db2.gz RXNUAIPJBDSDBG-SYQHCUMBSA-N 2 2 233.359 1.705 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001254673972 969780699 /nfs/dbraw/zinc/78/06/99/969780699.db2.gz RXNUAIPJBDSDBG-SYQHCUMBSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001254673972 969780704 /nfs/dbraw/zinc/78/07/04/969780704.db2.gz RXNUAIPJBDSDBG-SYQHCUMBSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001254673972 969780706 /nfs/dbraw/zinc/78/07/06/969780706.db2.gz RXNUAIPJBDSDBG-SYQHCUMBSA-N 2 2 233.359 1.705 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906966 973398091 /nfs/dbraw/zinc/39/80/91/973398091.db2.gz DMZYDWNANOOFSD-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906966 973398100 /nfs/dbraw/zinc/39/81/00/973398100.db2.gz DMZYDWNANOOFSD-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP CC#CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335382341 977016261 /nfs/dbraw/zinc/01/62/61/977016261.db2.gz PHTNNJXIGPILMC-HNNXBMFYSA-N 2 2 246.354 1.092 20 30 BDEDLP CC#CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335382341 977016276 /nfs/dbraw/zinc/01/62/76/977016276.db2.gz PHTNNJXIGPILMC-HNNXBMFYSA-N 2 2 246.354 1.092 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](C#N)CC2)O1 ZINC001235880928 979178570 /nfs/dbraw/zinc/17/85/70/979178570.db2.gz BMYWPAYHXZNMES-RYUDHWBXSA-N 2 2 237.347 1.337 20 30 BDEDLP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)C[NH+](C)C ZINC001356594754 983635037 /nfs/dbraw/zinc/63/50/37/983635037.db2.gz GAONXUSCLCTHCG-NEPJUHHUSA-N 2 2 222.336 1.217 20 30 BDEDLP C=CCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001274974304 984424175 /nfs/dbraw/zinc/42/41/75/984424175.db2.gz GGUGRCMMFIUPFH-UHFFFAOYSA-N 2 2 208.349 1.980 20 30 BDEDLP C=CCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001274974304 984424188 /nfs/dbraw/zinc/42/41/88/984424188.db2.gz GGUGRCMMFIUPFH-UHFFFAOYSA-N 2 2 208.349 1.980 20 30 BDEDLP C#CCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001460961490 985966033 /nfs/dbraw/zinc/96/60/33/985966033.db2.gz FUCBZPYWOHRSKV-UHFFFAOYSA-N 2 2 217.316 1.623 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041249 986449902 /nfs/dbraw/zinc/44/99/02/986449902.db2.gz YHMYRNNMSRVRDF-HHHUOAJASA-N 2 2 205.305 1.161 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H](C#N)C1 ZINC001254675513 986727431 /nfs/dbraw/zinc/72/74/31/986727431.db2.gz FWDAIOAGHPJMFA-QWHCGFSZSA-N 2 2 232.331 1.897 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H](C#N)C1 ZINC001254675513 986727435 /nfs/dbraw/zinc/72/74/35/986727435.db2.gz FWDAIOAGHPJMFA-QWHCGFSZSA-N 2 2 232.331 1.897 20 30 BDEDLP CCCCCCCC[C@H](O)C[NH2+]CC[NH2+]C ZINC001245977305 987253704 /nfs/dbraw/zinc/25/37/04/987253704.db2.gz WUIKYKYIIVHHNC-ZDUSSCGKSA-N 2 2 230.396 1.907 20 30 BDEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001246072858 987359138 /nfs/dbraw/zinc/35/91/38/987359138.db2.gz XLDYKIDPJNHJPL-ZIAGYGMSSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001246072858 987359143 /nfs/dbraw/zinc/35/91/43/987359143.db2.gz XLDYKIDPJNHJPL-ZIAGYGMSSA-N 2 2 240.391 1.907 20 30 BDEDLP N#CC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246078373 987367310 /nfs/dbraw/zinc/36/73/10/987367310.db2.gz AWEVQDJUTKCHML-KIDURHIOSA-N 2 2 225.311 1.358 20 30 BDEDLP CCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1O ZINC001246102848 987426510 /nfs/dbraw/zinc/42/65/10/987426510.db2.gz SZXCDPXUFGEHPH-AVGNSLFASA-N 2 2 228.380 1.658 20 30 BDEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1O ZINC001246102850 987429075 /nfs/dbraw/zinc/42/90/75/987429075.db2.gz SZXCDPXUFGEHPH-XQQFMLRXSA-N 2 2 228.380 1.658 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246136904 987490690 /nfs/dbraw/zinc/49/06/90/987490690.db2.gz YNILVTKYMAUENL-VWYCJHECSA-N 2 2 205.305 1.020 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001118091045 988015584 /nfs/dbraw/zinc/01/55/84/988015584.db2.gz QYDWXLWXIFHHBA-VXGBXAGGSA-N 2 2 243.314 1.231 20 30 BDEDLP CC1(C#N)CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246655323 988387122 /nfs/dbraw/zinc/38/71/22/988387122.db2.gz ZBNYXLFIOKFZIE-GFJIZPEISA-N 2 2 233.359 1.882 20 30 BDEDLP CC1(C#N)CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246655323 988387133 /nfs/dbraw/zinc/38/71/33/988387133.db2.gz ZBNYXLFIOKFZIE-GFJIZPEISA-N 2 2 233.359 1.882 20 30 BDEDLP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120574088 989744013 /nfs/dbraw/zinc/74/40/13/989744013.db2.gz KASZXHLELPQWBN-OLZOCXBDSA-N 2 2 234.347 1.361 20 30 BDEDLP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120574088 989744020 /nfs/dbraw/zinc/74/40/20/989744020.db2.gz KASZXHLELPQWBN-OLZOCXBDSA-N 2 2 234.347 1.361 20 30 BDEDLP C=CCO[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001262012276 992600403 /nfs/dbraw/zinc/60/04/03/992600403.db2.gz QAQGXYBXDQQARP-CYBMUJFWSA-N 2 2 235.331 1.240 20 30 BDEDLP C=CCO[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC001262012276 992600408 /nfs/dbraw/zinc/60/04/08/992600408.db2.gz QAQGXYBXDQQARP-CYBMUJFWSA-N 2 2 235.331 1.240 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335180670 343979480 /nfs/dbraw/zinc/97/94/80/343979480.db2.gz NVECKPXERQIFQA-ZFWWWQNUSA-N 2 2 241.338 1.887 20 30 BDEDLP C#CC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000274232241 398151175 /nfs/dbraw/zinc/15/11/75/398151175.db2.gz WSLJJYGQDSBERA-UHFFFAOYSA-N 2 2 203.289 1.371 20 30 BDEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000274232241 398151182 /nfs/dbraw/zinc/15/11/82/398151182.db2.gz WSLJJYGQDSBERA-UHFFFAOYSA-N 2 2 203.289 1.371 20 30 BDEDLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000232315034 398170352 /nfs/dbraw/zinc/17/03/52/398170352.db2.gz XJDMIIIYKXEBCX-LBPRGKRZSA-N 2 2 244.342 1.223 20 30 BDEDLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000232315034 398170356 /nfs/dbraw/zinc/17/03/56/398170356.db2.gz XJDMIIIYKXEBCX-LBPRGKRZSA-N 2 2 244.342 1.223 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000309497522 136218621 /nfs/dbraw/zinc/21/86/21/136218621.db2.gz YWBNXCJYCFNEIA-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000126833194 398220838 /nfs/dbraw/zinc/22/08/38/398220838.db2.gz UBLJQAVLXMHJTG-OLZOCXBDSA-N 2 2 225.380 1.177 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000126833194 398220839 /nfs/dbraw/zinc/22/08/39/398220839.db2.gz UBLJQAVLXMHJTG-OLZOCXBDSA-N 2 2 225.380 1.177 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000602512593 349586187 /nfs/dbraw/zinc/58/61/87/349586187.db2.gz VPCJAEXOQPATRW-VXGBXAGGSA-N 2 2 220.320 1.801 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378863971 346848652 /nfs/dbraw/zinc/84/86/52/346848652.db2.gz WOQGDMOLHFOKRN-VOAKCMCISA-N 2 2 221.348 1.608 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378863971 346848655 /nfs/dbraw/zinc/84/86/55/346848655.db2.gz WOQGDMOLHFOKRN-VOAKCMCISA-N 2 2 221.348 1.608 20 30 BDEDLP C[C@@H](C#N)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000183833421 346858845 /nfs/dbraw/zinc/85/88/45/346858845.db2.gz ATVMXYNMZBXKEF-JTQLQIEISA-N 2 2 214.272 1.584 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000602595183 349644118 /nfs/dbraw/zinc/64/41/18/349644118.db2.gz XFEIACLGMZBPLS-CHWSQXEVSA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000602595183 349644119 /nfs/dbraw/zinc/64/41/19/349644119.db2.gz XFEIACLGMZBPLS-CHWSQXEVSA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000602689544 349680361 /nfs/dbraw/zinc/68/03/61/349680361.db2.gz WRKNSJNIMVWCLC-LLVKDONJSA-N 2 2 220.320 1.492 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313357640 259333930 /nfs/dbraw/zinc/33/39/30/259333930.db2.gz PYJMAWRYDSUBEZ-CQSZACIVSA-N 2 2 245.326 1.108 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313357640 259333932 /nfs/dbraw/zinc/33/39/32/259333932.db2.gz PYJMAWRYDSUBEZ-CQSZACIVSA-N 2 2 245.326 1.108 20 30 BDEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000387504300 343091083 /nfs/dbraw/zinc/09/10/83/343091083.db2.gz XYJCOBGGMHUPPQ-VXGBXAGGSA-N 2 2 212.337 1.309 20 30 BDEDLP C=C(C)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000387504294 343091168 /nfs/dbraw/zinc/09/11/68/343091168.db2.gz XYJCOBGGMHUPPQ-NEPJUHHUSA-N 2 2 212.337 1.309 20 30 BDEDLP CC[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000379918545 365734436 /nfs/dbraw/zinc/73/44/36/365734436.db2.gz FPIWYTJITGPQAS-UHFFFAOYSA-N 2 2 207.321 1.364 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000379458821 343522618 /nfs/dbraw/zinc/52/26/18/343522618.db2.gz QCBQFYIHFXHCNH-NWDGAFQWSA-N 2 2 219.332 1.507 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000379458821 343522622 /nfs/dbraw/zinc/52/26/22/343522622.db2.gz QCBQFYIHFXHCNH-NWDGAFQWSA-N 2 2 219.332 1.507 20 30 BDEDLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[NH2+]1 ZINC000600712127 344361778 /nfs/dbraw/zinc/36/17/78/344361778.db2.gz WKTZGAIWMCFUGC-XQHKEYJVSA-N 2 2 221.348 1.799 20 30 BDEDLP C[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000381454256 344507405 /nfs/dbraw/zinc/50/74/05/344507405.db2.gz IRNXYDHOQQFNNR-LLVKDONJSA-N 2 2 220.320 1.114 20 30 BDEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309471687 347071281 /nfs/dbraw/zinc/07/12/81/347071281.db2.gz RDNRETXPCLBUSW-FRRDWIJNSA-N 2 2 221.348 1.610 20 30 BDEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309471687 347071284 /nfs/dbraw/zinc/07/12/84/347071284.db2.gz RDNRETXPCLBUSW-FRRDWIJNSA-N 2 2 221.348 1.610 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000155787336 345102695 /nfs/dbraw/zinc/10/26/95/345102695.db2.gz NFBUZOXNVVUONA-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP CC#CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000155787336 345102700 /nfs/dbraw/zinc/10/27/00/345102700.db2.gz NFBUZOXNVVUONA-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP [NH2+]=C(NCCn1cc[nH+]c1)NC1CCCCCC1 ZINC000092276902 345626534 /nfs/dbraw/zinc/62/65/34/345626534.db2.gz MGKFYMJKKXLBOA-UHFFFAOYSA-N 2 2 249.362 1.510 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nccnc1C ZINC000295060227 346352265 /nfs/dbraw/zinc/35/22/65/346352265.db2.gz RCZODHCHKMGHOD-GFCCVEGCSA-N 2 2 246.358 1.391 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nccnc1C ZINC000295060227 346352266 /nfs/dbraw/zinc/35/22/66/346352266.db2.gz RCZODHCHKMGHOD-GFCCVEGCSA-N 2 2 246.358 1.391 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000309769840 347159430 /nfs/dbraw/zinc/15/94/30/347159430.db2.gz KEUXSURVADOBAH-YVECIDJPSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCC[N@H+]1C ZINC000309769840 347159432 /nfs/dbraw/zinc/15/94/32/347159432.db2.gz KEUXSURVADOBAH-YVECIDJPSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](C#N)CCC#N ZINC000577216923 365885184 /nfs/dbraw/zinc/88/51/84/365885184.db2.gz ZDNAZODWMJANNU-NEPJUHHUSA-N 2 2 222.336 1.360 20 30 BDEDLP C=CCCCC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000577261319 365906081 /nfs/dbraw/zinc/90/60/81/365906081.db2.gz YSXQCHSWYHDORM-ZDUSSCGKSA-N 2 2 226.364 1.605 20 30 BDEDLP C=CCCCC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000577261319 365906086 /nfs/dbraw/zinc/90/60/86/365906086.db2.gz YSXQCHSWYHDORM-ZDUSSCGKSA-N 2 2 226.364 1.605 20 30 BDEDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000591580641 347677402 /nfs/dbraw/zinc/67/74/02/347677402.db2.gz CWJHLAAPGDRUBT-IUCAKERBSA-N 2 2 221.279 1.695 20 30 BDEDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(C#N)c1 ZINC000591581300 347677624 /nfs/dbraw/zinc/67/76/24/347677624.db2.gz QKBNYBRGIIAMKE-SWHYSGLUSA-N 2 2 247.317 1.909 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726534 347692510 /nfs/dbraw/zinc/69/25/10/347692510.db2.gz HNRVOOSJQULVOV-RDBSUJKOSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726534 347692511 /nfs/dbraw/zinc/69/25/11/347692511.db2.gz HNRVOOSJQULVOV-RDBSUJKOSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726529 347692588 /nfs/dbraw/zinc/69/25/88/347692588.db2.gz HNRVOOSJQULVOV-HZSPNIEDSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726529 347692590 /nfs/dbraw/zinc/69/25/90/347692590.db2.gz HNRVOOSJQULVOV-HZSPNIEDSA-N 2 2 246.358 1.646 20 30 BDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](C#N)CCC#N ZINC000591742999 347695379 /nfs/dbraw/zinc/69/53/79/347695379.db2.gz QVIFRKAEPCMDLK-UONOGXRCSA-N 2 2 248.374 1.894 20 30 BDEDLP C[N@H+](Cc1ccncc1C#N)CC(C)(C)C[NH3+] ZINC000592475088 347791578 /nfs/dbraw/zinc/79/15/78/347791578.db2.gz NFTCIEZRJIMQJB-UHFFFAOYSA-N 2 2 232.331 1.370 20 30 BDEDLP C[N@@H+](Cc1ccncc1C#N)CC(C)(C)C[NH3+] ZINC000592475088 347791581 /nfs/dbraw/zinc/79/15/81/347791581.db2.gz NFTCIEZRJIMQJB-UHFFFAOYSA-N 2 2 232.331 1.370 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000593978004 347986391 /nfs/dbraw/zinc/98/63/91/347986391.db2.gz XENOBCCGZDQVTB-CQSZACIVSA-N 2 2 246.358 1.978 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000593978004 347986394 /nfs/dbraw/zinc/98/63/94/347986394.db2.gz XENOBCCGZDQVTB-CQSZACIVSA-N 2 2 246.358 1.978 20 30 BDEDLP C[C@]1(C[N@@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]C1 ZINC000594581084 348076252 /nfs/dbraw/zinc/07/62/52/348076252.db2.gz MDYYXLSRYXNELK-HNNXBMFYSA-N 2 2 241.338 1.873 20 30 BDEDLP C[C@]1(C[N@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]C1 ZINC000594581084 348076257 /nfs/dbraw/zinc/07/62/57/348076257.db2.gz MDYYXLSRYXNELK-HNNXBMFYSA-N 2 2 241.338 1.873 20 30 BDEDLP C[NH2+][C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595893597 348390921 /nfs/dbraw/zinc/39/09/21/348390921.db2.gz RKWVPNAYTIFQGH-CQSZACIVSA-N 2 2 229.327 1.394 20 30 BDEDLP C[NH2+][C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595893597 348390922 /nfs/dbraw/zinc/39/09/22/348390922.db2.gz RKWVPNAYTIFQGH-CQSZACIVSA-N 2 2 229.327 1.394 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCCCC1 ZINC000596652928 348606773 /nfs/dbraw/zinc/60/67/73/348606773.db2.gz REXCUQRVDHKOFC-RYUDHWBXSA-N 2 2 221.348 1.930 20 30 BDEDLP C#CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)CC#C ZINC000269324025 192377088 /nfs/dbraw/zinc/37/70/88/192377088.db2.gz NWWHZJLTKRCWGS-CQSZACIVSA-N 2 2 220.360 1.675 20 30 BDEDLP C#CC[NH+](CC)[C@H](C)CC[N@@H+](CC)CC#C ZINC000269324025 192377080 /nfs/dbraw/zinc/37/70/80/192377080.db2.gz NWWHZJLTKRCWGS-CQSZACIVSA-N 2 2 220.360 1.675 20 30 BDEDLP C#CC[NH+](CC)[C@H](C)CC[N@H+](CC)CC#C ZINC000269324025 192377083 /nfs/dbraw/zinc/37/70/83/192377083.db2.gz NWWHZJLTKRCWGS-CQSZACIVSA-N 2 2 220.360 1.675 20 30 BDEDLP C#CC[NH+](CC)CC[C@@H](C)[N@H+](CC)CC#C ZINC000269324025 192377086 /nfs/dbraw/zinc/37/70/86/192377086.db2.gz NWWHZJLTKRCWGS-CQSZACIVSA-N 2 2 220.360 1.675 20 30 BDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000119992965 358465342 /nfs/dbraw/zinc/46/53/42/358465342.db2.gz HGXBJRINMHEQSV-ZDUSSCGKSA-N 2 2 246.358 1.978 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745379 352731850 /nfs/dbraw/zinc/73/18/50/352731850.db2.gz QTSWDXMUOFQWKP-VXGBXAGGSA-N 2 2 223.364 1.856 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745379 352731853 /nfs/dbraw/zinc/73/18/53/352731853.db2.gz QTSWDXMUOFQWKP-VXGBXAGGSA-N 2 2 223.364 1.856 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000311108047 188002946 /nfs/dbraw/zinc/00/29/46/188002946.db2.gz REXBLNXVVOBQLY-HUUCEWRRSA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000311108047 188002948 /nfs/dbraw/zinc/00/29/48/188002948.db2.gz REXBLNXVVOBQLY-HUUCEWRRSA-N 2 2 241.338 1.742 20 30 BDEDLP C=CC[C@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000639016667 353273883 /nfs/dbraw/zinc/27/38/83/353273883.db2.gz MRCYZZBCDZYLQG-CYBMUJFWSA-N 2 2 248.330 1.066 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181099976 353419957 /nfs/dbraw/zinc/41/99/57/353419957.db2.gz LQFHPDBKDSLMFC-ZDUSSCGKSA-N 2 2 237.347 1.532 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181099976 353419959 /nfs/dbraw/zinc/41/99/59/353419959.db2.gz LQFHPDBKDSLMFC-ZDUSSCGKSA-N 2 2 237.347 1.532 20 30 BDEDLP Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)c(C#N)c[nH+]1 ZINC000398987656 353417977 /nfs/dbraw/zinc/41/79/77/353417977.db2.gz IWFLFSKLDKVOPA-LLVKDONJSA-N 2 2 244.342 1.825 20 30 BDEDLP C=C[C@@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000289964107 353645608 /nfs/dbraw/zinc/64/56/08/353645608.db2.gz XAXBVDLPGQBVPU-LBPRGKRZSA-N 2 2 247.342 1.187 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000293747129 353755829 /nfs/dbraw/zinc/75/58/29/353755829.db2.gz IJISHQDJUMHPJV-KGLIPLIRSA-N 2 2 249.358 1.969 20 30 BDEDLP CC#CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334678293 354422214 /nfs/dbraw/zinc/42/22/14/354422214.db2.gz HMWQOTOPKROPPG-CQSZACIVSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334678293 354422215 /nfs/dbraw/zinc/42/22/15/354422215.db2.gz HMWQOTOPKROPPG-CQSZACIVSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CCN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334678293 354422216 /nfs/dbraw/zinc/42/22/16/354422216.db2.gz HMWQOTOPKROPPG-CQSZACIVSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CCN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334678293 354422217 /nfs/dbraw/zinc/42/22/17/354422217.db2.gz HMWQOTOPKROPPG-CQSZACIVSA-N 2 2 249.402 1.110 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)CC1(C#N)CCC1 ZINC000450635461 202219876 /nfs/dbraw/zinc/21/98/76/202219876.db2.gz KBNFNRURYMGBRE-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC1(C#N)CCC1 ZINC000450635461 202219879 /nfs/dbraw/zinc/21/98/79/202219879.db2.gz KBNFNRURYMGBRE-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C=CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131663103 358688029 /nfs/dbraw/zinc/68/80/29/358688029.db2.gz VVNHUUNOWYTMEA-GFCCVEGCSA-N 2 2 204.273 1.721 20 30 BDEDLP C=CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131663103 358688030 /nfs/dbraw/zinc/68/80/30/358688030.db2.gz VVNHUUNOWYTMEA-GFCCVEGCSA-N 2 2 204.273 1.721 20 30 BDEDLP C=CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858135 359035028 /nfs/dbraw/zinc/03/50/28/359035028.db2.gz UNCPQAGBLNFZMY-ZDUSSCGKSA-N 2 2 224.348 1.217 20 30 BDEDLP C=CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858135 359035031 /nfs/dbraw/zinc/03/50/31/359035031.db2.gz UNCPQAGBLNFZMY-ZDUSSCGKSA-N 2 2 224.348 1.217 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000379642967 359575530 /nfs/dbraw/zinc/57/55/30/359575530.db2.gz WDRPIZBRCOIMAQ-GFCCVEGCSA-N 2 2 234.347 1.234 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000629509769 361104689 /nfs/dbraw/zinc/10/46/89/361104689.db2.gz KIBRVKHHNDEUKD-OLZOCXBDSA-N 2 2 240.391 1.945 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)C#N ZINC000433282876 201174557 /nfs/dbraw/zinc/17/45/57/201174557.db2.gz BUQLVNIRXYYFEQ-UHFFFAOYSA-N 2 2 220.320 1.673 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)C#N ZINC000433282876 201174560 /nfs/dbraw/zinc/17/45/60/201174560.db2.gz BUQLVNIRXYYFEQ-UHFFFAOYSA-N 2 2 220.320 1.673 20 30 BDEDLP Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000600704865 363999502 /nfs/dbraw/zinc/99/95/02/363999502.db2.gz QOZVCWZBSUSPAK-CQSZACIVSA-N 2 2 229.327 1.790 20 30 BDEDLP Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000600704865 363999505 /nfs/dbraw/zinc/99/95/05/363999505.db2.gz QOZVCWZBSUSPAK-CQSZACIVSA-N 2 2 229.327 1.790 20 30 BDEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000600712829 364012963 /nfs/dbraw/zinc/01/29/63/364012963.db2.gz AOISYSRDDLEEQL-COLVAYQJSA-N 2 2 241.338 1.886 20 30 BDEDLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)n1C ZINC000574532100 365084781 /nfs/dbraw/zinc/08/47/81/365084781.db2.gz KBKIJXPZAZOUBQ-RYUDHWBXSA-N 2 2 232.331 1.901 20 30 BDEDLP C#C[C@H](CC)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000381450026 367406827 /nfs/dbraw/zinc/40/68/27/367406827.db2.gz HBKKYPZWFWVGGC-LLVKDONJSA-N 2 2 213.284 1.836 20 30 BDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000619718183 369548837 /nfs/dbraw/zinc/54/88/37/369548837.db2.gz DHKBOOBBEMEQLE-LBPRGKRZSA-N 2 2 249.314 1.248 20 30 BDEDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000600713660 369560689 /nfs/dbraw/zinc/56/06/89/369560689.db2.gz KJMWYHWEOBVCNP-COPLHBTASA-N 2 2 229.327 1.959 20 30 BDEDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C#N)o1 ZINC000600768910 369561161 /nfs/dbraw/zinc/56/11/61/369561161.db2.gz HVFWZDWTDYMPGR-UHFFFAOYSA-N 2 2 221.304 1.758 20 30 BDEDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600767612 369563806 /nfs/dbraw/zinc/56/38/06/369563806.db2.gz BNQNDGCQZWPJOA-SNVBAGLBSA-N 2 2 219.288 1.193 20 30 BDEDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600767612 369563810 /nfs/dbraw/zinc/56/38/10/369563810.db2.gz BNQNDGCQZWPJOA-SNVBAGLBSA-N 2 2 219.288 1.193 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000601330777 369621139 /nfs/dbraw/zinc/62/11/39/369621139.db2.gz XCKXWTBELJAFPA-ZWNOBZJWSA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000601330777 369621141 /nfs/dbraw/zinc/62/11/41/369621141.db2.gz XCKXWTBELJAFPA-ZWNOBZJWSA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)n1 ZINC000602512907 369802102 /nfs/dbraw/zinc/80/21/02/369802102.db2.gz XUXLIMKZXHSLRC-NSHDSACASA-N 2 2 241.298 1.328 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[N@@H+]1C1CC1 ZINC000167263339 206145993 /nfs/dbraw/zinc/14/59/93/206145993.db2.gz FWLYDWNJPGQBIE-VXGBXAGGSA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[N@H+]1C1CC1 ZINC000167263339 206145997 /nfs/dbraw/zinc/14/59/97/206145997.db2.gz FWLYDWNJPGQBIE-VXGBXAGGSA-N 2 2 221.348 1.895 20 30 BDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CCC#N)CC[C@H]21 ZINC000227336383 134378185 /nfs/dbraw/zinc/37/81/85/134378185.db2.gz BQOBFIAGAFBRHR-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@H]2C[NH+](CCC#N)CC[C@H]21 ZINC000227336383 134378186 /nfs/dbraw/zinc/37/81/86/134378186.db2.gz BQOBFIAGAFBRHR-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@H+](CCC#N)CC[C@H]21 ZINC000227336383 134378187 /nfs/dbraw/zinc/37/81/87/134378187.db2.gz BQOBFIAGAFBRHR-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CCC#N)CC[C@H]21 ZINC000227336383 134378188 /nfs/dbraw/zinc/37/81/88/134378188.db2.gz BQOBFIAGAFBRHR-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C#CCC[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000270937411 533053578 /nfs/dbraw/zinc/05/35/78/533053578.db2.gz XTJAYISYOPFQMU-UHFFFAOYSA-N 2 2 249.745 1.880 20 30 BDEDLP C=CCCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000297579870 384850189 /nfs/dbraw/zinc/85/01/89/384850189.db2.gz DLQLHIIUPZESRN-UHFFFAOYSA-N 2 2 207.321 1.861 20 30 BDEDLP C=CCCC[N@H+](C)CCc1c[nH+]cn1C ZINC000297579870 384850195 /nfs/dbraw/zinc/85/01/95/384850195.db2.gz DLQLHIIUPZESRN-UHFFFAOYSA-N 2 2 207.321 1.861 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157251250 385115917 /nfs/dbraw/zinc/11/59/17/385115917.db2.gz UIJYFEULAGKKRZ-ZDUSSCGKSA-N 2 2 206.333 1.570 20 30 BDEDLP C#CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157251250 385115921 /nfs/dbraw/zinc/11/59/21/385115921.db2.gz UIJYFEULAGKKRZ-ZDUSSCGKSA-N 2 2 206.333 1.570 20 30 BDEDLP C=CCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000559641010 385101440 /nfs/dbraw/zinc/10/14/40/385101440.db2.gz URGMXSJTNATWRG-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000559641010 385101444 /nfs/dbraw/zinc/10/14/44/385101444.db2.gz URGMXSJTNATWRG-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000559641010 385101445 /nfs/dbraw/zinc/10/14/45/385101445.db2.gz URGMXSJTNATWRG-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000559641010 385101448 /nfs/dbraw/zinc/10/14/48/385101448.db2.gz URGMXSJTNATWRG-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000308857006 385219326 /nfs/dbraw/zinc/21/93/26/385219326.db2.gz RRRIFYWDRRVNLX-MNOVXSKESA-N 2 2 204.277 1.165 20 30 BDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N(C)C ZINC000170908533 385455106 /nfs/dbraw/zinc/45/51/06/385455106.db2.gz KDROUIHHRFXCED-UHFFFAOYSA-N 2 2 245.330 1.221 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000086727080 386490232 /nfs/dbraw/zinc/49/02/32/386490232.db2.gz HJQXMAYVMXBCRF-ZWNOBZJWSA-N 2 2 215.300 1.571 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000417357319 386493382 /nfs/dbraw/zinc/49/33/82/386493382.db2.gz REGBSCKWEPWROS-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP O=C(NCC[NH+]1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328650330 386604900 /nfs/dbraw/zinc/60/49/00/386604900.db2.gz JDBRRXGHMRAHMX-LLVKDONJSA-N 2 2 248.330 1.108 20 30 BDEDLP C=CCOCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000645083305 386709067 /nfs/dbraw/zinc/70/90/67/386709067.db2.gz KYDZEZZDYIFZLC-CYBMUJFWSA-N 2 2 235.331 1.723 20 30 BDEDLP C=CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000188801686 387105788 /nfs/dbraw/zinc/10/57/88/387105788.db2.gz PSIIJLIUBXMZIS-UHFFFAOYSA-N 2 2 231.343 1.822 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423368499 387220871 /nfs/dbraw/zinc/22/08/71/387220871.db2.gz ZXPCWVIAQRIEKS-QJPTWQEYSA-N 2 2 207.321 1.410 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422863842 387746399 /nfs/dbraw/zinc/74/63/99/387746399.db2.gz SLIAXMVWFVFGHE-GXTWGEPZSA-N 3 2 237.391 1.354 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422975648 387823309 /nfs/dbraw/zinc/82/33/09/387823309.db2.gz BRXCBJAFPMTRKE-UHTWSYAYSA-N 2 2 224.348 1.308 20 30 BDEDLP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000423105700 387890585 /nfs/dbraw/zinc/89/05/85/387890585.db2.gz ZINRFWRQPCUVGY-VXGBXAGGSA-N 2 2 221.348 1.800 20 30 BDEDLP C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000423106531 387891688 /nfs/dbraw/zinc/89/16/88/387891688.db2.gz ZYEICJNMVNZUKZ-QWRGUYRKSA-N 2 2 207.321 1.410 20 30 BDEDLP C=CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246241180 388022593 /nfs/dbraw/zinc/02/25/93/388022593.db2.gz HWUNJULYIRIXBL-NWDGAFQWSA-N 2 2 205.305 1.952 20 30 BDEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246241180 388022594 /nfs/dbraw/zinc/02/25/94/388022594.db2.gz HWUNJULYIRIXBL-NWDGAFQWSA-N 2 2 205.305 1.952 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453348517 388054239 /nfs/dbraw/zinc/05/42/39/388054239.db2.gz HPYQRBFYNRYYHO-ASEORRQLSA-N 2 2 236.359 1.402 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000453348517 388054243 /nfs/dbraw/zinc/05/42/43/388054243.db2.gz HPYQRBFYNRYYHO-ASEORRQLSA-N 2 2 236.359 1.402 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000453357992 388058432 /nfs/dbraw/zinc/05/84/32/388058432.db2.gz NAOBIASZPLSRIW-NDBYEHHHSA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000453357992 388058436 /nfs/dbraw/zinc/05/84/36/388058436.db2.gz NAOBIASZPLSRIW-NDBYEHHHSA-N 2 2 224.348 1.260 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000449120413 388144279 /nfs/dbraw/zinc/14/42/79/388144279.db2.gz CWIOYOHDXMZLMV-YPMHNXCESA-N 2 2 240.416 1.978 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cncnc1C ZINC000491760738 388318670 /nfs/dbraw/zinc/31/86/70/388318670.db2.gz SKVAPBIANSBVGX-GFCCVEGCSA-N 2 2 246.358 1.391 20 30 BDEDLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423219072 388688261 /nfs/dbraw/zinc/68/82/61/388688261.db2.gz VUDRJFLJAOSXNL-UONOGXRCSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C#N)c1 ZINC000423563078 388693989 /nfs/dbraw/zinc/69/39/89/388693989.db2.gz KOYQYXPQBWKRME-RISCZKNCSA-N 2 2 245.326 1.197 20 30 BDEDLP Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000424407494 388696732 /nfs/dbraw/zinc/69/67/32/388696732.db2.gz BZOQWQPAAGXZAH-YPMHNXCESA-N 2 2 244.342 1.613 20 30 BDEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368594146 533296982 /nfs/dbraw/zinc/29/69/82/533296982.db2.gz RGGVNNPEIHCGSQ-ZDUSSCGKSA-N 2 2 243.354 1.657 20 30 BDEDLP C=CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119457732 134226364 /nfs/dbraw/zinc/22/63/64/134226364.db2.gz JTAYISHOCSELCI-YIONKMFJSA-N 2 2 249.402 1.415 20 30 BDEDLP C=CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119457732 134226365 /nfs/dbraw/zinc/22/63/65/134226365.db2.gz JTAYISHOCSELCI-YIONKMFJSA-N 2 2 249.402 1.415 20 30 BDEDLP C=CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000337282139 135011035 /nfs/dbraw/zinc/01/10/35/135011035.db2.gz XBCNPWWYCDVZJH-UHFFFAOYSA-N 2 2 220.320 1.103 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000086728408 135095602 /nfs/dbraw/zinc/09/56/02/135095602.db2.gz GXIVTYCWAMZFBF-GFCCVEGCSA-N 2 2 201.273 1.010 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000253201319 135125036 /nfs/dbraw/zinc/12/50/36/135125036.db2.gz XWGSUGGUISYYJE-NEPJUHHUSA-N 2 2 245.326 1.868 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000253201319 135125037 /nfs/dbraw/zinc/12/50/37/135125037.db2.gz XWGSUGGUISYYJE-NEPJUHHUSA-N 2 2 245.326 1.868 20 30 BDEDLP CNC(NC[C@@H](c1ccsc1)[NH+](C)C)=[NH+]C ZINC000264106835 135133426 /nfs/dbraw/zinc/13/34/26/135133426.db2.gz PUOSULVATJNBBV-JTQLQIEISA-N 2 2 240.376 1.146 20 30 BDEDLP C=CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000269919518 135168072 /nfs/dbraw/zinc/16/80/72/135168072.db2.gz AERCHIFHDYTJPK-UHFFFAOYSA-N 2 2 233.315 1.571 20 30 BDEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298605120 135199935 /nfs/dbraw/zinc/19/99/35/135199935.db2.gz ZLJOLNBBAJYVAN-UHFFFAOYSA-N 2 2 205.305 1.613 20 30 BDEDLP C=CC[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298605120 135199938 /nfs/dbraw/zinc/19/99/38/135199938.db2.gz ZLJOLNBBAJYVAN-UHFFFAOYSA-N 2 2 205.305 1.613 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000293580432 135376565 /nfs/dbraw/zinc/37/65/65/135376565.db2.gz AOQIDEUNOYIQKZ-STQMWFEESA-N 2 2 246.358 1.434 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000293580432 135376567 /nfs/dbraw/zinc/37/65/67/135376567.db2.gz AOQIDEUNOYIQKZ-STQMWFEESA-N 2 2 246.358 1.434 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335561046 136106345 /nfs/dbraw/zinc/10/63/45/136106345.db2.gz HYZNPXXRDXIYLC-FZMZJTMJSA-N 2 2 229.327 1.646 20 30 BDEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+](CC)CCO)C1 ZINC000651764296 411142546 /nfs/dbraw/zinc/14/25/46/411142546.db2.gz PREAMOJCACIJBB-KGLIPLIRSA-N 2 2 240.391 1.635 20 30 BDEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+](CC)CCO)C1 ZINC000651764296 411142547 /nfs/dbraw/zinc/14/25/47/411142547.db2.gz PREAMOJCACIJBB-KGLIPLIRSA-N 2 2 240.391 1.635 20 30 BDEDLP C=C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655723803 411297019 /nfs/dbraw/zinc/29/70/19/411297019.db2.gz SXKLJUPZKSZREE-DGCLKSJQSA-N 2 2 224.348 1.404 20 30 BDEDLP C=C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655723806 411297193 /nfs/dbraw/zinc/29/71/93/411297193.db2.gz SXKLJUPZKSZREE-YPMHNXCESA-N 2 2 224.348 1.404 20 30 BDEDLP C=CC[C@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000662838109 412316393 /nfs/dbraw/zinc/31/63/93/412316393.db2.gz CVDHEBNOTIRKSB-CYBMUJFWSA-N 2 2 248.330 1.066 20 30 BDEDLP C=CC[C@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000662838109 412316394 /nfs/dbraw/zinc/31/63/94/412316394.db2.gz CVDHEBNOTIRKSB-CYBMUJFWSA-N 2 2 248.330 1.066 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000392827082 323386911 /nfs/dbraw/zinc/38/69/11/323386911.db2.gz ZJIJIWNJBZATIE-ZDUSSCGKSA-N 2 2 231.343 1.687 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000392827082 323386914 /nfs/dbraw/zinc/38/69/14/323386914.db2.gz ZJIJIWNJBZATIE-ZDUSSCGKSA-N 2 2 231.343 1.687 20 30 BDEDLP C=CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000130698188 325080816 /nfs/dbraw/zinc/08/08/16/325080816.db2.gz OTUHEQWTWIXREU-UHFFFAOYSA-N 2 2 231.343 1.822 20 30 BDEDLP CC#CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166182972 326430463 /nfs/dbraw/zinc/43/04/63/326430463.db2.gz BDTXCXWFDBOCIP-UHFFFAOYSA-N 2 2 229.327 1.535 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309085681 533735554 /nfs/dbraw/zinc/73/55/54/533735554.db2.gz XCXCIPFKKZVKJK-SRVKXCTJSA-N 2 2 209.337 1.608 20 30 BDEDLP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC000893674896 583194417 /nfs/dbraw/zinc/19/44/17/583194417.db2.gz ANNFGMIKEYFHHB-CHZLEKFTSA-N 2 2 248.370 1.382 20 30 BDEDLP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000893674896 583194419 /nfs/dbraw/zinc/19/44/19/583194419.db2.gz ANNFGMIKEYFHHB-CHZLEKFTSA-N 2 2 248.370 1.382 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893988758 583269722 /nfs/dbraw/zinc/26/97/22/583269722.db2.gz KUCZIEHELJOTTQ-GFCCVEGCSA-N 2 2 247.342 1.502 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893988758 583269725 /nfs/dbraw/zinc/26/97/25/583269725.db2.gz KUCZIEHELJOTTQ-GFCCVEGCSA-N 2 2 247.342 1.502 20 30 BDEDLP C=CCC1(O)CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000895833873 583735454 /nfs/dbraw/zinc/73/54/54/583735454.db2.gz DXYRFLVCLILPEZ-UHFFFAOYSA-N 2 2 249.358 1.632 20 30 BDEDLP C#CC[N@H+](Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000897170928 583888773 /nfs/dbraw/zinc/88/87/73/583888773.db2.gz LQVISQDRUHJHHV-UHFFFAOYSA-N 2 2 234.347 1.330 20 30 BDEDLP C#CC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000897170928 583888774 /nfs/dbraw/zinc/88/87/74/583888774.db2.gz LQVISQDRUHJHHV-UHFFFAOYSA-N 2 2 234.347 1.330 20 30 BDEDLP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](C#N)CCC#N)CC1 ZINC000899911058 584253009 /nfs/dbraw/zinc/25/30/09/584253009.db2.gz PFKJYEAQCSGWGU-CYBMUJFWSA-N 2 2 246.358 1.600 20 30 BDEDLP C[NH+]1CCC2(CC[N@H+]2C[C@@H](C#N)CCC#N)CC1 ZINC000899911058 584253010 /nfs/dbraw/zinc/25/30/10/584253010.db2.gz PFKJYEAQCSGWGU-CYBMUJFWSA-N 2 2 246.358 1.600 20 30 BDEDLP C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900010344 584265564 /nfs/dbraw/zinc/26/55/64/584265564.db2.gz QDCNCRMMMKFDBD-ZJUUUORDSA-N 2 2 236.319 1.850 20 30 BDEDLP C=CCCC[C@H]([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000900017775 584267090 /nfs/dbraw/zinc/26/70/90/584267090.db2.gz SXIUKUXKZRXMTI-QMMMGPOBSA-N 2 2 222.292 1.374 20 30 BDEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000902443579 584598270 /nfs/dbraw/zinc/59/82/70/584598270.db2.gz LEZIDQBMTAWKKF-SRVKXCTJSA-N 2 2 221.348 1.656 20 30 BDEDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)cc1F ZINC000902413501 584599779 /nfs/dbraw/zinc/59/97/79/584599779.db2.gz NAJQDPJENWEKMT-VIFPVBQESA-N 2 2 233.290 1.839 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000903033535 584718684 /nfs/dbraw/zinc/71/86/84/584718684.db2.gz WRAFXLCGQFRRFN-STQMWFEESA-N 2 2 233.359 1.897 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000903033535 584718685 /nfs/dbraw/zinc/71/86/85/584718685.db2.gz WRAFXLCGQFRRFN-STQMWFEESA-N 2 2 233.359 1.897 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H]2CCC[C@@H]21 ZINC000903101847 584727186 /nfs/dbraw/zinc/72/71/86/584727186.db2.gz NUWYHQPPYXIQKM-AGIUHOORSA-N 2 2 235.375 1.999 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H]2CCC[C@@H]21 ZINC000903101847 584727187 /nfs/dbraw/zinc/72/71/87/584727187.db2.gz NUWYHQPPYXIQKM-AGIUHOORSA-N 2 2 235.375 1.999 20 30 BDEDLP C=C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000731104393 584922293 /nfs/dbraw/zinc/92/22/93/584922293.db2.gz YLYIQNPBZWSLCF-CYBMUJFWSA-N 2 2 224.348 1.095 20 30 BDEDLP C=C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000731104394 584922437 /nfs/dbraw/zinc/92/24/37/584922437.db2.gz YLYIQNPBZWSLCF-ZDUSSCGKSA-N 2 2 224.348 1.095 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757644411 585343753 /nfs/dbraw/zinc/34/37/53/585343753.db2.gz VXAHJXXGSCVQNG-JTQLQIEISA-N 2 2 225.723 1.962 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757644411 585343754 /nfs/dbraw/zinc/34/37/54/585343754.db2.gz VXAHJXXGSCVQNG-JTQLQIEISA-N 2 2 225.723 1.962 20 30 BDEDLP CCC(=[NH+]NC(N)=[NH2+])c1ccc(N(C)C)cc1 ZINC000759179103 585364853 /nfs/dbraw/zinc/36/48/53/585364853.db2.gz IXVYHKMRKZOMFV-UHFFFAOYSA-N 2 2 233.319 1.350 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000785996556 585884860 /nfs/dbraw/zinc/88/48/60/585884860.db2.gz DVMLKKCJDNGTIX-KBPBESRZSA-N 2 2 238.375 1.484 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000785996556 585884861 /nfs/dbraw/zinc/88/48/61/585884861.db2.gz DVMLKKCJDNGTIX-KBPBESRZSA-N 2 2 238.375 1.484 20 30 BDEDLP CSCCO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000794574816 586044751 /nfs/dbraw/zinc/04/47/51/586044751.db2.gz QYKSJBZWIKUWNP-UHFFFAOYSA-N 2 2 239.344 1.861 20 30 BDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000809935803 586524726 /nfs/dbraw/zinc/52/47/26/586524726.db2.gz MGPWNSNPHLJKSY-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000809935803 586524727 /nfs/dbraw/zinc/52/47/27/586524727.db2.gz MGPWNSNPHLJKSY-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000809935803 586524728 /nfs/dbraw/zinc/52/47/28/586524728.db2.gz MGPWNSNPHLJKSY-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000809935803 586524729 /nfs/dbraw/zinc/52/47/29/586524729.db2.gz MGPWNSNPHLJKSY-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1CC)C1CCOCC1 ZINC000827555274 587387372 /nfs/dbraw/zinc/38/73/72/587387372.db2.gz QWJGPXLQQAKOGM-AWEZNQCLSA-N 2 2 247.342 1.421 20 30 BDEDLP C#CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000847008726 588301302 /nfs/dbraw/zinc/30/13/02/588301302.db2.gz FYZANPWKTNIPSW-UHFFFAOYSA-N 2 2 231.343 1.698 20 30 BDEDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743109 590412200 /nfs/dbraw/zinc/41/22/00/590412200.db2.gz IDYSWHCKADELKC-SMDDNHRTSA-N 2 2 245.326 1.677 20 30 BDEDLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743109 590412202 /nfs/dbraw/zinc/41/22/02/590412202.db2.gz IDYSWHCKADELKC-SMDDNHRTSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743109 590412203 /nfs/dbraw/zinc/41/22/03/590412203.db2.gz IDYSWHCKADELKC-SMDDNHRTSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743109 590412205 /nfs/dbraw/zinc/41/22/05/590412205.db2.gz IDYSWHCKADELKC-SMDDNHRTSA-N 2 2 245.326 1.677 20 30 BDEDLP C#CC[N@@H+](CCc1c[nH+]cn1C)C1CSC1 ZINC000878909674 590644751 /nfs/dbraw/zinc/64/47/51/590644751.db2.gz AHYKCYLTJGHFPE-UHFFFAOYSA-N 2 2 235.356 1.013 20 30 BDEDLP C#CC[N@H+](CCc1c[nH+]cn1C)C1CSC1 ZINC000878909674 590644752 /nfs/dbraw/zinc/64/47/52/590644752.db2.gz AHYKCYLTJGHFPE-UHFFFAOYSA-N 2 2 235.356 1.013 20 30 BDEDLP C=C(Cl)C[NH2+]C1CC[NH+](CC)CC1 ZINC000135834113 592060028 /nfs/dbraw/zinc/06/00/28/592060028.db2.gz MLDYUCFIVVMNMH-UHFFFAOYSA-N 2 2 202.729 1.813 20 30 BDEDLP C#CC[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000886365597 592219771 /nfs/dbraw/zinc/21/97/71/592219771.db2.gz MBGQISSGKMDTAK-GFCCVEGCSA-N 2 2 217.316 1.308 20 30 BDEDLP C#CC[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000886365597 592219772 /nfs/dbraw/zinc/21/97/72/592219772.db2.gz MBGQISSGKMDTAK-GFCCVEGCSA-N 2 2 217.316 1.308 20 30 BDEDLP C[C@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000054179172 636045960 /nfs/dbraw/zinc/04/59/60/636045960.db2.gz HXIOAOAEFKVJCZ-WAAKLRNESA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054179172 636045966 /nfs/dbraw/zinc/04/59/66/636045966.db2.gz HXIOAOAEFKVJCZ-WAAKLRNESA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309784513 633736215 /nfs/dbraw/zinc/73/62/15/633736215.db2.gz NQPOSGFZKVNJPL-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309784513 633736221 /nfs/dbraw/zinc/73/62/21/633736221.db2.gz NQPOSGFZKVNJPL-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000328213580 633741978 /nfs/dbraw/zinc/74/19/78/633741978.db2.gz XEGBQEJFQFBOLB-UHFFFAOYSA-N 2 2 248.374 1.509 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000328213580 633741981 /nfs/dbraw/zinc/74/19/81/633741981.db2.gz XEGBQEJFQFBOLB-UHFFFAOYSA-N 2 2 248.374 1.509 20 30 BDEDLP C#CCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309792612 634007987 /nfs/dbraw/zinc/00/79/87/634007987.db2.gz PNEZAHQYUCOCBG-OCCSQVGLSA-N 2 2 220.360 1.862 20 30 BDEDLP C#CCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309792612 634007990 /nfs/dbraw/zinc/00/79/90/634007990.db2.gz PNEZAHQYUCOCBG-OCCSQVGLSA-N 2 2 220.360 1.862 20 30 BDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000925815705 635381561 /nfs/dbraw/zinc/38/15/61/635381561.db2.gz YSJZKQPYDYWFMH-CHWSQXEVSA-N 2 2 233.290 1.667 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284260 640121225 /nfs/dbraw/zinc/12/12/25/640121225.db2.gz QGGNSAHAMKGTHH-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284260 640121236 /nfs/dbraw/zinc/12/12/36/640121236.db2.gz QGGNSAHAMKGTHH-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP C=CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931289822 640136588 /nfs/dbraw/zinc/13/65/88/640136588.db2.gz DIPQKTIOOULAOQ-UHFFFAOYSA-N 2 2 224.348 1.359 20 30 BDEDLP C=CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931289822 640136591 /nfs/dbraw/zinc/13/65/91/640136591.db2.gz DIPQKTIOOULAOQ-UHFFFAOYSA-N 2 2 224.348 1.359 20 30 BDEDLP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000934463929 641157970 /nfs/dbraw/zinc/15/79/70/641157970.db2.gz LAWUBBHPUAROPC-OLZOCXBDSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000934463929 641157990 /nfs/dbraw/zinc/15/79/90/641157990.db2.gz LAWUBBHPUAROPC-OLZOCXBDSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000934463929 641157996 /nfs/dbraw/zinc/15/79/96/641157996.db2.gz LAWUBBHPUAROPC-OLZOCXBDSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000934463929 641157999 /nfs/dbraw/zinc/15/79/99/641157999.db2.gz LAWUBBHPUAROPC-OLZOCXBDSA-N 2 2 224.348 1.092 20 30 BDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000932387999 643206244 /nfs/dbraw/zinc/20/62/44/643206244.db2.gz QMNARUPKMKSANW-ZDUSSCGKSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000932387999 643206250 /nfs/dbraw/zinc/20/62/50/643206250.db2.gz QMNARUPKMKSANW-ZDUSSCGKSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000932387999 643206257 /nfs/dbraw/zinc/20/62/57/643206257.db2.gz QMNARUPKMKSANW-ZDUSSCGKSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000932387999 643206264 /nfs/dbraw/zinc/20/62/64/643206264.db2.gz QMNARUPKMKSANW-ZDUSSCGKSA-N 2 2 226.364 1.031 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000923429830 644421623 /nfs/dbraw/zinc/42/16/23/644421623.db2.gz FOZWRTWWMQVKRI-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000923429830 644421626 /nfs/dbraw/zinc/42/16/26/644421626.db2.gz FOZWRTWWMQVKRI-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925625833 646371451 /nfs/dbraw/zinc/37/14/51/646371451.db2.gz LONLZYNINRPUMW-GFCCVEGCSA-N 2 2 224.348 1.453 20 30 BDEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000925655348 646394416 /nfs/dbraw/zinc/39/44/16/646394416.db2.gz JWQRQQJNGAAEFS-WDEREUQCSA-N 2 2 207.321 1.410 20 30 BDEDLP CC(C)(CC#N)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925689869 646414695 /nfs/dbraw/zinc/41/46/95/646414695.db2.gz CPXQNHYJXBBIPY-LLVKDONJSA-N 2 2 221.348 1.800 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccns1 ZINC000926489279 646659419 /nfs/dbraw/zinc/65/94/19/646659419.db2.gz FXLQKXBFQTULGY-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccns1 ZINC000926489279 646659425 /nfs/dbraw/zinc/65/94/25/646659425.db2.gz FXLQKXBFQTULGY-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178060107 711674577 /nfs/dbraw/zinc/67/45/77/711674577.db2.gz NOFGQJHSHURCCL-VXGBXAGGSA-N 2 2 206.333 1.615 20 30 BDEDLP C#CCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720433468 712842568 /nfs/dbraw/zinc/84/25/68/712842568.db2.gz QHSCPIAHBGIZMP-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720433468 712842569 /nfs/dbraw/zinc/84/25/69/712842569.db2.gz QHSCPIAHBGIZMP-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720433468 712842571 /nfs/dbraw/zinc/84/25/71/712842571.db2.gz QHSCPIAHBGIZMP-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720433468 712842572 /nfs/dbraw/zinc/84/25/72/712842572.db2.gz QHSCPIAHBGIZMP-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000381789149 710714960 /nfs/dbraw/zinc/71/49/60/710714960.db2.gz ZQAPVEYHICNOSA-RYUDHWBXSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000381789149 710714967 /nfs/dbraw/zinc/71/49/67/710714967.db2.gz ZQAPVEYHICNOSA-RYUDHWBXSA-N 2 2 221.348 1.610 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178060107 711674576 /nfs/dbraw/zinc/67/45/76/711674576.db2.gz NOFGQJHSHURCCL-VXGBXAGGSA-N 2 2 206.333 1.615 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)nc1 ZINC000328088771 711689398 /nfs/dbraw/zinc/68/93/98/711689398.db2.gz IGPDSNBIEAGJNE-UHFFFAOYSA-N 2 2 231.343 1.435 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)nc1 ZINC000328088771 711689399 /nfs/dbraw/zinc/68/93/99/711689399.db2.gz IGPDSNBIEAGJNE-UHFFFAOYSA-N 2 2 231.343 1.435 20 30 BDEDLP Cc1nc(NCC#CC[NH+](C)C)c(C)c(C)[nH+]1 ZINC000894876043 711774163 /nfs/dbraw/zinc/77/41/63/711774163.db2.gz MDCIJEAJRGSOAY-UHFFFAOYSA-N 2 2 232.331 1.379 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000884612845 712648067 /nfs/dbraw/zinc/64/80/67/712648067.db2.gz VXABVXCZEFINAC-CYBMUJFWSA-N 2 2 244.342 1.603 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000884612845 712648068 /nfs/dbraw/zinc/64/80/68/712648068.db2.gz VXABVXCZEFINAC-CYBMUJFWSA-N 2 2 244.342 1.603 20 30 BDEDLP C=CCC1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000717470201 712659544 /nfs/dbraw/zinc/65/95/44/712659544.db2.gz DMWKZWXQGSKGSA-UHFFFAOYSA-N 2 2 249.358 1.676 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)co1 ZINC000718031532 712737297 /nfs/dbraw/zinc/73/72/97/712737297.db2.gz QUJCOOMRTFSSQA-UHFFFAOYSA-N 2 2 220.316 1.633 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)co1 ZINC000718031532 712737298 /nfs/dbraw/zinc/73/72/98/712737298.db2.gz QUJCOOMRTFSSQA-UHFFFAOYSA-N 2 2 220.316 1.633 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000719168994 712799530 /nfs/dbraw/zinc/79/95/30/712799530.db2.gz RPUMPBJDGWCGCS-LBPRGKRZSA-N 2 2 217.316 1.577 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709392174 960554499 /nfs/dbraw/zinc/55/44/99/960554499.db2.gz QFMJQNLCIKCWPW-WSMDXJOWSA-N 2 2 207.321 1.551 20 30 BDEDLP C=C[C@](C)(O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252555827 968800656 /nfs/dbraw/zinc/80/06/56/968800656.db2.gz BVBUQYVWHQNZHH-LBPRGKRZSA-N 2 2 223.320 1.142 20 30 BDEDLP C=C[C@](C)(O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252555827 968800661 /nfs/dbraw/zinc/80/06/61/968800661.db2.gz BVBUQYVWHQNZHH-LBPRGKRZSA-N 2 2 223.320 1.142 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108231 969448429 /nfs/dbraw/zinc/44/84/29/969448429.db2.gz PLMPWPGZIYPZQR-LPWJVIDDSA-N 2 2 221.348 1.893 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108231 969448433 /nfs/dbraw/zinc/44/84/33/969448433.db2.gz PLMPWPGZIYPZQR-LPWJVIDDSA-N 2 2 221.348 1.893 20 30 BDEDLP CC1(C#N)CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001173585077 975421934 /nfs/dbraw/zinc/42/19/34/975421934.db2.gz ZEFMGWZWJYMHOZ-CPCZMJQVSA-N 2 2 237.347 1.118 20 30 BDEDLP CC1(C#N)CCC([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001173585077 975421948 /nfs/dbraw/zinc/42/19/48/975421948.db2.gz ZEFMGWZWJYMHOZ-CPCZMJQVSA-N 2 2 237.347 1.118 20 30 BDEDLP C#CC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236095041 979382321 /nfs/dbraw/zinc/38/23/21/979382321.db2.gz BRKBEHLZEJTFGK-LBPRGKRZSA-N 2 2 222.332 1.056 20 30 BDEDLP C#CCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209265784 957371912 /nfs/dbraw/zinc/37/19/12/957371912.db2.gz JBVNBHSCHZUJFX-UHFFFAOYSA-N 2 2 238.375 1.442 20 30 BDEDLP C#CCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209265784 957371924 /nfs/dbraw/zinc/37/19/24/957371924.db2.gz JBVNBHSCHZUJFX-UHFFFAOYSA-N 2 2 238.375 1.442 20 30 BDEDLP C[NH+](C)C1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001168315360 964424280 /nfs/dbraw/zinc/42/42/80/964424280.db2.gz VFMILRJUVMCKBF-UHFFFAOYSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@]1([NH3+])CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001204763396 967154671 /nfs/dbraw/zinc/15/46/71/967154671.db2.gz ISAMIUUDKWGUOE-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP C[C@]1([NH3+])CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001204763396 967154679 /nfs/dbraw/zinc/15/46/79/967154679.db2.gz ISAMIUUDKWGUOE-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP C[C@@H]1C[C@@H](CNc2ccc(CC#N)c[nH+]2)C[NH2+]1 ZINC001162555393 967862783 /nfs/dbraw/zinc/86/27/83/967862783.db2.gz SPQLXUOKPVWVJP-ZYHUDNBSSA-N 2 2 230.315 1.558 20 30 BDEDLP CCCC[N@H+](CC#N)CC1CC[NH+](C)CC1 ZINC001207398859 968749375 /nfs/dbraw/zinc/74/93/75/968749375.db2.gz RNFVRGLRVLZLPK-UHFFFAOYSA-N 2 2 223.364 1.954 20 30 BDEDLP CCCC[N@@H+](CC#N)CC1CC[NH+](C)CC1 ZINC001207398859 968749381 /nfs/dbraw/zinc/74/93/81/968749381.db2.gz RNFVRGLRVLZLPK-UHFFFAOYSA-N 2 2 223.364 1.954 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252604353 968863355 /nfs/dbraw/zinc/86/33/55/968863355.db2.gz QRBRXNZMGYQSFR-AWEZNQCLSA-N 2 2 238.375 1.484 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153907 969475396 /nfs/dbraw/zinc/47/53/96/969475396.db2.gz MFHHYKPZWTVXQM-CRWXNKLISA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153907 969475404 /nfs/dbraw/zinc/47/54/04/969475404.db2.gz MFHHYKPZWTVXQM-CRWXNKLISA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153907 969475415 /nfs/dbraw/zinc/47/54/15/969475415.db2.gz MFHHYKPZWTVXQM-CRWXNKLISA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153907 969475421 /nfs/dbraw/zinc/47/54/21/969475421.db2.gz MFHHYKPZWTVXQM-CRWXNKLISA-N 2 2 233.359 1.847 20 30 BDEDLP CN(C)/C=[NH+]/c1ccc(C2=CC[NH2+]C2)cc1C#N ZINC001243110324 970352914 /nfs/dbraw/zinc/35/29/14/970352914.db2.gz DFYGMYLITFDFDP-LICLKQGHSA-N 2 2 240.310 1.766 20 30 BDEDLP C#CC1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256069304 970637456 /nfs/dbraw/zinc/63/74/56/970637456.db2.gz ABZFISREJODCFD-UHFFFAOYSA-N 2 2 204.317 1.369 20 30 BDEDLP C[C@H](C[NH3+])[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001327840924 972755463 /nfs/dbraw/zinc/75/54/63/972755463.db2.gz UCBGUZJRILRKHN-LMWSTFAQSA-N 2 2 229.327 1.547 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1C[NH+](C)C1 ZINC001171190377 972840618 /nfs/dbraw/zinc/84/06/18/972840618.db2.gz SUJZUFMBORIKMA-LBPRGKRZSA-N 2 2 243.354 1.640 20 30 BDEDLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(C#N)o1 ZINC001330197253 974151281 /nfs/dbraw/zinc/15/12/81/974151281.db2.gz CNNYHTVWPWUUMT-VIFPVBQESA-N 2 2 207.277 1.239 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172295168 974567016 /nfs/dbraw/zinc/56/70/16/974567016.db2.gz PTMYRXOOUBMNTI-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172295168 974567023 /nfs/dbraw/zinc/56/70/23/974567023.db2.gz PTMYRXOOUBMNTI-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP Cc1[nH+]cn([C@H](C)CCCC#N)c1CC[NH3+] ZINC001172478472 974777705 /nfs/dbraw/zinc/77/77/05/974777705.db2.gz FBOIJFMMAOGEMV-SNVBAGLBSA-N 2 2 220.320 1.948 20 30 BDEDLP C=CCc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1O ZINC001236168477 979419255 /nfs/dbraw/zinc/41/92/55/979419255.db2.gz JQFHBLRWLIOHGD-CYBMUJFWSA-N 2 2 232.327 1.654 20 30 BDEDLP C=CCc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1O ZINC001236168477 979419268 /nfs/dbraw/zinc/41/92/68/979419268.db2.gz JQFHBLRWLIOHGD-CYBMUJFWSA-N 2 2 232.327 1.654 20 30 BDEDLP COCC[C@H]([NH3+])C[NH2+]Cc1ccc(C#N)s1 ZINC001579004352 985661511 /nfs/dbraw/zinc/66/15/11/985661511.db2.gz SHCZJOKAWXGCSA-VIFPVBQESA-N 2 2 239.344 1.073 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])n1 ZINC001580076156 986512916 /nfs/dbraw/zinc/51/29/16/986512916.db2.gz PDADWTKYUMIMKI-CHWSQXEVSA-N 2 2 230.315 1.313 20 30 BDEDLP CC1(C#N)CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246104153 987430632 /nfs/dbraw/zinc/43/06/32/987430632.db2.gz ZUSILTQFVXTARJ-QBHFIFKDSA-N 2 2 239.338 1.748 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246109735 987441956 /nfs/dbraw/zinc/44/19/56/987441956.db2.gz GSXLRODKWZOXKV-QJPTWQEYSA-N 2 2 209.337 1.514 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246136891 987495011 /nfs/dbraw/zinc/49/50/11/987495011.db2.gz YNILVTKYMAUENL-GMTAPVOTSA-N 2 2 205.305 1.020 20 30 BDEDLP N#Cc1cccc(OCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246324113 987730371 /nfs/dbraw/zinc/73/03/71/987730371.db2.gz GTOGSYKJCNGPFQ-CYBMUJFWSA-N 2 2 245.326 1.279 20 30 BDEDLP C#CCCC1(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)N=N1 ZINC001246516449 987865002 /nfs/dbraw/zinc/86/50/02/987865002.db2.gz TZQUQJNZZXLSKK-RYUDHWBXSA-N 2 2 234.347 1.682 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)CC[NH2+]1 ZINC001246527180 987884189 /nfs/dbraw/zinc/88/41/89/987884189.db2.gz RVBHAMUZOBLDBA-RYUDHWBXSA-N 2 2 221.348 1.943 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585281 988133351 /nfs/dbraw/zinc/13/33/51/988133351.db2.gz ZTMLEDKARNNPNA-JHJVBQTASA-N 2 2 239.338 1.832 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585281 988133356 /nfs/dbraw/zinc/13/33/56/988133356.db2.gz ZTMLEDKARNNPNA-JHJVBQTASA-N 2 2 239.338 1.832 20 30 BDEDLP C[C@@H]1CC[C@@H]([NH+]2CCC(CC#N)CC2)C[NH2+]1 ZINC001246800614 988481084 /nfs/dbraw/zinc/48/10/84/988481084.db2.gz FYIBGLDSTCRPIC-DGCLKSJQSA-N 2 2 221.348 1.753 20 30 BDEDLP N#CCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922331 988734648 /nfs/dbraw/zinc/73/46/48/988734648.db2.gz VSYXVSUVMKDOPG-KPFVRQRISA-N 2 2 219.332 1.362 20 30 BDEDLP N#CCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922331 988734659 /nfs/dbraw/zinc/73/46/59/988734659.db2.gz VSYXVSUVMKDOPG-KPFVRQRISA-N 2 2 219.332 1.362 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001258725200 991663156 /nfs/dbraw/zinc/66/31/56/991663156.db2.gz HLMFPIIJFOILKQ-GFCCVEGCSA-N 2 2 226.364 1.387 20 30 BDEDLP N#Cc1cc(C[NH2+]CCC[NH+]2CCC2)cs1 ZINC001262192530 992784492 /nfs/dbraw/zinc/78/44/92/992784492.db2.gz JBWCUSCXWDRVLA-UHFFFAOYSA-N 2 2 235.356 1.805 20 30 BDEDLP C=CCOCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386190371 398199415 /nfs/dbraw/zinc/19/94/15/398199415.db2.gz ZHGKHQAIYWEZAY-VXGBXAGGSA-N 2 2 212.337 1.309 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000602528847 349578709 /nfs/dbraw/zinc/57/87/09/349578709.db2.gz LTMSIKZVCJPGBF-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000602528847 349578712 /nfs/dbraw/zinc/57/87/12/349578712.db2.gz LTMSIKZVCJPGBF-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000602544600 349588578 /nfs/dbraw/zinc/58/85/78/349588578.db2.gz MQVOIRQZPHYABJ-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000602544600 349588582 /nfs/dbraw/zinc/58/85/82/349588582.db2.gz MQVOIRQZPHYABJ-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)CC1(C)C ZINC000600153039 342692126 /nfs/dbraw/zinc/69/21/26/342692126.db2.gz HXRXODQDYSMWKQ-NSHDSACASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)CC1(C)C ZINC000600153039 342692127 /nfs/dbraw/zinc/69/21/27/342692127.db2.gz HXRXODQDYSMWKQ-NSHDSACASA-N 2 2 221.348 1.753 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccncc2F)CC1 ZINC000449122324 398277042 /nfs/dbraw/zinc/27/70/42/398277042.db2.gz LADGMYUQPPBGJC-UHFFFAOYSA-N 2 2 249.333 1.961 20 30 BDEDLP C[C@H](C#N)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000183833406 346859541 /nfs/dbraw/zinc/85/95/41/346859541.db2.gz ATVMXYNMZBXKEF-SNVBAGLBSA-N 2 2 214.272 1.584 20 30 BDEDLP C[C@@H](CCC#N)C[N@H+](C)CC1C[NH+](C)C1 ZINC000602708703 349701069 /nfs/dbraw/zinc/70/10/69/349701069.db2.gz KQZRQWXTXSLOKX-NSHDSACASA-N 2 2 209.337 1.420 20 30 BDEDLP C[C@@H](CCC#N)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000602708703 349701072 /nfs/dbraw/zinc/70/10/72/349701072.db2.gz KQZRQWXTXSLOKX-NSHDSACASA-N 2 2 209.337 1.420 20 30 BDEDLP N#CCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846431 349782830 /nfs/dbraw/zinc/78/28/30/349782830.db2.gz PXOXFWNMCYJVPO-UHFFFAOYSA-N 2 2 230.315 1.507 20 30 BDEDLP N#CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846431 349782832 /nfs/dbraw/zinc/78/28/32/349782832.db2.gz PXOXFWNMCYJVPO-UHFFFAOYSA-N 2 2 230.315 1.507 20 30 BDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000387504296 343091134 /nfs/dbraw/zinc/09/11/34/343091134.db2.gz XYJCOBGGMHUPPQ-NWDGAFQWSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000625704617 344049868 /nfs/dbraw/zinc/04/98/68/344049868.db2.gz YZFADHQUGWBNDF-GFCCVEGCSA-N 2 2 219.332 1.861 20 30 BDEDLP C=CC[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000625704617 344049870 /nfs/dbraw/zinc/04/98/70/344049870.db2.gz YZFADHQUGWBNDF-GFCCVEGCSA-N 2 2 219.332 1.861 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158065694 344367836 /nfs/dbraw/zinc/36/78/36/344367836.db2.gz QJBDQBDFQQZUEC-GHMZBOCLSA-N 2 2 214.740 1.955 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158065694 344367837 /nfs/dbraw/zinc/36/78/37/344367837.db2.gz QJBDQBDFQQZUEC-GHMZBOCLSA-N 2 2 214.740 1.955 20 30 BDEDLP Cc1cc(NCC[NH2+]C(C)(C)C)c(C#N)c[nH+]1 ZINC000425233305 192084447 /nfs/dbraw/zinc/08/44/47/192084447.db2.gz WVVQCQXLWSFJSP-UHFFFAOYSA-N 2 2 232.331 1.484 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309503279 347087948 /nfs/dbraw/zinc/08/79/48/347087948.db2.gz VGAYGLXPJUKZJN-IJLUTSLNSA-N 2 2 218.304 1.553 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000294969015 346330703 /nfs/dbraw/zinc/33/07/03/346330703.db2.gz JTJFDYZMXMCKLP-CYBMUJFWSA-N 2 2 246.354 1.998 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000294969015 346330707 /nfs/dbraw/zinc/33/07/07/346330707.db2.gz JTJFDYZMXMCKLP-CYBMUJFWSA-N 2 2 246.354 1.998 20 30 BDEDLP CC#CC[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000641767877 362702337 /nfs/dbraw/zinc/70/23/37/362702337.db2.gz RTVDHZIYDZUKMU-LBPRGKRZSA-N 2 2 243.310 1.198 20 30 BDEDLP C[C@H](C[NH2+]CCC#N)C[NH+]1CCCCC1 ZINC000574911676 346410215 /nfs/dbraw/zinc/41/02/15/346410215.db2.gz ACTVFLQETDSICF-GFCCVEGCSA-N 2 2 209.337 1.612 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226830705 346696179 /nfs/dbraw/zinc/69/61/79/346696179.db2.gz NWLKPNKICJGCRN-TUAOUCFPSA-N 2 2 209.337 1.751 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226830705 346696181 /nfs/dbraw/zinc/69/61/81/346696181.db2.gz NWLKPNKICJGCRN-TUAOUCFPSA-N 2 2 209.337 1.751 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CC)CC1 ZINC000054181960 347478536 /nfs/dbraw/zinc/47/85/36/347478536.db2.gz IIFDGLZOJNARGT-LLVKDONJSA-N 2 2 209.337 1.753 20 30 BDEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380111653 365887998 /nfs/dbraw/zinc/88/79/98/365887998.db2.gz OJTBFMJOMPMSOE-NSHDSACASA-N 2 2 206.333 1.615 20 30 BDEDLP CC1(C#N)CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000591580013 347677432 /nfs/dbraw/zinc/67/74/32/347677432.db2.gz GMMSVYWLZPTCKY-QCXCNERSSA-N 2 2 239.338 1.748 20 30 BDEDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000591580642 347677798 /nfs/dbraw/zinc/67/77/98/347677798.db2.gz CWJHLAAPGDRUBT-RKDXNWHRSA-N 2 2 221.279 1.695 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000591579943 347677860 /nfs/dbraw/zinc/67/78/60/347677860.db2.gz ATCFQMWCFGYUFO-KXNHARMFSA-N 2 2 225.311 1.358 20 30 BDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](C#N)CCC#N ZINC000591742997 347695141 /nfs/dbraw/zinc/69/51/41/347695141.db2.gz QVIFRKAEPCMDLK-KBPBESRZSA-N 2 2 248.374 1.894 20 30 BDEDLP CC[C@@H]1C[N@H+](Cc2ccncc2C#N)CC[C@H]1[NH3+] ZINC000592489146 347786932 /nfs/dbraw/zinc/78/69/32/347786932.db2.gz RMNRJISTOVRLPT-BXUZGUMPSA-N 2 2 244.342 1.512 20 30 BDEDLP CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1[NH3+] ZINC000592489146 347786933 /nfs/dbraw/zinc/78/69/33/347786933.db2.gz RMNRJISTOVRLPT-BXUZGUMPSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCC[NH2+]1 ZINC000592470857 347790131 /nfs/dbraw/zinc/79/01/31/347790131.db2.gz NAJQOWCOGCRVJP-SWLSCSKDSA-N 2 2 243.354 1.983 20 30 BDEDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592474308 347791233 /nfs/dbraw/zinc/79/12/33/347791233.db2.gz ZXWDNCOXQOTNDH-RYUDHWBXSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592474308 347791235 /nfs/dbraw/zinc/79/12/35/347791235.db2.gz ZXWDNCOXQOTNDH-RYUDHWBXSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@](C[NH3+])([NH2+]Cc1ccncc1C#N)C1CC1 ZINC000592475389 347791468 /nfs/dbraw/zinc/79/14/68/347791468.db2.gz HMBNUSGARZQSKJ-CYBMUJFWSA-N 2 2 230.315 1.170 20 30 BDEDLP C=CCCSCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000594960063 348150309 /nfs/dbraw/zinc/15/03/09/348150309.db2.gz JEAAITBKLYPNER-NEPJUHHUSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCCSCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000594960063 348150310 /nfs/dbraw/zinc/15/03/10/348150310.db2.gz JEAAITBKLYPNER-NEPJUHHUSA-N 2 2 228.405 1.835 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623893 348291992 /nfs/dbraw/zinc/29/19/92/348291992.db2.gz XWIQPEKZGGBOQV-LBPRGKRZSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623893 348291995 /nfs/dbraw/zinc/29/19/95/348291995.db2.gz XWIQPEKZGGBOQV-LBPRGKRZSA-N 2 2 232.331 1.588 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841218 348376009 /nfs/dbraw/zinc/37/60/09/348376009.db2.gz TYJFXTQEEFTLQT-CYBMUJFWSA-N 2 2 232.331 1.817 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841218 348376013 /nfs/dbraw/zinc/37/60/13/348376013.db2.gz TYJFXTQEEFTLQT-CYBMUJFWSA-N 2 2 232.331 1.817 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000595903605 348395586 /nfs/dbraw/zinc/39/55/86/348395586.db2.gz PFZDMQANSNRRRZ-UHFFFAOYSA-N 2 2 241.338 1.524 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000595903605 348395589 /nfs/dbraw/zinc/39/55/89/348395589.db2.gz PFZDMQANSNRRRZ-UHFFFAOYSA-N 2 2 241.338 1.524 20 30 BDEDLP C[C@@H](C#N)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597082933 348658635 /nfs/dbraw/zinc/65/86/35/348658635.db2.gz OJLAIDFZDYTCEA-NSHDSACASA-N 2 2 241.298 1.517 20 30 BDEDLP C[N@@H+](Cc1cccc(C#N)c1)CC1C[NH+](C)C1 ZINC000597203808 348677947 /nfs/dbraw/zinc/67/79/47/348677947.db2.gz XSWMJPBZZITZLL-UHFFFAOYSA-N 2 2 229.327 1.552 20 30 BDEDLP C[N@H+](Cc1cccc(C#N)c1)CC1C[NH+](C)C1 ZINC000597203808 348677950 /nfs/dbraw/zinc/67/79/50/348677950.db2.gz XSWMJPBZZITZLL-UHFFFAOYSA-N 2 2 229.327 1.552 20 30 BDEDLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336742586 350492155 /nfs/dbraw/zinc/49/21/55/350492155.db2.gz XCXCIPFKKZVKJK-UTUOFQBUSA-N 2 2 209.337 1.608 20 30 BDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC#N)C1 ZINC000336715976 350471036 /nfs/dbraw/zinc/47/10/36/350471036.db2.gz VJORNEMGLIDSBK-GFCCVEGCSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000336715976 350471038 /nfs/dbraw/zinc/47/10/38/350471038.db2.gz VJORNEMGLIDSBK-GFCCVEGCSA-N 2 2 232.331 1.588 20 30 BDEDLP N#CC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334244383 352833878 /nfs/dbraw/zinc/83/38/78/352833878.db2.gz ZNXPRWQGBWGBPH-LLVKDONJSA-N 2 2 230.315 1.893 20 30 BDEDLP N#CC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334244383 352833879 /nfs/dbraw/zinc/83/38/79/352833879.db2.gz ZNXPRWQGBWGBPH-LLVKDONJSA-N 2 2 230.315 1.893 20 30 BDEDLP C[N@@H+]1CCCC12CC[NH+](CCCC#N)CC2 ZINC000334312248 352944266 /nfs/dbraw/zinc/94/42/66/352944266.db2.gz STKXHUILQGDBEO-UHFFFAOYSA-N 2 2 221.348 1.850 20 30 BDEDLP C[N@H+]1CCCC12CC[NH+](CCCC#N)CC2 ZINC000334312248 352944269 /nfs/dbraw/zinc/94/42/69/352944269.db2.gz STKXHUILQGDBEO-UHFFFAOYSA-N 2 2 221.348 1.850 20 30 BDEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000334407192 353088478 /nfs/dbraw/zinc/08/84/78/353088478.db2.gz HBTJMOUMCWPCMT-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000334407192 353088479 /nfs/dbraw/zinc/08/84/79/353088479.db2.gz HBTJMOUMCWPCMT-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC3(C#N)CC3)C2)C1 ZINC000334407192 353088483 /nfs/dbraw/zinc/08/84/83/353088483.db2.gz HBTJMOUMCWPCMT-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(C#N)CC3)C2)C1 ZINC000334407192 353088485 /nfs/dbraw/zinc/08/84/85/353088485.db2.gz HBTJMOUMCWPCMT-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343313957 353625099 /nfs/dbraw/zinc/62/50/99/353625099.db2.gz LCHOXCXDGKDNMK-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343313957 353625102 /nfs/dbraw/zinc/62/51/02/353625102.db2.gz LCHOXCXDGKDNMK-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343313957 353625104 /nfs/dbraw/zinc/62/51/04/353625104.db2.gz LCHOXCXDGKDNMK-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343313957 353625107 /nfs/dbraw/zinc/62/51/07/353625107.db2.gz LCHOXCXDGKDNMK-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(C=C)c2)CC1 ZINC000194299558 353637453 /nfs/dbraw/zinc/63/74/53/353637453.db2.gz CWSFXBKXZDQQDM-UHFFFAOYSA-N 2 2 246.358 1.724 20 30 BDEDLP C=C[C@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000289964102 353644971 /nfs/dbraw/zinc/64/49/71/353644971.db2.gz XAXBVDLPGQBVPU-GFCCVEGCSA-N 2 2 247.342 1.187 20 30 BDEDLP CC#CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000293285467 353739091 /nfs/dbraw/zinc/73/90/91/353739091.db2.gz VQDXLVQYZGDKPH-UHFFFAOYSA-N 2 2 240.310 1.722 20 30 BDEDLP CC#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000293285467 353739093 /nfs/dbraw/zinc/73/90/93/353739093.db2.gz VQDXLVQYZGDKPH-UHFFFAOYSA-N 2 2 240.310 1.722 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000344269695 354187209 /nfs/dbraw/zinc/18/72/09/354187209.db2.gz CEVIGLVCPUXVCP-OCCSQVGLSA-N 2 2 237.391 1.177 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043327119 181138331 /nfs/dbraw/zinc/13/83/31/181138331.db2.gz NKAXXMJWLIFNFQ-CYBMUJFWSA-N 2 2 215.300 1.400 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000346572794 354973054 /nfs/dbraw/zinc/97/30/54/354973054.db2.gz YIFNQQRAKYUCBM-OCCSQVGLSA-N 2 2 238.375 1.794 20 30 BDEDLP CC#CC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000335808778 355482943 /nfs/dbraw/zinc/48/29/43/355482943.db2.gz BFRLDBSNTRZQOM-UHFFFAOYSA-N 2 2 229.327 1.535 20 30 BDEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769346 356708781 /nfs/dbraw/zinc/70/87/81/356708781.db2.gz XWZREXDQSYBWRP-UONOGXRCSA-N 2 2 238.375 1.177 20 30 BDEDLP CCC#C[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769346 356708783 /nfs/dbraw/zinc/70/87/83/356708783.db2.gz XWZREXDQSYBWRP-UONOGXRCSA-N 2 2 238.375 1.177 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358279983 134187600 /nfs/dbraw/zinc/18/76/00/134187600.db2.gz ANTWQQBMSJGZEQ-OCCSQVGLSA-N 2 2 238.375 1.651 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358279983 134187601 /nfs/dbraw/zinc/18/76/01/134187601.db2.gz ANTWQQBMSJGZEQ-OCCSQVGLSA-N 2 2 238.375 1.651 20 30 BDEDLP CCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264059977 535422870 /nfs/dbraw/zinc/42/28/70/535422870.db2.gz CNOBSWXMTKOMAF-GFCCVEGCSA-N 2 2 234.347 1.214 20 30 BDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136089425 358862209 /nfs/dbraw/zinc/86/22/09/358862209.db2.gz WVFCKHMPLMIICF-RYUDHWBXSA-N 2 2 203.289 1.399 20 30 BDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136089425 358862210 /nfs/dbraw/zinc/86/22/10/358862210.db2.gz WVFCKHMPLMIICF-RYUDHWBXSA-N 2 2 203.289 1.399 20 30 BDEDLP C=C(C)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069802899 359033823 /nfs/dbraw/zinc/03/38/23/359033823.db2.gz VSTMOAGTVTVJDD-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C=C(C)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069802899 359033828 /nfs/dbraw/zinc/03/38/28/359033828.db2.gz VSTMOAGTVTVJDD-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000430031882 201138489 /nfs/dbraw/zinc/13/84/89/201138489.db2.gz AFUKYXJQOWYPOU-NEPJUHHUSA-N 2 2 233.359 1.895 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1C1CC1 ZINC000430031882 201138491 /nfs/dbraw/zinc/13/84/91/201138491.db2.gz AFUKYXJQOWYPOU-NEPJUHHUSA-N 2 2 233.359 1.895 20 30 BDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](C#N)CCC#N ZINC000573713061 364899349 /nfs/dbraw/zinc/89/93/49/364899349.db2.gz PZQCRMVEDMOBAO-ZDUSSCGKSA-N 2 2 242.326 1.966 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386145320 367920468 /nfs/dbraw/zinc/92/04/68/367920468.db2.gz RCOLSGLWUAKOCB-QWHCGFSZSA-N 2 2 226.364 1.699 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459476877 203287592 /nfs/dbraw/zinc/28/75/92/203287592.db2.gz LYQURYMZFXSCOY-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459476877 203287596 /nfs/dbraw/zinc/28/75/96/203287596.db2.gz LYQURYMZFXSCOY-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C#N)c1 ZINC000600713160 369561054 /nfs/dbraw/zinc/56/10/54/369561054.db2.gz GIZKBOZKJVOPQH-UHIISALHSA-N 2 2 229.327 1.959 20 30 BDEDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000600769574 369561549 /nfs/dbraw/zinc/56/15/49/369561549.db2.gz OVMBNPXYDAHVQC-CABZTGNLSA-N 2 2 219.288 1.239 20 30 BDEDLP N#Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)o1 ZINC000600767533 369563922 /nfs/dbraw/zinc/56/39/22/369563922.db2.gz BEPHGEGJEZAJDS-UHFFFAOYSA-N 2 2 219.288 1.512 20 30 BDEDLP C=CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000568587784 326366261 /nfs/dbraw/zinc/36/62/61/326366261.db2.gz KERLLAMAFNYLCT-GFCCVEGCSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000568587784 326366262 /nfs/dbraw/zinc/36/62/62/326366262.db2.gz KERLLAMAFNYLCT-GFCCVEGCSA-N 2 2 224.348 1.358 20 30 BDEDLP C[N@H+](Cc1ccccc1C#N)CC(C)(C)C[NH3+] ZINC000093873929 371189061 /nfs/dbraw/zinc/18/90/61/371189061.db2.gz BRHAFRBCCLSNPA-UHFFFAOYSA-N 2 2 231.343 1.975 20 30 BDEDLP C[N@@H+](Cc1ccccc1C#N)CC(C)(C)C[NH3+] ZINC000093873929 371189063 /nfs/dbraw/zinc/18/90/63/371189063.db2.gz BRHAFRBCCLSNPA-UHFFFAOYSA-N 2 2 231.343 1.975 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000335058482 384007040 /nfs/dbraw/zinc/00/70/40/384007040.db2.gz JEOISTGFPRGPBF-GXTWGEPZSA-N 2 2 227.311 1.497 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000135200415 384175947 /nfs/dbraw/zinc/17/59/47/384175947.db2.gz ANCIQEPXQIMOJW-MNOVXSKESA-N 2 2 233.315 1.724 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000135200415 384175950 /nfs/dbraw/zinc/17/59/50/384175950.db2.gz ANCIQEPXQIMOJW-MNOVXSKESA-N 2 2 233.315 1.724 20 30 BDEDLP C=C(CC)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000313497319 384429651 /nfs/dbraw/zinc/42/96/51/384429651.db2.gz KAELQURLDGVGRQ-VXGBXAGGSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248491089 384866530 /nfs/dbraw/zinc/86/65/30/384866530.db2.gz INSCLHOFTIEKNI-UTUOFQBUSA-N 2 2 224.348 1.138 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248491089 384866536 /nfs/dbraw/zinc/86/65/36/384866536.db2.gz INSCLHOFTIEKNI-UTUOFQBUSA-N 2 2 224.348 1.138 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000449127147 385126553 /nfs/dbraw/zinc/12/65/53/385126553.db2.gz WKOZJDZGMIPVEN-OUCADQQQSA-N 2 2 238.375 1.792 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000378327899 533154213 /nfs/dbraw/zinc/15/42/13/533154213.db2.gz UNYZPYRIXKVBQD-AWEZNQCLSA-N 2 2 220.360 1.818 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000378327899 533154219 /nfs/dbraw/zinc/15/42/19/533154219.db2.gz UNYZPYRIXKVBQD-AWEZNQCLSA-N 2 2 220.360 1.818 20 30 BDEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414882979 386023675 /nfs/dbraw/zinc/02/36/75/386023675.db2.gz NDVFNJQNXJCMOI-ZDUSSCGKSA-N 2 2 232.327 1.703 20 30 BDEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414883013 386026694 /nfs/dbraw/zinc/02/66/94/386026694.db2.gz NGCLSROTXMLSOH-CYBMUJFWSA-N 2 2 232.327 1.703 20 30 BDEDLP C#CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000301712354 533157097 /nfs/dbraw/zinc/15/70/97/533157097.db2.gz VOPWEADTHFMQBT-UHFFFAOYSA-N 2 2 215.300 1.145 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000417357316 386492692 /nfs/dbraw/zinc/49/26/92/386492692.db2.gz REGBSCKWEPWROS-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CC[NH+](CC=C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647958146 386703986 /nfs/dbraw/zinc/70/39/86/386703986.db2.gz AXZZQZJRELOTEZ-CYBMUJFWSA-N 2 2 226.364 1.362 20 30 BDEDLP C=CC[NH+](CC=C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647958146 386703993 /nfs/dbraw/zinc/70/39/93/386703993.db2.gz AXZZQZJRELOTEZ-CYBMUJFWSA-N 2 2 226.364 1.362 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000395409566 386827266 /nfs/dbraw/zinc/82/72/66/386827266.db2.gz XCEQYEVGVSGQEL-NWDGAFQWSA-N 2 2 226.364 1.555 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000395409563 386827911 /nfs/dbraw/zinc/82/79/11/386827911.db2.gz XCEQYEVGVSGQEL-NEPJUHHUSA-N 2 2 226.364 1.555 20 30 BDEDLP Cc1cc(NCC(C)(C)[NH+](C)C)c(C#N)c[nH+]1 ZINC000399549406 387001804 /nfs/dbraw/zinc/00/18/04/387001804.db2.gz BNOVFKCKDAFAAB-UHFFFAOYSA-N 2 2 232.331 1.436 20 30 BDEDLP Cc1cc(NC[C@H](C)[NH+](C)C)c(C#N)c[nH+]1 ZINC000399605975 387035931 /nfs/dbraw/zinc/03/59/31/387035931.db2.gz VALWAYLRFFLPNE-JTQLQIEISA-N 2 2 218.304 1.046 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000320953298 387029797 /nfs/dbraw/zinc/02/97/97/387029797.db2.gz GZPMNQIAAFVDFU-UPJWGTAASA-N 2 2 238.375 1.528 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000320953298 387029800 /nfs/dbraw/zinc/02/98/00/387029800.db2.gz GZPMNQIAAFVDFU-UPJWGTAASA-N 2 2 238.375 1.528 20 30 BDEDLP C#CCC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000270496812 387429629 /nfs/dbraw/zinc/42/96/29/387429629.db2.gz HJQONQVSYIVTIP-NSHDSACASA-N 2 2 237.372 1.119 20 30 BDEDLP C#CCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271209188 387442578 /nfs/dbraw/zinc/44/25/78/387442578.db2.gz HBYFFFYLQRKISY-STQMWFEESA-N 2 2 217.316 1.789 20 30 BDEDLP C#CCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271209188 387442583 /nfs/dbraw/zinc/44/25/83/387442583.db2.gz HBYFFFYLQRKISY-STQMWFEESA-N 2 2 217.316 1.789 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000327980312 387601776 /nfs/dbraw/zinc/60/17/76/387601776.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000327980312 387601779 /nfs/dbraw/zinc/60/17/79/387601779.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980312 387601782 /nfs/dbraw/zinc/60/17/82/387601782.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980312 387601786 /nfs/dbraw/zinc/60/17/86/387601786.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 3 2 237.391 1.014 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423017183 387842009 /nfs/dbraw/zinc/84/20/09/387842009.db2.gz VSWLMEJNWVNUOG-NWDGAFQWSA-N 2 2 212.337 1.167 20 30 BDEDLP C[N@H+]1C[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000193624285 387858850 /nfs/dbraw/zinc/85/88/50/387858850.db2.gz BLGKPBUJRVGSSJ-IYBDPMFKSA-N 2 2 240.350 1.532 20 30 BDEDLP C[N@@H+]1C[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000193624285 387858853 /nfs/dbraw/zinc/85/88/53/387858853.db2.gz BLGKPBUJRVGSSJ-IYBDPMFKSA-N 2 2 240.350 1.532 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000193624285 387858856 /nfs/dbraw/zinc/85/88/56/387858856.db2.gz BLGKPBUJRVGSSJ-IYBDPMFKSA-N 2 2 240.350 1.532 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000193624285 387858860 /nfs/dbraw/zinc/85/88/60/387858860.db2.gz BLGKPBUJRVGSSJ-IYBDPMFKSA-N 2 2 240.350 1.532 20 30 BDEDLP C=CCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424293051 387954542 /nfs/dbraw/zinc/95/45/42/387954542.db2.gz NKFACAKZENXNJK-QWHCGFSZSA-N 2 2 234.347 1.113 20 30 BDEDLP C=CCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424293051 387954547 /nfs/dbraw/zinc/95/45/47/387954547.db2.gz NKFACAKZENXNJK-QWHCGFSZSA-N 2 2 234.347 1.113 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449523334 388223582 /nfs/dbraw/zinc/22/35/82/388223582.db2.gz XNWQYYJYVYUBSV-OXHZDVMGSA-N 2 2 236.359 1.545 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449523334 388223584 /nfs/dbraw/zinc/22/35/84/388223584.db2.gz XNWQYYJYVYUBSV-OXHZDVMGSA-N 2 2 236.359 1.545 20 30 BDEDLP C#C[C@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000491375699 388289965 /nfs/dbraw/zinc/28/99/65/388289965.db2.gz XLZIXGTVSTWNTO-NSHDSACASA-N 2 2 213.284 1.788 20 30 BDEDLP C#C[C@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000491375699 388289966 /nfs/dbraw/zinc/28/99/66/388289966.db2.gz XLZIXGTVSTWNTO-NSHDSACASA-N 2 2 213.284 1.788 20 30 BDEDLP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000564202430 388681097 /nfs/dbraw/zinc/68/10/97/388681097.db2.gz IZOPXHAOAFCDRM-ZIAGYGMSSA-N 2 2 248.374 1.751 20 30 BDEDLP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000564202430 388681099 /nfs/dbraw/zinc/68/10/99/388681099.db2.gz IZOPXHAOAFCDRM-ZIAGYGMSSA-N 2 2 248.374 1.751 20 30 BDEDLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423238909 388689769 /nfs/dbraw/zinc/68/97/69/388689769.db2.gz FUFZZAXKQATAIJ-LLVKDONJSA-N 2 2 217.316 1.818 20 30 BDEDLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)cc1F ZINC000423438650 388693180 /nfs/dbraw/zinc/69/31/80/388693180.db2.gz RONAYYNHKOIFES-HDRXNWCYSA-N 2 2 245.301 1.566 20 30 BDEDLP Cc1cc(NCCC[C@@H]2CCC[NH2+]2)c(C#N)c[nH+]1 ZINC000424416505 388697095 /nfs/dbraw/zinc/69/70/95/388697095.db2.gz VIJNQVVEBXUWCH-ZDUSSCGKSA-N 2 2 244.342 1.628 20 30 BDEDLP C=C[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229319215 388785623 /nfs/dbraw/zinc/78/56/23/388785623.db2.gz ZSIAASQENGLTHT-VIFPVBQESA-N 2 2 208.309 1.150 20 30 BDEDLP Cc1[nH+]cc(C[NH2+]CCCCC#N)n1C ZINC000565236512 388929325 /nfs/dbraw/zinc/92/93/25/388929325.db2.gz BKQJBLNQQSGXIG-UHFFFAOYSA-N 2 2 206.293 1.512 20 30 BDEDLP C=CC[N@H+](CC[NH3+])CCc1ccccc1 ZINC000261535108 135168928 /nfs/dbraw/zinc/16/89/28/135168928.db2.gz NUPIXBVBIVNJLJ-UHFFFAOYSA-N 2 2 204.317 1.676 20 30 BDEDLP C=CC[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000261535108 135168929 /nfs/dbraw/zinc/16/89/29/135168929.db2.gz NUPIXBVBIVNJLJ-UHFFFAOYSA-N 2 2 204.317 1.676 20 30 BDEDLP CC[NH+](CC)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000135121944 398109419 /nfs/dbraw/zinc/10/94/19/398109419.db2.gz QRJNZYSFBSRUDI-UHFFFAOYSA-N 2 2 235.331 1.973 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000568168087 322918169 /nfs/dbraw/zinc/91/81/69/322918169.db2.gz WTESHYXBMYZZMU-VXGBXAGGSA-N 2 2 245.330 1.224 20 30 BDEDLP C=CCCCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000655489306 410796948 /nfs/dbraw/zinc/79/69/48/410796948.db2.gz OUXJXOAVGBXCCW-LBPRGKRZSA-N 2 2 241.379 1.128 20 30 BDEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+](CC)CCO)C1 ZINC000651764295 411142457 /nfs/dbraw/zinc/14/24/57/411142457.db2.gz PREAMOJCACIJBB-KBPBESRZSA-N 2 2 240.391 1.635 20 30 BDEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+](CC)CCO)C1 ZINC000651764295 411142458 /nfs/dbraw/zinc/14/24/58/411142458.db2.gz PREAMOJCACIJBB-KBPBESRZSA-N 2 2 240.391 1.635 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657658045 411571834 /nfs/dbraw/zinc/57/18/34/411571834.db2.gz KEKZXFFOQGRRRC-STQMWFEESA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657658045 411571836 /nfs/dbraw/zinc/57/18/36/411571836.db2.gz KEKZXFFOQGRRRC-STQMWFEESA-N 2 2 238.375 1.794 20 30 BDEDLP CC#CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322724 412099700 /nfs/dbraw/zinc/09/97/00/412099700.db2.gz XIRWVDFSLFSSQW-CYBMUJFWSA-N 2 2 224.348 1.052 20 30 BDEDLP CC#CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322724 412099704 /nfs/dbraw/zinc/09/97/04/412099704.db2.gz XIRWVDFSLFSSQW-CYBMUJFWSA-N 2 2 224.348 1.052 20 30 BDEDLP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCC[NH2+]1 ZINC000400470481 226344319 /nfs/dbraw/zinc/34/43/19/226344319.db2.gz XRCLEHQQJQEWFP-SMDDNHRTSA-N 2 2 229.327 1.788 20 30 BDEDLP C[NH+]1CCN(CC/[NH+]=C/c2ccccc2O)CC1 ZINC000073053457 487812538 /nfs/dbraw/zinc/81/25/38/487812538.db2.gz NSBAGSXQRCMLFF-NTCAYCPXSA-N 2 2 247.342 1.059 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccncn1 ZINC000396013888 323282639 /nfs/dbraw/zinc/28/26/39/323282639.db2.gz JAFNZFMYVTXBJV-LBPRGKRZSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccncn1 ZINC000396013888 323282643 /nfs/dbraw/zinc/28/26/43/323282643.db2.gz JAFNZFMYVTXBJV-LBPRGKRZSA-N 2 2 232.331 1.082 20 30 BDEDLP C=CCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563969510 323335983 /nfs/dbraw/zinc/33/59/83/323335983.db2.gz XLMYELGBYDKQCL-CYBMUJFWSA-N 2 2 238.375 1.748 20 30 BDEDLP C=CCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563969510 323335986 /nfs/dbraw/zinc/33/59/86/323335986.db2.gz XLMYELGBYDKQCL-CYBMUJFWSA-N 2 2 238.375 1.748 20 30 BDEDLP COCC#CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000685004444 487491768 /nfs/dbraw/zinc/49/17/68/487491768.db2.gz ZTCXVFCMXNPWAJ-UHFFFAOYSA-N 2 2 224.348 1.054 20 30 BDEDLP COCC#CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000685004444 487491771 /nfs/dbraw/zinc/49/17/71/487491771.db2.gz ZTCXVFCMXNPWAJ-UHFFFAOYSA-N 2 2 224.348 1.054 20 30 BDEDLP C=CC[N@@H+](CCOC)Cc1c[nH+]c(C)n1C ZINC000668054843 488196031 /nfs/dbraw/zinc/19/60/31/488196031.db2.gz IQCOXMHWIDZSNU-UHFFFAOYSA-N 2 2 223.320 1.363 20 30 BDEDLP C=CC[N@H+](CCOC)Cc1c[nH+]c(C)n1C ZINC000668054843 488196034 /nfs/dbraw/zinc/19/60/34/488196034.db2.gz IQCOXMHWIDZSNU-UHFFFAOYSA-N 2 2 223.320 1.363 20 30 BDEDLP C=C(CC)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358496014 534389769 /nfs/dbraw/zinc/38/97/69/534389769.db2.gz IYOTZFPMXRSINT-UHFFFAOYSA-N 2 2 234.347 1.494 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000341871661 534402419 /nfs/dbraw/zinc/40/24/19/534402419.db2.gz CADGYCLGEKKYFP-DYEKYZERSA-N 2 2 238.375 1.243 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000341871661 534402428 /nfs/dbraw/zinc/40/24/28/534402428.db2.gz CADGYCLGEKKYFP-DYEKYZERSA-N 2 2 238.375 1.243 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC#N)[C@@H]2C1 ZINC000361107545 536464195 /nfs/dbraw/zinc/46/41/95/536464195.db2.gz QAXBLXHQDSLMTH-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCCC#N)[C@@H]2C1 ZINC000361107545 536464197 /nfs/dbraw/zinc/46/41/97/536464197.db2.gz QAXBLXHQDSLMTH-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCCC#N)[C@@H]2C1 ZINC000361107545 536464198 /nfs/dbraw/zinc/46/41/98/536464198.db2.gz QAXBLXHQDSLMTH-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC#N)[C@@H]2C1 ZINC000361107545 536464201 /nfs/dbraw/zinc/46/42/01/536464201.db2.gz QAXBLXHQDSLMTH-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C=CCCCCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000234285499 566416418 /nfs/dbraw/zinc/41/64/18/566416418.db2.gz ZXECETLSVABJHB-CYBMUJFWSA-N 2 2 226.364 1.653 20 30 BDEDLP C=CCCCCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000234285499 566416423 /nfs/dbraw/zinc/41/64/23/566416423.db2.gz ZXECETLSVABJHB-CYBMUJFWSA-N 2 2 226.364 1.653 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)ccnc1N ZINC000894863395 583536497 /nfs/dbraw/zinc/53/64/97/583536497.db2.gz BJNKHYDYPTYHPE-UHFFFAOYSA-N 2 2 246.358 1.017 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)ccnc1N ZINC000894863395 583536498 /nfs/dbraw/zinc/53/64/98/583536498.db2.gz BJNKHYDYPTYHPE-UHFFFAOYSA-N 2 2 246.358 1.017 20 30 BDEDLP COCCCN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000794542634 583608044 /nfs/dbraw/zinc/60/80/44/583608044.db2.gz SCIHBZIKVTXDEO-UHFFFAOYSA-N 2 2 236.319 1.108 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000895203032 583624117 /nfs/dbraw/zinc/62/41/17/583624117.db2.gz VALXXLLJLTZALA-LLVKDONJSA-N 2 2 245.330 1.028 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000895203032 583624118 /nfs/dbraw/zinc/62/41/18/583624118.db2.gz VALXXLLJLTZALA-LLVKDONJSA-N 2 2 245.330 1.028 20 30 BDEDLP C[C@H](CC[NH2+]Cc1cccc(C#N)n1)[NH+](C)C ZINC000895293134 583639851 /nfs/dbraw/zinc/63/98/51/583639851.db2.gz VBZUISJLLVQXQQ-LLVKDONJSA-N 2 2 232.331 1.383 20 30 BDEDLP C=CC(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000898460801 584137830 /nfs/dbraw/zinc/13/78/30/584137830.db2.gz SSZUBLXTYLQBGE-UHFFFAOYSA-N 2 2 222.336 1.540 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466832 584614998 /nfs/dbraw/zinc/61/49/98/584614998.db2.gz NJGMFHIAXXGRLB-RXGFPQBGSA-N 2 2 219.332 1.551 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902468999 584615751 /nfs/dbraw/zinc/61/57/51/584615751.db2.gz NJGMFHIAXXGRLB-OBPIAQAESA-N 2 2 219.332 1.551 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cn(C)nn2)CC1 ZINC000902796384 584674156 /nfs/dbraw/zinc/67/41/56/584674156.db2.gz PFWBJDJBPAMANF-LLVKDONJSA-N 2 2 249.362 1.116 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[NH2+]CC1 ZINC000903421619 584763690 /nfs/dbraw/zinc/76/36/90/584763690.db2.gz PTDCGOHAZMUDAY-UHFFFAOYSA-N 2 2 243.354 1.970 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[NH2+]CC1 ZINC000903421619 584763692 /nfs/dbraw/zinc/76/36/92/584763692.db2.gz PTDCGOHAZMUDAY-UHFFFAOYSA-N 2 2 243.354 1.970 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000903453853 584773004 /nfs/dbraw/zinc/77/30/04/584773004.db2.gz NSRSCMKPZXTQKU-IUODEOHRSA-N 2 2 243.354 1.954 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000903453853 584773005 /nfs/dbraw/zinc/77/30/05/584773005.db2.gz NSRSCMKPZXTQKU-IUODEOHRSA-N 2 2 243.354 1.954 20 30 BDEDLP c1nncn1[NH+]=C1CCCC[C@H]1[NH+]1CCCCC1 ZINC000748779188 585196008 /nfs/dbraw/zinc/19/60/08/585196008.db2.gz XVNPMYURDPLTQA-CYBMUJFWSA-N 2 2 247.346 1.911 20 30 BDEDLP CC(=[NH+]N1CC[NH+](C)CC1)c1ccc(N)cc1C ZINC000758090187 585348848 /nfs/dbraw/zinc/34/88/48/585348848.db2.gz NTAYLOXABPXPEE-UHFFFAOYSA-N 2 2 246.358 1.549 20 30 BDEDLP CC#CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000766064389 585497217 /nfs/dbraw/zinc/49/72/17/585497217.db2.gz NNCMTRXRCWFOBQ-UHFFFAOYSA-N 2 2 245.326 1.408 20 30 BDEDLP C#CCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000766895560 585509368 /nfs/dbraw/zinc/50/93/68/585509368.db2.gz LVUIRFMPLCCCPD-ZDUSSCGKSA-N 2 2 217.316 1.933 20 30 BDEDLP C#CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000766895560 585509369 /nfs/dbraw/zinc/50/93/69/585509369.db2.gz LVUIRFMPLCCCPD-ZDUSSCGKSA-N 2 2 217.316 1.933 20 30 BDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000775572986 585680801 /nfs/dbraw/zinc/68/08/01/585680801.db2.gz FFZXUBHRUFUHCE-KGLIPLIRSA-N 2 2 236.359 1.241 20 30 BDEDLP COC[C@@H](C)N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000777894648 585722185 /nfs/dbraw/zinc/72/21/85/585722185.db2.gz NFASHVDAYOAKNF-SNVBAGLBSA-N 2 2 236.319 1.106 20 30 BDEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783299749 585833234 /nfs/dbraw/zinc/83/32/34/585833234.db2.gz FLCJFGZRGXPKNS-UHFFFAOYSA-N 2 2 244.342 1.527 20 30 BDEDLP Cc1ccc[nH+]c1[C@H]1CCCC(N=NC(N)=[NH2+])C1 ZINC000799108776 586157081 /nfs/dbraw/zinc/15/70/81/586157081.db2.gz JGLJRWZXGWIFQT-JTQLQIEISA-N 2 2 245.330 1.887 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817903370 586836042 /nfs/dbraw/zinc/83/60/42/586836042.db2.gz AAWINCKTOVKSBL-MNOVXSKESA-N 2 2 230.739 1.096 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000817932772 586842825 /nfs/dbraw/zinc/84/28/25/586842825.db2.gz WNFOINJHDHOYLS-KBPBESRZSA-N 2 2 244.342 1.703 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnnn2C)CC1 ZINC000820809486 587073934 /nfs/dbraw/zinc/07/39/34/587073934.db2.gz BREYHSLTHQCAFC-LLVKDONJSA-N 2 2 249.362 1.116 20 30 BDEDLP C#CC[C@@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000821206324 587101572 /nfs/dbraw/zinc/10/15/72/587101572.db2.gz BUMGKVGGABNZJZ-LBPRGKRZSA-N 2 2 243.310 1.117 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000826535480 587353581 /nfs/dbraw/zinc/35/35/81/587353581.db2.gz XWALHSLGBNNSNX-LBPRGKRZSA-N 2 2 217.316 1.574 20 30 BDEDLP C#C[C@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000826535480 587353582 /nfs/dbraw/zinc/35/35/82/587353582.db2.gz XWALHSLGBNNSNX-LBPRGKRZSA-N 2 2 217.316 1.574 20 30 BDEDLP C#CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000829810095 587518766 /nfs/dbraw/zinc/51/87/66/587518766.db2.gz LSKSGPQPQKWTME-AWEZNQCLSA-N 2 2 231.343 1.927 20 30 BDEDLP C#CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000829810095 587518768 /nfs/dbraw/zinc/51/87/68/587518768.db2.gz LSKSGPQPQKWTME-AWEZNQCLSA-N 2 2 231.343 1.927 20 30 BDEDLP C#CCOCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000851858364 588636008 /nfs/dbraw/zinc/63/60/08/588636008.db2.gz MHYWCGUWIQQTKB-ZIAGYGMSSA-N 2 2 247.342 1.416 20 30 BDEDLP C#CCOCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000851858364 588636009 /nfs/dbraw/zinc/63/60/09/588636009.db2.gz MHYWCGUWIQQTKB-ZIAGYGMSSA-N 2 2 247.342 1.416 20 30 BDEDLP C[NH2+]CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000852748764 588699417 /nfs/dbraw/zinc/69/94/17/588699417.db2.gz CPWXDQMAXNFZHF-UHFFFAOYSA-N 2 2 217.316 1.252 20 30 BDEDLP C[NH2+]CC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000852748764 588699418 /nfs/dbraw/zinc/69/94/18/588699418.db2.gz CPWXDQMAXNFZHF-UHFFFAOYSA-N 2 2 217.316 1.252 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573000 590809658 /nfs/dbraw/zinc/80/96/58/590809658.db2.gz TXDRKTLUOYAXTR-GHMZBOCLSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573000 590809659 /nfs/dbraw/zinc/80/96/59/590809659.db2.gz TXDRKTLUOYAXTR-GHMZBOCLSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573000 590809661 /nfs/dbraw/zinc/80/96/61/590809661.db2.gz TXDRKTLUOYAXTR-GHMZBOCLSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573000 590809662 /nfs/dbraw/zinc/80/96/62/590809662.db2.gz TXDRKTLUOYAXTR-GHMZBOCLSA-N 2 2 214.740 1.765 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880204950 590958582 /nfs/dbraw/zinc/95/85/82/590958582.db2.gz MWXNCTVPPAZMMC-CQSZACIVSA-N 2 2 236.359 1.243 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880204950 590958583 /nfs/dbraw/zinc/95/85/83/590958583.db2.gz MWXNCTVPPAZMMC-CQSZACIVSA-N 2 2 236.359 1.243 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccncc1F ZINC000883131049 591546545 /nfs/dbraw/zinc/54/65/45/591546545.db2.gz DHLFLFNTEYWJHV-UHFFFAOYSA-N 2 2 235.306 1.265 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccncc1F ZINC000883131049 591546548 /nfs/dbraw/zinc/54/65/48/591546548.db2.gz DHLFLFNTEYWJHV-UHFFFAOYSA-N 2 2 235.306 1.265 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883131068 591547455 /nfs/dbraw/zinc/54/74/55/591547455.db2.gz FEJHONHTUAJJOZ-UHFFFAOYSA-N 2 2 248.374 1.578 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883131068 591547458 /nfs/dbraw/zinc/54/74/58/591547458.db2.gz FEJHONHTUAJJOZ-UHFFFAOYSA-N 2 2 248.374 1.578 20 30 BDEDLP C#CCC1([NH2+]C[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000887121895 592445848 /nfs/dbraw/zinc/44/58/48/592445848.db2.gz AVZWZBJLLKSUQR-CYBMUJFWSA-N 2 2 236.359 1.243 20 30 BDEDLP C#CCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000887121895 592445850 /nfs/dbraw/zinc/44/58/50/592445850.db2.gz AVZWZBJLLKSUQR-CYBMUJFWSA-N 2 2 236.359 1.243 20 30 BDEDLP C=CC[C@@H]1CC[N@H+]1CCc1c[nH+]cn1C ZINC000934460762 631850039 /nfs/dbraw/zinc/85/00/39/631850039.db2.gz QYDNLPHYHUWJGI-LLVKDONJSA-N 2 2 205.305 1.613 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+]1CCc1c[nH+]cn1C ZINC000934460762 631850043 /nfs/dbraw/zinc/85/00/43/631850043.db2.gz QYDNLPHYHUWJGI-LLVKDONJSA-N 2 2 205.305 1.613 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000934462626 631854198 /nfs/dbraw/zinc/85/41/98/631854198.db2.gz YUOAOGNCZCCMJF-GFCCVEGCSA-N 2 2 205.305 1.924 20 30 BDEDLP C=CC[C@@H]1CC[N@H+]1CCCn1cc[nH+]c1 ZINC000934462626 631854200 /nfs/dbraw/zinc/85/42/00/631854200.db2.gz YUOAOGNCZCCMJF-GFCCVEGCSA-N 2 2 205.305 1.924 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200991 636034468 /nfs/dbraw/zinc/03/44/68/636034468.db2.gz XMGXVPXJYPFWIP-PSASIEDQSA-N 2 2 202.729 1.656 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200991 636034472 /nfs/dbraw/zinc/03/44/72/636034472.db2.gz XMGXVPXJYPFWIP-PSASIEDQSA-N 2 2 202.729 1.656 20 30 BDEDLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(C#N)cs1 ZINC000902446430 637303403 /nfs/dbraw/zinc/30/34/03/637303403.db2.gz OOKWAPVILOKUKZ-JGVFFNPUSA-N 2 2 224.333 1.230 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329360 644345715 /nfs/dbraw/zinc/34/57/15/644345715.db2.gz HOTOMLZJDSRHHW-CHWSQXEVSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329360 644345717 /nfs/dbraw/zinc/34/57/17/644345717.db2.gz HOTOMLZJDSRHHW-CHWSQXEVSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000924983293 646150352 /nfs/dbraw/zinc/15/03/52/646150352.db2.gz DOIUOOBUVGYHOU-DGCLKSJQSA-N 2 2 224.348 1.261 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925629335 646374020 /nfs/dbraw/zinc/37/40/20/646374020.db2.gz JOJPFSVBDRKYOI-IPYPFGDCSA-N 2 2 248.370 1.849 20 30 BDEDLP CC(C)(CC#N)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925689871 646415249 /nfs/dbraw/zinc/41/52/49/646415249.db2.gz CPXQNHYJXBBIPY-NSHDSACASA-N 2 2 221.348 1.800 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710027169 712242222 /nfs/dbraw/zinc/24/22/22/712242222.db2.gz ILJYUNFXNMNJGQ-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710027169 712242224 /nfs/dbraw/zinc/24/22/24/712242224.db2.gz ILJYUNFXNMNJGQ-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000719168993 712799484 /nfs/dbraw/zinc/79/94/84/712799484.db2.gz RPUMPBJDGWCGCS-GFCCVEGCSA-N 2 2 217.316 1.577 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(CC)o1 ZINC000383040859 710868702 /nfs/dbraw/zinc/86/87/02/710868702.db2.gz HEOSTHGMKKTGCW-UHFFFAOYSA-N 2 2 234.343 1.887 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(CC)o1 ZINC000383040859 710868706 /nfs/dbraw/zinc/86/87/06/710868706.db2.gz HEOSTHGMKKTGCW-UHFFFAOYSA-N 2 2 234.343 1.887 20 30 BDEDLP C[C@H](CCC#N)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706259640 712142883 /nfs/dbraw/zinc/14/28/83/712142883.db2.gz PCBSGMZRBIUKJB-MCIONIFRSA-N 2 2 235.375 1.952 20 30 BDEDLP C[C@H](CCC#N)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706259640 712142884 /nfs/dbraw/zinc/14/28/84/712142884.db2.gz PCBSGMZRBIUKJB-MCIONIFRSA-N 2 2 235.375 1.952 20 30 BDEDLP C[C@H](CCC#N)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000706259640 712142885 /nfs/dbraw/zinc/14/28/85/712142885.db2.gz PCBSGMZRBIUKJB-MCIONIFRSA-N 2 2 235.375 1.952 20 30 BDEDLP C[C@H](CCC#N)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000706259640 712142886 /nfs/dbraw/zinc/14/28/86/712142886.db2.gz PCBSGMZRBIUKJB-MCIONIFRSA-N 2 2 235.375 1.952 20 30 BDEDLP C[NH+](C)C1(C)CC[NH+](CCOCCC#N)CC1 ZINC000709925289 712233813 /nfs/dbraw/zinc/23/38/13/712233813.db2.gz XFOVPWGSSKDZFJ-UHFFFAOYSA-N 2 2 239.363 1.333 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532853 969734128 /nfs/dbraw/zinc/73/41/28/969734128.db2.gz YGXUONANRIWKCO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532853 969734139 /nfs/dbraw/zinc/73/41/39/969734139.db2.gz YGXUONANRIWKCO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532853 969734147 /nfs/dbraw/zinc/73/41/47/969734147.db2.gz YGXUONANRIWKCO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532853 969734159 /nfs/dbraw/zinc/73/41/59/969734159.db2.gz YGXUONANRIWKCO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C#CC1([NH2+]C2CC[NH+](CCCOC)CC2)CC1 ZINC001172245845 974511055 /nfs/dbraw/zinc/51/10/55/974511055.db2.gz AZABFHNJDIKDIB-UHFFFAOYSA-N 2 2 236.359 1.243 20 30 BDEDLP C=CC[NH2+]CC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222447447 972488600 /nfs/dbraw/zinc/48/86/00/972488600.db2.gz XRFWVWCHAOPIPK-UHFFFAOYSA-N 3 2 237.391 1.228 20 30 BDEDLP C#CC[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243103 961014271 /nfs/dbraw/zinc/01/42/71/961014271.db2.gz VUSTYIVSPJDORB-UHFFFAOYSA-N 2 2 225.295 1.937 20 30 BDEDLP C#CC[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243103 961014292 /nfs/dbraw/zinc/01/42/92/961014292.db2.gz VUSTYIVSPJDORB-UHFFFAOYSA-N 2 2 225.295 1.937 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924984103 962812642 /nfs/dbraw/zinc/81/26/42/962812642.db2.gz NMFUPAYNTWSDBN-LBPRGKRZSA-N 2 2 246.358 1.778 20 30 BDEDLP Cc1ccc(CC#N)c(N2CC3(C2)C[NH+](C)C3)[nH+]1 ZINC001158868835 963948527 /nfs/dbraw/zinc/94/85/27/963948527.db2.gz QMJBEXZUHZMVAH-UHFFFAOYSA-N 2 2 242.326 1.208 20 30 BDEDLP C#Cc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236871187 966601112 /nfs/dbraw/zinc/60/11/12/966601112.db2.gz YQNXXQSTOYKCAO-AWEZNQCLSA-N 2 2 216.328 1.837 20 30 BDEDLP C#Cc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236871187 966601125 /nfs/dbraw/zinc/60/11/25/966601125.db2.gz YQNXXQSTOYKCAO-AWEZNQCLSA-N 2 2 216.328 1.837 20 30 BDEDLP CCc1cc(C#N)ccc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206744552 968449983 /nfs/dbraw/zinc/44/99/83/968449983.db2.gz JPDLYYFTIHYGDU-UHFFFAOYSA-N 2 2 243.354 1.901 20 30 BDEDLP C=C[C@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001252560071 968808369 /nfs/dbraw/zinc/80/83/69/968808369.db2.gz MZBDMYXJJKLGQU-ZDUSSCGKSA-N 2 2 235.331 1.457 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[NH+](C)C ZINC000829179724 968822481 /nfs/dbraw/zinc/82/24/81/968822481.db2.gz OLIPFUYFXMELGV-MNOVXSKESA-N 2 2 211.353 1.854 20 30 BDEDLP SCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254849868 969806759 /nfs/dbraw/zinc/80/67/59/969806759.db2.gz YWPHUYGFNACXRI-LLVKDONJSA-N 2 2 214.378 1.380 20 30 BDEDLP C[NH+]1CC(C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173329914 975279953 /nfs/dbraw/zinc/27/99/53/975279953.db2.gz LQGCGGDOTNYYFH-UHFFFAOYSA-N 2 2 221.348 1.610 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(S)CC2)O1 ZINC001235897046 979189346 /nfs/dbraw/zinc/18/93/46/979189346.db2.gz LHJXOCYDXHSFEJ-VIFPVBQESA-N 2 2 230.377 1.105 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235990203 979274423 /nfs/dbraw/zinc/27/44/23/979274423.db2.gz LSBAFPDDQLGAKR-TZMCWYRMSA-N 2 2 243.310 1.187 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235990203 979274439 /nfs/dbraw/zinc/27/44/39/979274439.db2.gz LSBAFPDDQLGAKR-TZMCWYRMSA-N 2 2 243.310 1.187 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001252586170 983836387 /nfs/dbraw/zinc/83/63/87/983836387.db2.gz DDGPJPFFDSRZJD-LBPRGKRZSA-N 2 2 223.320 1.190 20 30 BDEDLP C[N@H+](CCC1([NH3+])CCOCC1)CC(C)(C)C#N ZINC001578461972 985091349 /nfs/dbraw/zinc/09/13/49/985091349.db2.gz HBXZAUJFNZTSQD-UHFFFAOYSA-N 2 2 239.363 1.366 20 30 BDEDLP C[N@@H+](CCC1([NH3+])CCOCC1)CC(C)(C)C#N ZINC001578461972 985091358 /nfs/dbraw/zinc/09/13/58/985091358.db2.gz HBXZAUJFNZTSQD-UHFFFAOYSA-N 2 2 239.363 1.366 20 30 BDEDLP N#CCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246104195 987433590 /nfs/dbraw/zinc/43/35/90/987433590.db2.gz ZZTYEEIUPGRVFW-IFWUJCSASA-N 2 2 239.338 1.748 20 30 BDEDLP N#Cc1ccccc1OCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246331987 987738685 /nfs/dbraw/zinc/73/86/85/987738685.db2.gz XZHFUXIRKFGJBP-ZDUSSCGKSA-N 2 2 245.326 1.279 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526310 987879217 /nfs/dbraw/zinc/87/92/17/987879217.db2.gz AMEXMZRMDZWYEE-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526310 987879219 /nfs/dbraw/zinc/87/92/19/987879219.db2.gz AMEXMZRMDZWYEE-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC001573310829 992472340 /nfs/dbraw/zinc/47/23/40/992472340.db2.gz PLKUGBVCSZHKOI-TUAOUCFPSA-N 2 2 210.321 1.062 20 30 BDEDLP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001262562984 992915471 /nfs/dbraw/zinc/91/54/71/992915471.db2.gz QSYQFJSNGZSDDI-STQMWFEESA-N 2 2 234.347 1.361 20 30 BDEDLP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001262562984 992915482 /nfs/dbraw/zinc/91/54/82/992915482.db2.gz QSYQFJSNGZSDDI-STQMWFEESA-N 2 2 234.347 1.361 20 30 BDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000424290048 398179596 /nfs/dbraw/zinc/17/95/96/398179596.db2.gz AUUDOKOCMPVOOZ-NWDGAFQWSA-N 2 2 249.362 1.036 20 30 BDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000424290048 398179600 /nfs/dbraw/zinc/17/96/00/398179600.db2.gz AUUDOKOCMPVOOZ-NWDGAFQWSA-N 2 2 249.362 1.036 20 30 BDEDLP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251574516 398237171 /nfs/dbraw/zinc/23/71/71/398237171.db2.gz CDAPNGIMSAADCV-SMDDNHRTSA-N 2 2 229.327 1.727 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251574516 398237173 /nfs/dbraw/zinc/23/71/73/398237173.db2.gz CDAPNGIMSAADCV-SMDDNHRTSA-N 2 2 229.327 1.727 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607729364 342783904 /nfs/dbraw/zinc/78/39/04/342783904.db2.gz VNZPBCRNYURQDY-GFCCVEGCSA-N 2 2 203.289 1.543 20 30 BDEDLP CC#CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607729364 342783905 /nfs/dbraw/zinc/78/39/05/342783905.db2.gz VNZPBCRNYURQDY-GFCCVEGCSA-N 2 2 203.289 1.543 20 30 BDEDLP C=CCSCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000566925590 323026260 /nfs/dbraw/zinc/02/62/60/323026260.db2.gz AFBIKIFQFRTMFI-UHFFFAOYSA-N 2 2 225.361 1.737 20 30 BDEDLP CC[N@H+](CCc1c[nH+]cn1C)C[C@@H](C)C#N ZINC000602770393 349724932 /nfs/dbraw/zinc/72/49/32/349724932.db2.gz RTWLWUYHAKQIQM-NSHDSACASA-N 2 2 220.320 1.444 20 30 BDEDLP CC[N@@H+](CCc1c[nH+]cn1C)C[C@@H](C)C#N ZINC000602770393 349724934 /nfs/dbraw/zinc/72/49/34/349724934.db2.gz RTWLWUYHAKQIQM-NSHDSACASA-N 2 2 220.320 1.444 20 30 BDEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC#N)CCC2 ZINC000576980683 365741009 /nfs/dbraw/zinc/74/10/09/365741009.db2.gz UNHSSQYZIZBDLT-NSHDSACASA-N 2 2 218.304 1.572 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351574326 136369391 /nfs/dbraw/zinc/36/93/91/136369391.db2.gz NTQSXTQIBPXBOL-ZDUSSCGKSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351574326 136369392 /nfs/dbraw/zinc/36/93/92/136369392.db2.gz NTQSXTQIBPXBOL-ZDUSSCGKSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351574326 136369393 /nfs/dbraw/zinc/36/93/93/136369393.db2.gz NTQSXTQIBPXBOL-ZDUSSCGKSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351574326 136369394 /nfs/dbraw/zinc/36/93/94/136369394.db2.gz NTQSXTQIBPXBOL-ZDUSSCGKSA-N 2 2 224.348 1.092 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000379458820 343522835 /nfs/dbraw/zinc/52/28/35/343522835.db2.gz QCBQFYIHFXHCNH-NEPJUHHUSA-N 2 2 219.332 1.507 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000379458820 343522837 /nfs/dbraw/zinc/52/28/37/343522837.db2.gz QCBQFYIHFXHCNH-NEPJUHHUSA-N 2 2 219.332 1.507 20 30 BDEDLP COCC[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000071230855 343636703 /nfs/dbraw/zinc/63/67/03/343636703.db2.gz SHQQNOHOKFGBKK-UHFFFAOYSA-N 2 2 236.319 1.135 20 30 BDEDLP COCC[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000071230855 343636704 /nfs/dbraw/zinc/63/67/04/343636704.db2.gz SHQQNOHOKFGBKK-UHFFFAOYSA-N 2 2 236.319 1.135 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000390506392 537796077 /nfs/dbraw/zinc/79/60/77/537796077.db2.gz XGTHOSONQLSAJN-AAEUAGOBSA-N 2 2 224.348 1.261 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000390506392 537796089 /nfs/dbraw/zinc/79/60/89/537796089.db2.gz XGTHOSONQLSAJN-AAEUAGOBSA-N 2 2 224.348 1.261 20 30 BDEDLP C=CC[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000625704618 344049576 /nfs/dbraw/zinc/04/95/76/344049576.db2.gz YZFADHQUGWBNDF-LBPRGKRZSA-N 2 2 219.332 1.861 20 30 BDEDLP C=CC[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000625704618 344049578 /nfs/dbraw/zinc/04/95/78/344049578.db2.gz YZFADHQUGWBNDF-LBPRGKRZSA-N 2 2 219.332 1.861 20 30 BDEDLP CC(C)([NH3+])C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600777089 344371569 /nfs/dbraw/zinc/37/15/69/344371569.db2.gz YUFIBAWYKVCRTI-UHFFFAOYSA-N 2 2 243.354 1.848 20 30 BDEDLP CC(C)([NH3+])C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600777089 344371570 /nfs/dbraw/zinc/37/15/70/344371570.db2.gz YUFIBAWYKVCRTI-UHFFFAOYSA-N 2 2 243.354 1.848 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404252984 530063837 /nfs/dbraw/zinc/06/38/37/530063837.db2.gz LNKBOANOEYMHES-ZDUSSCGKSA-N 2 2 247.317 1.881 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404252984 530063838 /nfs/dbraw/zinc/06/38/38/530063838.db2.gz LNKBOANOEYMHES-ZDUSSCGKSA-N 2 2 247.317 1.881 20 30 BDEDLP C#C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123091762 344985442 /nfs/dbraw/zinc/98/54/42/344985442.db2.gz TXWCRMFIMVTUDC-GFCCVEGCSA-N 2 2 229.327 1.662 20 30 BDEDLP Cc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c(C#N)c[nH+]1 ZINC000425243689 192084967 /nfs/dbraw/zinc/08/49/67/192084967.db2.gz FQMSYCDSDLARNF-YPMHNXCESA-N 2 2 244.342 1.578 20 30 BDEDLP Cc1cc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(C#N)c[nH+]1 ZINC000425243689 192084969 /nfs/dbraw/zinc/08/49/69/192084969.db2.gz FQMSYCDSDLARNF-YPMHNXCESA-N 2 2 244.342 1.578 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccnn1C ZINC000294877120 346314422 /nfs/dbraw/zinc/31/44/22/346314422.db2.gz DDFZMUPNBFOKRG-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309892518 347194265 /nfs/dbraw/zinc/19/42/65/347194265.db2.gz DEZMSMNBJRGGEM-VXGBXAGGSA-N 2 2 223.364 1.999 20 30 BDEDLP Cc1cc(NCCc2c[nH+]cn2C)c(C#N)c[nH+]1 ZINC000401632283 347433425 /nfs/dbraw/zinc/43/34/25/347433425.db2.gz AMQSRCYKNNEYBT-UHFFFAOYSA-N 2 2 241.298 1.072 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577266 347676711 /nfs/dbraw/zinc/67/67/11/347676711.db2.gz KRMWXUUVCQEZNK-JQWIXIFHSA-N 2 2 207.321 1.410 20 30 BDEDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C#N)c1 ZINC000591577326 347677983 /nfs/dbraw/zinc/67/79/83/347677983.db2.gz QHUGFXRKACCPIB-LLVKDONJSA-N 2 2 229.327 1.961 20 30 BDEDLP CC[C@H]1C[N@H+](Cc2ccncc2C#N)CC[C@@H]1[NH3+] ZINC000592489148 347786951 /nfs/dbraw/zinc/78/69/51/347786951.db2.gz RMNRJISTOVRLPT-FZMZJTMJSA-N 2 2 244.342 1.512 20 30 BDEDLP CC[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1[NH3+] ZINC000592489148 347786953 /nfs/dbraw/zinc/78/69/53/347786953.db2.gz RMNRJISTOVRLPT-FZMZJTMJSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCC[NH2+]1 ZINC000592470856 347790121 /nfs/dbraw/zinc/79/01/21/347790121.db2.gz NAJQOWCOGCRVJP-IUODEOHRSA-N 2 2 243.354 1.983 20 30 BDEDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592474306 347791253 /nfs/dbraw/zinc/79/12/53/347791253.db2.gz ZXWDNCOXQOTNDH-NEPJUHHUSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592474306 347791255 /nfs/dbraw/zinc/79/12/55/347791255.db2.gz ZXWDNCOXQOTNDH-NEPJUHHUSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000449558686 201967110 /nfs/dbraw/zinc/96/71/10/201967110.db2.gz ZHTDBXUWIMDIKF-QJPTWQEYSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)cc1 ZINC000596653346 348606888 /nfs/dbraw/zinc/60/68/88/348606888.db2.gz JVJPRDXFDZPVCU-NUYPLMSZSA-N 2 2 241.338 1.961 20 30 BDEDLP Cc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1C#N ZINC000597207793 348679172 /nfs/dbraw/zinc/67/91/72/348679172.db2.gz VPFVGXDDXPVCOZ-UHFFFAOYSA-N 2 2 243.354 1.860 20 30 BDEDLP Cc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1C#N ZINC000597207793 348679174 /nfs/dbraw/zinc/67/91/74/348679174.db2.gz VPFVGXDDXPVCOZ-UHFFFAOYSA-N 2 2 243.354 1.860 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000599086911 349090860 /nfs/dbraw/zinc/09/08/60/349090860.db2.gz BDLLVJFRCBJIMW-AVGNSLFASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000599086911 349090863 /nfs/dbraw/zinc/09/08/63/349090863.db2.gz BDLLVJFRCBJIMW-AVGNSLFASA-N 2 2 221.348 1.753 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccn1 ZINC000392827081 323387276 /nfs/dbraw/zinc/38/72/76/323387276.db2.gz ZJIJIWNJBZATIE-CYBMUJFWSA-N 2 2 231.343 1.687 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1C ZINC000129174558 351007969 /nfs/dbraw/zinc/00/79/69/351007969.db2.gz RTKVBEDSSAVGLX-WDEREUQCSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1C ZINC000129174558 351007971 /nfs/dbraw/zinc/00/79/71/351007971.db2.gz RTKVBEDSSAVGLX-WDEREUQCSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H]1C[NH+]=C(NCCCCNc2cccc[nH+]2)N1 ZINC000285070062 352019928 /nfs/dbraw/zinc/01/99/28/352019928.db2.gz MONGOOBKYFIKNE-LLVKDONJSA-N 2 2 247.346 1.211 20 30 BDEDLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C#N)CC1 ZINC000415139649 352587176 /nfs/dbraw/zinc/58/71/76/352587176.db2.gz LZUMWYMOZWEKQC-LBPRGKRZSA-N 2 2 209.337 1.595 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336752438 353083756 /nfs/dbraw/zinc/08/37/56/353083756.db2.gz GVYXOHZVIWJCSR-RYUDHWBXSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336752438 353083758 /nfs/dbraw/zinc/08/37/58/353083758.db2.gz GVYXOHZVIWJCSR-RYUDHWBXSA-N 2 2 212.337 1.119 20 30 BDEDLP C[C@H](C#N)C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343282184 353342522 /nfs/dbraw/zinc/34/25/22/353342522.db2.gz JHKNAYXCFJVPQP-GFCCVEGCSA-N 2 2 232.331 1.897 20 30 BDEDLP C[C@H](C#N)C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343282184 353342524 /nfs/dbraw/zinc/34/25/24/353342524.db2.gz JHKNAYXCFJVPQP-GFCCVEGCSA-N 2 2 232.331 1.897 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296474 353407163 /nfs/dbraw/zinc/40/71/63/353407163.db2.gz DGJXSAQJMGDJCD-CHWSQXEVSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296474 353407167 /nfs/dbraw/zinc/40/71/67/353407167.db2.gz DGJXSAQJMGDJCD-CHWSQXEVSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296474 353407170 /nfs/dbraw/zinc/40/71/70/353407170.db2.gz DGJXSAQJMGDJCD-CHWSQXEVSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296474 353407174 /nfs/dbraw/zinc/40/71/74/353407174.db2.gz DGJXSAQJMGDJCD-CHWSQXEVSA-N 2 2 235.375 1.952 20 30 BDEDLP C=C(C)C[N@H+](CC)CCc1c[nH+]cn1C ZINC000290109022 353649197 /nfs/dbraw/zinc/64/91/97/353649197.db2.gz SOSWCFCHHGNAQX-UHFFFAOYSA-N 2 2 207.321 1.861 20 30 BDEDLP C=C(C)C[N@@H+](CC)CCc1c[nH+]cn1C ZINC000290109022 353649201 /nfs/dbraw/zinc/64/92/01/353649201.db2.gz SOSWCFCHHGNAQX-UHFFFAOYSA-N 2 2 207.321 1.861 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343319360 353673221 /nfs/dbraw/zinc/67/32/21/353673221.db2.gz ZUBICCHXIPTRRS-LLVKDONJSA-N 2 2 207.321 1.174 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343319360 353673224 /nfs/dbraw/zinc/67/32/24/353673224.db2.gz ZUBICCHXIPTRRS-LLVKDONJSA-N 2 2 207.321 1.174 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000292734749 353722562 /nfs/dbraw/zinc/72/25/62/353722562.db2.gz IHUUQAILUIBHBG-UHFFFAOYSA-N 2 2 244.342 1.721 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000292734749 353722567 /nfs/dbraw/zinc/72/25/67/353722567.db2.gz IHUUQAILUIBHBG-UHFFFAOYSA-N 2 2 244.342 1.721 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000167403151 355990862 /nfs/dbraw/zinc/99/08/62/355990862.db2.gz WNPKRGOVUNDIGR-RYUDHWBXSA-N 2 2 226.364 1.650 20 30 BDEDLP C=C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351488164 355999951 /nfs/dbraw/zinc/99/99/51/355999951.db2.gz DEFZJZYMDYJHTF-CYBMUJFWSA-N 2 2 224.348 1.094 20 30 BDEDLP C=C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351488164 355999955 /nfs/dbraw/zinc/99/99/55/355999955.db2.gz DEFZJZYMDYJHTF-CYBMUJFWSA-N 2 2 224.348 1.094 20 30 BDEDLP Cc1cc(NCC[N@H+]2CC=CCC2)c(C#N)c[nH+]1 ZINC000399383293 356484744 /nfs/dbraw/zinc/48/47/44/356484744.db2.gz JUMBBQRVIPHDAT-UHFFFAOYSA-N 2 2 242.326 1.357 20 30 BDEDLP Cc1cc(NCC[N@@H+]2CC=CCC2)c(C#N)c[nH+]1 ZINC000399383293 356484748 /nfs/dbraw/zinc/48/47/48/356484748.db2.gz JUMBBQRVIPHDAT-UHFFFAOYSA-N 2 2 242.326 1.357 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450400756 202153074 /nfs/dbraw/zinc/15/30/74/202153074.db2.gz HLTKHRJBMPXBCX-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450400756 202153077 /nfs/dbraw/zinc/15/30/77/202153077.db2.gz HLTKHRJBMPXBCX-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP N#CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000397283378 357510920 /nfs/dbraw/zinc/51/09/20/357510920.db2.gz IKJBLBKXGSTSAP-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C=CCCCCC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000193339171 357878200 /nfs/dbraw/zinc/87/82/00/357878200.db2.gz KHTIBHCJSGFZCV-AWEZNQCLSA-N 2 2 240.391 1.995 20 30 BDEDLP C=CCCCCC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000193339171 357878206 /nfs/dbraw/zinc/87/82/06/357878206.db2.gz KHTIBHCJSGFZCV-AWEZNQCLSA-N 2 2 240.391 1.995 20 30 BDEDLP CCN(CC)C(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269947022 535389541 /nfs/dbraw/zinc/38/95/41/535389541.db2.gz HZXGZPSTOZESGI-UHFFFAOYSA-N 2 2 234.347 1.589 20 30 BDEDLP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)C#N ZINC000124993647 358530812 /nfs/dbraw/zinc/53/08/12/358530812.db2.gz WTGYNSXQVFQSNN-QWHCGFSZSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)C#N ZINC000124993647 358530816 /nfs/dbraw/zinc/53/08/16/358530816.db2.gz WTGYNSXQVFQSNN-QWHCGFSZSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)C#N ZINC000124993647 358530818 /nfs/dbraw/zinc/53/08/18/358530818.db2.gz WTGYNSXQVFQSNN-QWHCGFSZSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](C)C#N ZINC000124993647 358530822 /nfs/dbraw/zinc/53/08/22/358530822.db2.gz WTGYNSXQVFQSNN-QWHCGFSZSA-N 2 2 223.364 1.952 20 30 BDEDLP C=CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858137 359034748 /nfs/dbraw/zinc/03/47/48/359034748.db2.gz UNCPQAGBLNFZMY-CYBMUJFWSA-N 2 2 224.348 1.217 20 30 BDEDLP C=CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858137 359034749 /nfs/dbraw/zinc/03/47/49/359034749.db2.gz UNCPQAGBLNFZMY-CYBMUJFWSA-N 2 2 224.348 1.217 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnccn1 ZINC000294886230 364778635 /nfs/dbraw/zinc/77/86/35/364778635.db2.gz DQOGBGDQBOYAPG-LBPRGKRZSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnccn1 ZINC000294886230 364778637 /nfs/dbraw/zinc/77/86/37/364778637.db2.gz DQOGBGDQBOYAPG-LBPRGKRZSA-N 2 2 232.331 1.082 20 30 BDEDLP Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1C#N ZINC000600702994 369559842 /nfs/dbraw/zinc/55/98/42/369559842.db2.gz JETCFPUUWBFSOE-UHFFFAOYSA-N 2 2 229.327 1.662 20 30 BDEDLP Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1C#N ZINC000600702994 369559845 /nfs/dbraw/zinc/55/98/45/369559845.db2.gz JETCFPUUWBFSOE-UHFFFAOYSA-N 2 2 229.327 1.662 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000600769563 369561460 /nfs/dbraw/zinc/56/14/60/369561460.db2.gz OSTMEWJXODNGEK-ZDUSSCGKSA-N 2 2 231.299 1.337 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000600769563 369561464 /nfs/dbraw/zinc/56/14/64/369561464.db2.gz OSTMEWJXODNGEK-ZDUSSCGKSA-N 2 2 231.299 1.337 20 30 BDEDLP C[NH+](C)CCC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602659925 369835895 /nfs/dbraw/zinc/83/58/95/369835895.db2.gz WBLASZLXANKEJH-UHFFFAOYSA-N 2 2 232.331 1.337 20 30 BDEDLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602659925 369835901 /nfs/dbraw/zinc/83/59/01/369835901.db2.gz WBLASZLXANKEJH-UHFFFAOYSA-N 2 2 232.331 1.337 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334532 371485733 /nfs/dbraw/zinc/48/57/33/371485733.db2.gz BSZWBHZDSPBTPB-AVGNSLFASA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334532 371485739 /nfs/dbraw/zinc/48/57/39/371485739.db2.gz BSZWBHZDSPBTPB-AVGNSLFASA-N 2 2 226.364 1.243 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1F ZINC000335024791 384011651 /nfs/dbraw/zinc/01/16/51/384011651.db2.gz FETPDNVALSRHTG-OLZOCXBDSA-N 2 2 233.290 1.667 20 30 BDEDLP CNC(NC[C@H](c1ccccc1)[NH+](C)C)=[NH+]C ZINC000161480143 384493006 /nfs/dbraw/zinc/49/30/06/384493006.db2.gz LOCJIOWFQCYDAY-GFCCVEGCSA-N 2 2 234.347 1.084 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000394150965 384587004 /nfs/dbraw/zinc/58/70/04/384587004.db2.gz IJXZOXIOMDOFSZ-ZDUSSCGKSA-N 2 2 248.374 1.509 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000394150965 384587015 /nfs/dbraw/zinc/58/70/15/384587015.db2.gz IJXZOXIOMDOFSZ-ZDUSSCGKSA-N 2 2 248.374 1.509 20 30 BDEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NC(C)(C)C ZINC000162895754 384703801 /nfs/dbraw/zinc/70/38/01/384703801.db2.gz YILLNSZOATUIHG-UHFFFAOYSA-N 2 2 234.347 1.635 20 30 BDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@@H](C)O)C(C)C ZINC000644562668 384970709 /nfs/dbraw/zinc/97/07/09/384970709.db2.gz DFVLMVHGRAJTBB-ZIAGYGMSSA-N 2 2 240.391 1.655 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308989335 385333833 /nfs/dbraw/zinc/33/38/33/385333833.db2.gz KSGGVFUZGKKQCT-VXGBXAGGSA-N 2 2 209.337 1.608 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308989335 385333836 /nfs/dbraw/zinc/33/38/36/385333836.db2.gz KSGGVFUZGKKQCT-VXGBXAGGSA-N 2 2 209.337 1.608 20 30 BDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)C ZINC000491671199 385434905 /nfs/dbraw/zinc/43/49/05/385434905.db2.gz FHLPDENFVCHEQB-CQSZACIVSA-N 2 2 238.375 1.345 20 30 BDEDLP N#CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000336172916 385493373 /nfs/dbraw/zinc/49/33/73/385493373.db2.gz ARDCBUWDCMJPHT-TZMCWYRMSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000336172916 385493375 /nfs/dbraw/zinc/49/33/75/385493375.db2.gz ARDCBUWDCMJPHT-TZMCWYRMSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000336172916 385493379 /nfs/dbraw/zinc/49/33/79/385493379.db2.gz ARDCBUWDCMJPHT-TZMCWYRMSA-N 2 2 233.359 1.849 20 30 BDEDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000086727083 386489970 /nfs/dbraw/zinc/48/99/70/386489970.db2.gz HJQXMAYVMXBCRF-MFKMUULPSA-N 2 2 215.300 1.571 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[NH2+]CCOC ZINC000423317960 387159984 /nfs/dbraw/zinc/15/99/84/387159984.db2.gz BKGYOXOPKKRZBP-NEPJUHHUSA-N 2 2 214.353 1.413 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(C#N)cs1 ZINC000352822651 387512884 /nfs/dbraw/zinc/51/28/84/387512884.db2.gz KPXACGWJLZAPEV-VIFPVBQESA-N 2 2 247.327 1.390 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423124016 387903565 /nfs/dbraw/zinc/90/35/65/387903565.db2.gz NWMXHJNKUQDODT-QLFBSQMISA-N 2 2 246.354 1.616 20 30 BDEDLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424200060 387928923 /nfs/dbraw/zinc/92/89/23/387928923.db2.gz QXFPJMQJFIQETB-WCQYABFASA-N 2 2 244.342 1.929 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318160 387968456 /nfs/dbraw/zinc/96/84/56/387968456.db2.gz CPIKYRGKVVYUPG-CIQGVGRVSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318160 387968459 /nfs/dbraw/zinc/96/84/59/387968459.db2.gz CPIKYRGKVVYUPG-CIQGVGRVSA-N 2 2 233.359 1.751 20 30 BDEDLP C[NH+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449269707 388164866 /nfs/dbraw/zinc/16/48/66/388164866.db2.gz NXWIHDFXCCAENA-UHFFFAOYSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449319148 388172631 /nfs/dbraw/zinc/17/26/31/388172631.db2.gz IYQILPIKWPURRV-HIFPTAJRSA-N 2 2 223.364 1.999 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449394864 388193516 /nfs/dbraw/zinc/19/35/16/388193516.db2.gz HGPFBKDYCYXEKU-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449394864 388193518 /nfs/dbraw/zinc/19/35/18/388193518.db2.gz HGPFBKDYCYXEKU-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447186 388208732 /nfs/dbraw/zinc/20/87/32/388208732.db2.gz WOQGDMOLHFOKRN-MROQNXINSA-N 2 2 221.348 1.608 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447186 388208734 /nfs/dbraw/zinc/20/87/34/388208734.db2.gz WOQGDMOLHFOKRN-MROQNXINSA-N 2 2 221.348 1.608 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)(C)C ZINC000491679622 388310483 /nfs/dbraw/zinc/31/04/83/388310483.db2.gz XRFYBXUGRUFMCW-GFCCVEGCSA-N 2 2 248.374 1.624 20 30 BDEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000573267191 388437597 /nfs/dbraw/zinc/43/75/97/388437597.db2.gz AEXIIIMXLNHDQR-TZMCWYRMSA-N 2 2 249.358 1.799 20 30 BDEDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000037749425 388618054 /nfs/dbraw/zinc/61/80/54/388618054.db2.gz GNMUQPWXKRZZQG-FZMZJTMJSA-N 2 2 247.342 1.131 20 30 BDEDLP C=CCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727345 388562985 /nfs/dbraw/zinc/56/29/85/388562985.db2.gz KHIJMARFKSDHTC-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000414867466 388665777 /nfs/dbraw/zinc/66/57/77/388665777.db2.gz OFXPPTFGGZVGMU-CYBMUJFWSA-N 2 2 245.326 1.408 20 30 BDEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093770224 388747413 /nfs/dbraw/zinc/74/74/13/388747413.db2.gz BTFJWODJDKUNFB-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093770224 388747415 /nfs/dbraw/zinc/74/74/15/388747415.db2.gz BTFJWODJDKUNFB-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093770224 388747416 /nfs/dbraw/zinc/74/74/16/388747416.db2.gz BTFJWODJDKUNFB-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093770224 388747418 /nfs/dbraw/zinc/74/74/18/388747418.db2.gz BTFJWODJDKUNFB-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP C=CC[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000169108508 134249545 /nfs/dbraw/zinc/24/95/45/134249545.db2.gz YFMUAXZJGXNTFM-SNVBAGLBSA-N 2 2 222.336 1.540 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000336779127 134966797 /nfs/dbraw/zinc/96/67/97/134966797.db2.gz NGHLUMAALLHOHV-QWHCGFSZSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000336779127 134966799 /nfs/dbraw/zinc/96/67/99/134966799.db2.gz NGHLUMAALLHOHV-QWHCGFSZSA-N 2 2 226.364 1.651 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251352701 135069230 /nfs/dbraw/zinc/06/92/30/135069230.db2.gz NCFSERUAEWNKDS-UPJWGTAASA-N 2 2 221.348 1.895 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251352701 135069231 /nfs/dbraw/zinc/06/92/31/135069231.db2.gz NCFSERUAEWNKDS-UPJWGTAASA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@H]1C[NH+]=C(NCCc2[nH]c3ccccc3[nH+]2)N1 ZINC000262479594 135118864 /nfs/dbraw/zinc/11/88/64/135118864.db2.gz CSWMGRFVWTUSHI-VIFPVBQESA-N 2 2 243.314 1.043 20 30 BDEDLP CNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000264000903 135129544 /nfs/dbraw/zinc/12/95/44/135129544.db2.gz ZBNMNXKRHAQUAP-UHFFFAOYSA-N 2 2 245.330 1.269 20 30 BDEDLP CCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264075086 135131635 /nfs/dbraw/zinc/13/16/35/135131635.db2.gz GYFJZFGIDAXLFH-CYBMUJFWSA-N 2 2 248.374 1.604 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000295001223 135188051 /nfs/dbraw/zinc/18/80/51/135188051.db2.gz LZNSDFXRAYPXQT-ZDUSSCGKSA-N 2 2 248.374 1.334 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000295001223 135188053 /nfs/dbraw/zinc/18/80/53/135188053.db2.gz LZNSDFXRAYPXQT-ZDUSSCGKSA-N 2 2 248.374 1.334 20 30 BDEDLP Cn1c[nH+]cc1CNC(=[NH2+])N1CCCCCC1 ZINC000262317109 135293173 /nfs/dbraw/zinc/29/31/73/135293173.db2.gz QYWDEYQTVOIPSX-UHFFFAOYSA-N 2 2 235.335 1.111 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000293580418 135377298 /nfs/dbraw/zinc/37/72/98/135377298.db2.gz AOQIDEUNOYIQKZ-CHWSQXEVSA-N 2 2 246.358 1.434 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000293580418 135377299 /nfs/dbraw/zinc/37/72/99/135377299.db2.gz AOQIDEUNOYIQKZ-CHWSQXEVSA-N 2 2 246.358 1.434 20 30 BDEDLP C=CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)COC ZINC000661240827 410402244 /nfs/dbraw/zinc/40/22/44/410402244.db2.gz RWHAIONYZWTTHW-GFCCVEGCSA-N 2 2 223.320 1.406 20 30 BDEDLP C=CC[N@H+](CCn1cc[nH+]c1)[C@H](C)COC ZINC000661240827 410402249 /nfs/dbraw/zinc/40/22/49/410402249.db2.gz RWHAIONYZWTTHW-GFCCVEGCSA-N 2 2 223.320 1.406 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000177908542 166352809 /nfs/dbraw/zinc/35/28/09/166352809.db2.gz RFYJQFKULLOZJG-LBPRGKRZSA-N 2 2 248.374 1.721 20 30 BDEDLP CCC#C[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644736 411452342 /nfs/dbraw/zinc/45/23/42/411452342.db2.gz JKBOMAZNNDWYDJ-GFCCVEGCSA-N 2 2 232.331 1.334 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](CC)C2)CC1 ZINC000657353289 411474386 /nfs/dbraw/zinc/47/43/86/411474386.db2.gz PSUHCLVQJIFMID-UONOGXRCSA-N 2 2 238.375 1.794 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314683 411494642 /nfs/dbraw/zinc/49/46/42/411494642.db2.gz ZGAFOZCDVMOABR-NSHDSACASA-N 2 2 243.314 1.272 20 30 BDEDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135151336 170008608 /nfs/dbraw/zinc/00/86/08/170008608.db2.gz ITADSLZKPZNDJW-NSHDSACASA-N 2 2 233.315 1.583 20 30 BDEDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135151336 170008609 /nfs/dbraw/zinc/00/86/09/170008609.db2.gz ITADSLZKPZNDJW-NSHDSACASA-N 2 2 233.315 1.583 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000328524250 170012637 /nfs/dbraw/zinc/01/26/37/170012637.db2.gz STFXRGUYUAMVBK-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000328524250 170012639 /nfs/dbraw/zinc/01/26/39/170012639.db2.gz STFXRGUYUAMVBK-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP C=CCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657582917 411554670 /nfs/dbraw/zinc/55/46/70/411554670.db2.gz NPLRXLMAXLSOMO-UHFFFAOYSA-N 2 2 201.273 2.000 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000657658166 411572026 /nfs/dbraw/zinc/57/20/26/411572026.db2.gz NYRLRGIXPBBSBQ-VXGBXAGGSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000657658166 411572027 /nfs/dbraw/zinc/57/20/27/411572027.db2.gz NYRLRGIXPBBSBQ-VXGBXAGGSA-N 2 2 212.337 1.119 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660431201 411583818 /nfs/dbraw/zinc/58/38/18/411583818.db2.gz YCIYQVFIBZBLAH-KBPBESRZSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660431201 411583820 /nfs/dbraw/zinc/58/38/20/411583820.db2.gz YCIYQVFIBZBLAH-KBPBESRZSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660431201 411583822 /nfs/dbraw/zinc/58/38/22/411583822.db2.gz YCIYQVFIBZBLAH-KBPBESRZSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660431201 411583823 /nfs/dbraw/zinc/58/38/23/411583823.db2.gz YCIYQVFIBZBLAH-KBPBESRZSA-N 2 2 240.391 1.728 20 30 BDEDLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C#N ZINC000190874792 173055758 /nfs/dbraw/zinc/05/57/58/173055758.db2.gz RDNCCVPINSNCAN-LBPRGKRZSA-N 2 2 232.331 1.081 20 30 BDEDLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C#N ZINC000190874792 173055761 /nfs/dbraw/zinc/05/57/61/173055761.db2.gz RDNCCVPINSNCAN-LBPRGKRZSA-N 2 2 232.331 1.081 20 30 BDEDLP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000566748402 323013026 /nfs/dbraw/zinc/01/30/26/323013026.db2.gz JPCMEZVWMSJPAW-LLVKDONJSA-N 2 2 223.320 1.003 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccn1 ZINC000392827081 323387273 /nfs/dbraw/zinc/38/72/73/323387273.db2.gz ZJIJIWNJBZATIE-CYBMUJFWSA-N 2 2 231.343 1.687 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C#N)CCC#N ZINC000572393341 323620064 /nfs/dbraw/zinc/62/00/64/323620064.db2.gz GEPMYTWFTLWVLZ-NWDGAFQWSA-N 2 2 231.303 1.305 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000568168084 326318787 /nfs/dbraw/zinc/31/87/87/326318787.db2.gz WTESHYXBMYZZMU-NEPJUHHUSA-N 2 2 245.330 1.224 20 30 BDEDLP Cc1[nH+]ccn1CCC[NH+]1CC(C)(C#N)C1 ZINC000569171421 326393493 /nfs/dbraw/zinc/39/34/93/326393493.db2.gz FCLGRGKSZQSTDQ-UHFFFAOYSA-N 2 2 218.304 1.427 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000573267189 326438712 /nfs/dbraw/zinc/43/87/12/326438712.db2.gz AEXIIIMXLNHDQR-JSGCOSHPSA-N 2 2 249.358 1.799 20 30 BDEDLP COCC#CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677478718 488048091 /nfs/dbraw/zinc/04/80/91/488048091.db2.gz CAWRCEDACIBNQX-AWEZNQCLSA-N 2 2 238.375 1.442 20 30 BDEDLP COCC#CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677478718 488048094 /nfs/dbraw/zinc/04/80/94/488048094.db2.gz CAWRCEDACIBNQX-AWEZNQCLSA-N 2 2 238.375 1.442 20 30 BDEDLP COCC#CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000677478718 488048097 /nfs/dbraw/zinc/04/80/97/488048097.db2.gz CAWRCEDACIBNQX-AWEZNQCLSA-N 2 2 238.375 1.442 20 30 BDEDLP COCC#CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000677478718 488048099 /nfs/dbraw/zinc/04/80/99/488048099.db2.gz CAWRCEDACIBNQX-AWEZNQCLSA-N 2 2 238.375 1.442 20 30 BDEDLP C=CC[NH+](CC=C)CCCn1cc[nH+]c1 ZINC000183160186 491120932 /nfs/dbraw/zinc/12/09/32/491120932.db2.gz LKWMVFXOHVFFLR-UHFFFAOYSA-N 2 2 205.305 1.947 20 30 BDEDLP C[N@H+](CCCCC#N)C1CC[NH+](CCO)CC1 ZINC000357652079 536328821 /nfs/dbraw/zinc/32/88/21/536328821.db2.gz UJAJTVSWOGPHOH-UHFFFAOYSA-N 2 2 239.363 1.069 20 30 BDEDLP C[N@@H+](CCCCC#N)C1CC[NH+](CCO)CC1 ZINC000357652079 536328823 /nfs/dbraw/zinc/32/88/23/536328823.db2.gz UJAJTVSWOGPHOH-UHFFFAOYSA-N 2 2 239.363 1.069 20 30 BDEDLP C=CCC(C)(C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000261555221 534553702 /nfs/dbraw/zinc/55/37/02/534553702.db2.gz PNBUWBBSLOVXIN-CHWSQXEVSA-N 2 2 240.391 1.945 20 30 BDEDLP C#C[C@H](C)[N@H+](C)Cc1c(C)cc[nH+]c1N ZINC000894574520 583486527 /nfs/dbraw/zinc/48/65/27/583486527.db2.gz VERORGNHJWUFCC-JTQLQIEISA-N 2 2 203.289 1.426 20 30 BDEDLP C#C[C@H](C)[N@@H+](C)Cc1c(C)cc[nH+]c1N ZINC000894574520 583486528 /nfs/dbraw/zinc/48/65/28/583486528.db2.gz VERORGNHJWUFCC-JTQLQIEISA-N 2 2 203.289 1.426 20 30 BDEDLP C=C(CC[NH+](C)C)C(=O)Nc1c[nH+]ccc1OC ZINC000900455530 584313160 /nfs/dbraw/zinc/31/31/60/584313160.db2.gz VMBKHFGBLILSJP-UHFFFAOYSA-N 2 2 249.314 1.537 20 30 BDEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000902445991 584599074 /nfs/dbraw/zinc/59/90/74/584599074.db2.gz NOGAKMJYFXBUID-PSASIEDQSA-N 2 2 236.344 1.232 20 30 BDEDLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902780187 584669686 /nfs/dbraw/zinc/66/96/86/584669686.db2.gz CDRRNKQPHBFBMO-NWDGAFQWSA-N 2 2 246.358 1.944 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000903090662 584725872 /nfs/dbraw/zinc/72/58/72/584725872.db2.gz FRMVJLJTAPYTAA-ZIAGYGMSSA-N 2 2 238.375 1.794 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000903422306 584764507 /nfs/dbraw/zinc/76/45/07/584764507.db2.gz XRWCAZDPVRTRNU-CYBMUJFWSA-N 2 2 229.327 1.708 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000903422306 584764509 /nfs/dbraw/zinc/76/45/09/584764509.db2.gz XRWCAZDPVRTRNU-CYBMUJFWSA-N 2 2 229.327 1.708 20 30 BDEDLP CCCO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000842553636 584995948 /nfs/dbraw/zinc/99/59/48/584995948.db2.gz JUJIJDIDMMWLCT-UHFFFAOYSA-N 2 2 207.277 1.908 20 30 BDEDLP Cc1cc[nH+]cc1CCC=NN1CC[NH+](C)CC1 ZINC000776721597 585703301 /nfs/dbraw/zinc/70/33/01/585703301.db2.gz HTIPYTZTCWBVRA-UHFFFAOYSA-N 2 2 246.358 1.556 20 30 BDEDLP C#CC[N@H+](CC#CC)CCC[NH+]1CCCCC1 ZINC000781893525 585804622 /nfs/dbraw/zinc/80/46/22/585804622.db2.gz INHSHHKWXCCHCB-UHFFFAOYSA-N 2 2 232.371 1.821 20 30 BDEDLP C#CC[N@@H+](CC#CC)CCC[NH+]1CCCCC1 ZINC000781893525 585804623 /nfs/dbraw/zinc/80/46/23/585804623.db2.gz INHSHHKWXCCHCB-UHFFFAOYSA-N 2 2 232.371 1.821 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000785996557 585884840 /nfs/dbraw/zinc/88/48/40/585884840.db2.gz DVMLKKCJDNGTIX-KGLIPLIRSA-N 2 2 238.375 1.484 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000785996557 585884841 /nfs/dbraw/zinc/88/48/41/585884841.db2.gz DVMLKKCJDNGTIX-KGLIPLIRSA-N 2 2 238.375 1.484 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000799717497 586194244 /nfs/dbraw/zinc/19/42/44/586194244.db2.gz HPCSJRSTZKBQEX-XJFOESAGSA-N 2 2 249.358 1.131 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000799717497 586194246 /nfs/dbraw/zinc/19/42/46/586194246.db2.gz HPCSJRSTZKBQEX-XJFOESAGSA-N 2 2 249.358 1.131 20 30 BDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000809935799 586524453 /nfs/dbraw/zinc/52/44/53/586524453.db2.gz MGPWNSNPHLJKSY-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000809935799 586524454 /nfs/dbraw/zinc/52/44/54/586524454.db2.gz MGPWNSNPHLJKSY-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000809935799 586524455 /nfs/dbraw/zinc/52/44/55/586524455.db2.gz MGPWNSNPHLJKSY-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000809935799 586524456 /nfs/dbraw/zinc/52/44/56/586524456.db2.gz MGPWNSNPHLJKSY-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000815651707 586690064 /nfs/dbraw/zinc/69/00/64/586690064.db2.gz AMEWPXZHTBQZET-LLVKDONJSA-N 2 2 234.347 1.324 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000815651707 586690065 /nfs/dbraw/zinc/69/00/65/586690065.db2.gz AMEWPXZHTBQZET-LLVKDONJSA-N 2 2 234.347 1.324 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000817904163 586837206 /nfs/dbraw/zinc/83/72/06/586837206.db2.gz XVUXQEHVIHOZFY-UWVGGRQHSA-N 2 2 202.729 1.859 20 30 BDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000817944660 586845859 /nfs/dbraw/zinc/84/58/59/586845859.db2.gz JCAKIMUYOYUTBD-GXTWGEPZSA-N 2 2 244.338 1.711 20 30 BDEDLP C#CC[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000829814816 587519266 /nfs/dbraw/zinc/51/92/66/587519266.db2.gz ACTTWTYGKQSOTE-CYBMUJFWSA-N 2 2 231.343 1.698 20 30 BDEDLP C#CC[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000829814816 587519268 /nfs/dbraw/zinc/51/92/68/587519268.db2.gz ACTTWTYGKQSOTE-CYBMUJFWSA-N 2 2 231.343 1.698 20 30 BDEDLP N#Cc1cnccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347726 588102516 /nfs/dbraw/zinc/10/25/16/588102516.db2.gz JGCAGAWXPHFCPF-LLVKDONJSA-N 2 2 230.315 1.124 20 30 BDEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347726 588102517 /nfs/dbraw/zinc/10/25/17/588102517.db2.gz JGCAGAWXPHFCPF-LLVKDONJSA-N 2 2 230.315 1.124 20 30 BDEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848910594 588419379 /nfs/dbraw/zinc/41/93/79/588419379.db2.gz NLIANCTYNAGYQE-TZMCWYRMSA-N 2 2 236.359 1.241 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000852750391 588700236 /nfs/dbraw/zinc/70/02/36/588700236.db2.gz SYVXJRZELZQKRB-FKTZTGRPSA-N 2 2 202.729 1.715 20 30 BDEDLP C#CC[C@@H](COC)[NH2+]CCCc1c[nH+]ccc1C ZINC000862550319 589220704 /nfs/dbraw/zinc/22/07/04/589220704.db2.gz LFLYFGOLJZGWRH-HNNXBMFYSA-N 2 2 246.354 1.951 20 30 BDEDLP CCNc1ccccc1C=[NH+]NC1=[NH+]C[C@@H](C)N1 ZINC000872364437 589920909 /nfs/dbraw/zinc/92/09/09/589920909.db2.gz LFMBFNPVJPQPNM-SNVBAGLBSA-N 2 2 245.330 1.390 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OC1CCOCC1 ZINC000872366445 589921270 /nfs/dbraw/zinc/92/12/70/589921270.db2.gz BFMWHHDBMVXAMW-UHFFFAOYSA-N 2 2 235.287 1.502 20 30 BDEDLP C#CC[N@H+](CCC[NH+](CC)CC)C1CSC1 ZINC000878910355 590641393 /nfs/dbraw/zinc/64/13/93/590641393.db2.gz SDBGQQBPDOVAFF-UHFFFAOYSA-N 2 2 240.416 1.769 20 30 BDEDLP C#CC[N@@H+](CCC[NH+](CC)CC)C1CSC1 ZINC000878910355 590641392 /nfs/dbraw/zinc/64/13/92/590641392.db2.gz SDBGQQBPDOVAFF-UHFFFAOYSA-N 2 2 240.416 1.769 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000883390268 591641785 /nfs/dbraw/zinc/64/17/85/591641785.db2.gz IRKPUBUKIIWYAA-BZPMIXESSA-N 2 2 238.375 1.386 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000883390268 591641786 /nfs/dbraw/zinc/64/17/86/591641786.db2.gz IRKPUBUKIIWYAA-BZPMIXESSA-N 2 2 238.375 1.386 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000883441298 591668302 /nfs/dbraw/zinc/66/83/02/591668302.db2.gz LKFZSSKPNKPMCF-MNOVXSKESA-N 2 2 219.288 1.367 20 30 BDEDLP C#C[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000934515095 631896276 /nfs/dbraw/zinc/89/62/76/631896276.db2.gz PJKARDSRCQNVKM-CYBMUJFWSA-N 2 2 217.316 1.761 20 30 BDEDLP C#C[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000934515095 631896278 /nfs/dbraw/zinc/89/62/78/631896278.db2.gz PJKARDSRCQNVKM-CYBMUJFWSA-N 2 2 217.316 1.761 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccco1 ZINC000328117243 633732123 /nfs/dbraw/zinc/73/21/23/633732123.db2.gz PNPWYVBQTFGGRM-UHFFFAOYSA-N 2 2 206.289 1.324 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccco1 ZINC000328117243 633732128 /nfs/dbraw/zinc/73/21/28/633732128.db2.gz PNPWYVBQTFGGRM-UHFFFAOYSA-N 2 2 206.289 1.324 20 30 BDEDLP CCC#C[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278703 640129145 /nfs/dbraw/zinc/12/91/45/640129145.db2.gz LPYSIEGPAMRMLP-WUHRBBMRSA-N 2 2 206.333 1.280 20 30 BDEDLP CCC#C[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278703 640129147 /nfs/dbraw/zinc/12/91/47/640129147.db2.gz LPYSIEGPAMRMLP-WUHRBBMRSA-N 2 2 206.333 1.280 20 30 BDEDLP CCC#C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721246 640340547 /nfs/dbraw/zinc/34/05/47/640340547.db2.gz LQKHDLSEKYEWQN-MCIONIFRSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721246 640340552 /nfs/dbraw/zinc/34/05/52/640340552.db2.gz LQKHDLSEKYEWQN-MCIONIFRSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721246 640340554 /nfs/dbraw/zinc/34/05/54/640340554.db2.gz LQKHDLSEKYEWQN-MCIONIFRSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721246 640340558 /nfs/dbraw/zinc/34/05/58/640340558.db2.gz LQKHDLSEKYEWQN-MCIONIFRSA-N 2 2 220.360 1.957 20 30 BDEDLP N#Cc1cc(C[NH2+]CCn2cc[nH+]c2)cs1 ZINC000921484171 642636155 /nfs/dbraw/zinc/63/61/55/642636155.db2.gz GDLSXESARMIJDC-UHFFFAOYSA-N 2 2 232.312 1.606 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923414907 644415977 /nfs/dbraw/zinc/41/59/77/644415977.db2.gz DQHBMSFEIVWGSZ-YNEHKIRRSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923414907 644415982 /nfs/dbraw/zinc/41/59/82/644415982.db2.gz DQHBMSFEIVWGSZ-YNEHKIRRSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925629338 646374346 /nfs/dbraw/zinc/37/43/46/646374346.db2.gz JOJPFSVBDRKYOI-YDHLFZDLSA-N 2 2 248.370 1.849 20 30 BDEDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000925655343 646393720 /nfs/dbraw/zinc/39/37/20/646393720.db2.gz JWQRQQJNGAAEFS-GHMZBOCLSA-N 2 2 207.321 1.410 20 30 BDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925714932 646438490 /nfs/dbraw/zinc/43/84/90/646438490.db2.gz ZNALZHMEHYXJCS-MGPQQGTHSA-N 2 2 238.375 1.699 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715008612 712503934 /nfs/dbraw/zinc/50/39/34/712503934.db2.gz PBQNFUMYIUDRFE-QWRGUYRKSA-N 2 2 214.740 1.813 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715008612 712503936 /nfs/dbraw/zinc/50/39/36/712503936.db2.gz PBQNFUMYIUDRFE-QWRGUYRKSA-N 2 2 214.740 1.813 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCC#N ZINC000720354106 712832824 /nfs/dbraw/zinc/83/28/24/712832824.db2.gz XBHNKBSSEVVBGV-CHWSQXEVSA-N 2 2 221.348 1.849 20 30 BDEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCC#N ZINC000720354106 712832825 /nfs/dbraw/zinc/83/28/25/712832825.db2.gz XBHNKBSSEVVBGV-CHWSQXEVSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCC#N ZINC000720354106 712832827 /nfs/dbraw/zinc/83/28/27/712832827.db2.gz XBHNKBSSEVVBGV-CHWSQXEVSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCC#N ZINC000720354106 712832829 /nfs/dbraw/zinc/83/28/29/712832829.db2.gz XBHNKBSSEVVBGV-CHWSQXEVSA-N 2 2 221.348 1.849 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1C ZINC000385622091 711016104 /nfs/dbraw/zinc/01/61/04/711016104.db2.gz QMESSRSIUUNOMR-UHFFFAOYSA-N 2 2 248.374 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1C ZINC000385622091 711016106 /nfs/dbraw/zinc/01/61/06/711016106.db2.gz QMESSRSIUUNOMR-UHFFFAOYSA-N 2 2 248.374 1.082 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000390444419 711118104 /nfs/dbraw/zinc/11/81/04/711118104.db2.gz WVQPHVWSNVRRNQ-NEPJUHHUSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000390444419 711118105 /nfs/dbraw/zinc/11/81/05/711118105.db2.gz WVQPHVWSNVRRNQ-NEPJUHHUSA-N 2 2 223.364 1.856 20 30 BDEDLP C#C[C@@H](CC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000390785290 711134432 /nfs/dbraw/zinc/13/44/32/711134432.db2.gz OHQZKMCZNVOPMO-JTQLQIEISA-N 2 2 237.372 1.706 20 30 BDEDLP C#CCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000380153188 712700665 /nfs/dbraw/zinc/70/06/65/712700665.db2.gz YFNMKXCSPBLTIX-ZDUSSCGKSA-N 2 2 208.349 1.862 20 30 BDEDLP C#CCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000380153188 712700668 /nfs/dbraw/zinc/70/06/68/712700668.db2.gz YFNMKXCSPBLTIX-ZDUSSCGKSA-N 2 2 208.349 1.862 20 30 BDEDLP CCCCCCC[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173824 979827715 /nfs/dbraw/zinc/82/77/15/979827715.db2.gz UZMVCFMSBFIFPO-LBPRGKRZSA-N 2 2 226.364 1.616 20 30 BDEDLP CCCCCCC[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173824 979827717 /nfs/dbraw/zinc/82/77/17/979827717.db2.gz UZMVCFMSBFIFPO-LBPRGKRZSA-N 2 2 226.364 1.616 20 30 BDEDLP Cc1[nH+]cn(C2CCC(C#N)CC2)c1CC[NH3+] ZINC001256954165 971029874 /nfs/dbraw/zinc/02/98/74/971029874.db2.gz ZACDLWLKMYFTFT-UHFFFAOYSA-N 2 2 232.331 1.948 20 30 BDEDLP C=C(C)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001155661089 963145076 /nfs/dbraw/zinc/14/50/76/963145076.db2.gz STOKBUPRTHPHBV-UHFFFAOYSA-N 2 2 232.331 1.479 20 30 BDEDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001204801995 963701281 /nfs/dbraw/zinc/70/12/81/963701281.db2.gz ZAJNOWGCPKFVGN-CQSZACIVSA-N 2 2 229.327 1.676 20 30 BDEDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2CC#N)C1 ZINC001204801995 963701286 /nfs/dbraw/zinc/70/12/86/963701286.db2.gz ZAJNOWGCPKFVGN-CQSZACIVSA-N 2 2 229.327 1.676 20 30 BDEDLP N#CCc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001158626934 963896759 /nfs/dbraw/zinc/89/67/59/963896759.db2.gz KUFHCFMQAPOMME-GFCCVEGCSA-N 2 2 230.315 1.702 20 30 BDEDLP C=CC[N@H+]1CCC[C@H]1CNc1cc(N)[nH+]cn1 ZINC001160953689 964453347 /nfs/dbraw/zinc/45/33/47/964453347.db2.gz GTWNGPLYJMENOB-JTQLQIEISA-N 2 2 233.319 1.121 20 30 BDEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cc(N)[nH+]cn1 ZINC001160953689 964453353 /nfs/dbraw/zinc/45/33/53/964453353.db2.gz GTWNGPLYJMENOB-JTQLQIEISA-N 2 2 233.319 1.121 20 30 BDEDLP N#CCc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162391929 964952353 /nfs/dbraw/zinc/95/23/53/964952353.db2.gz OPORWEXJFHTNAV-NEPJUHHUSA-N 2 2 230.315 1.829 20 30 BDEDLP C#Cc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236247784 966320049 /nfs/dbraw/zinc/32/00/49/966320049.db2.gz ZMAWQVZNNUBHOT-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236247784 966320069 /nfs/dbraw/zinc/32/00/69/966320069.db2.gz ZMAWQVZNNUBHOT-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP N#Cc1cncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109531 967352357 /nfs/dbraw/zinc/35/23/57/967352357.db2.gz HTPHFTMZDKRUSN-CYBMUJFWSA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1cncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109531 967352365 /nfs/dbraw/zinc/35/23/65/967352365.db2.gz HTPHFTMZDKRUSN-CYBMUJFWSA-N 2 2 230.315 1.266 20 30 BDEDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001206565939 968387259 /nfs/dbraw/zinc/38/72/59/968387259.db2.gz WCNGNWIDFHMYBP-CQSZACIVSA-N 2 2 246.358 1.837 20 30 BDEDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001206565939 968387267 /nfs/dbraw/zinc/38/72/67/968387267.db2.gz WCNGNWIDFHMYBP-CQSZACIVSA-N 2 2 246.358 1.837 20 30 BDEDLP C=C[C@@](C)(O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001252554728 968797974 /nfs/dbraw/zinc/79/79/74/968797974.db2.gz KQGHDEIMHNQTBS-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@](C)(O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001252554728 968797982 /nfs/dbraw/zinc/79/79/82/968797982.db2.gz KQGHDEIMHNQTBS-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001252580812 968833765 /nfs/dbraw/zinc/83/37/65/968833765.db2.gz ULDZKIIRVMVASP-UONOGXRCSA-N 2 2 238.375 1.387 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001252580812 968833768 /nfs/dbraw/zinc/83/37/68/968833768.db2.gz ULDZKIIRVMVASP-UONOGXRCSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CCN1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC001256198195 970690535 /nfs/dbraw/zinc/69/05/35/970690535.db2.gz CVYNWHULUDGWHE-AWEZNQCLSA-N 2 2 237.391 1.321 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001171180632 972819050 /nfs/dbraw/zinc/81/90/50/972819050.db2.gz BPKHQDGBHPFPSZ-SMDDNHRTSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001171180632 972819057 /nfs/dbraw/zinc/81/90/57/972819057.db2.gz BPKHQDGBHPFPSZ-SMDDNHRTSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001171180548 972819243 /nfs/dbraw/zinc/81/92/43/972819243.db2.gz BBHFOKITFNSKPH-WFASDCNBSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001171180548 972819245 /nfs/dbraw/zinc/81/92/45/972819245.db2.gz BBHFOKITFNSKPH-WFASDCNBSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001171180545 972819654 /nfs/dbraw/zinc/81/96/54/972819654.db2.gz BBHFOKITFNSKPH-DOMZBBRYSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001171180545 972819665 /nfs/dbraw/zinc/81/96/65/972819665.db2.gz BBHFOKITFNSKPH-DOMZBBRYSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172294690 974565571 /nfs/dbraw/zinc/56/55/71/974565571.db2.gz KFAOYZPREDRXPQ-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172294690 974565579 /nfs/dbraw/zinc/56/55/79/974565579.db2.gz KFAOYZPREDRXPQ-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP N#CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236242946 979464315 /nfs/dbraw/zinc/46/43/15/979464315.db2.gz OTKMRSQOORBGPK-CYBMUJFWSA-N 2 2 245.326 1.512 20 30 BDEDLP N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236242946 979464322 /nfs/dbraw/zinc/46/43/22/979464322.db2.gz OTKMRSQOORBGPK-CYBMUJFWSA-N 2 2 245.326 1.512 20 30 BDEDLP C#C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001353297161 982824983 /nfs/dbraw/zinc/82/49/83/982824983.db2.gz DCCJFMXBBQFYHU-HIFRSBDPSA-N 2 2 246.354 1.091 20 30 BDEDLP C#C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001353297161 982824984 /nfs/dbraw/zinc/82/49/84/982824984.db2.gz DCCJFMXBBQFYHU-HIFRSBDPSA-N 2 2 246.354 1.091 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C#N)C1 ZINC001254675511 986725267 /nfs/dbraw/zinc/72/52/67/986725267.db2.gz FWDAIOAGHPJMFA-OLZOCXBDSA-N 2 2 232.331 1.897 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C#N)C1 ZINC001254675511 986725272 /nfs/dbraw/zinc/72/52/72/986725272.db2.gz FWDAIOAGHPJMFA-OLZOCXBDSA-N 2 2 232.331 1.897 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000689762633 987196272 /nfs/dbraw/zinc/19/62/72/987196272.db2.gz PXYJKLKFUFKHGW-LBPRGKRZSA-N 2 2 205.305 1.476 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246089155 987394300 /nfs/dbraw/zinc/39/43/00/987394300.db2.gz ZJIYTFCHDBBSSX-DCAQKATOSA-N 2 2 200.301 1.631 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246109733 987440447 /nfs/dbraw/zinc/44/04/47/987440447.db2.gz GSXLRODKWZOXKV-IJLUTSLNSA-N 2 2 209.337 1.514 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130841 987485231 /nfs/dbraw/zinc/48/52/31/987485231.db2.gz WLJXEBXTNWYBFX-WFASDCNBSA-N 2 2 243.354 1.831 20 30 BDEDLP CCCCCCC[C@@H](C)[NH2+]CC[NH2+]CCO ZINC001246380251 987774369 /nfs/dbraw/zinc/77/43/69/987774369.db2.gz VGEXXMQQQIGXPM-CYBMUJFWSA-N 2 2 230.396 1.907 20 30 BDEDLP C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639092 988335040 /nfs/dbraw/zinc/33/50/40/988335040.db2.gz NZGXBCZXSYSLNP-QJPTWQEYSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@@H](CCCC#N)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639092 988335054 /nfs/dbraw/zinc/33/50/54/988335054.db2.gz NZGXBCZXSYSLNP-QJPTWQEYSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@@H]1CC[C@H]([NH+]2CCC(CC#N)CC2)C[NH2+]1 ZINC001246800617 988479936 /nfs/dbraw/zinc/47/99/36/988479936.db2.gz FYIBGLDSTCRPIC-YPMHNXCESA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H]1CC[C@H]([NH+]2CCC(S)CC2)C[NH2+]1 ZINC001246823909 988511995 /nfs/dbraw/zinc/51/19/95/988511995.db2.gz HLYMGZXLJLZOCG-UWVGGRQHSA-N 2 2 214.378 1.521 20 30 BDEDLP C[C@@H]1CC[C@@H]([NH+]2CCC(S)CC2)C[NH2+]1 ZINC001246823904 988512804 /nfs/dbraw/zinc/51/28/04/988512804.db2.gz HLYMGZXLJLZOCG-NXEZZACHSA-N 2 2 214.378 1.521 20 30 BDEDLP C=CCC[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258719883 991648801 /nfs/dbraw/zinc/64/88/01/991648801.db2.gz LTYWHSDKTOQYFH-LLVKDONJSA-N 2 2 224.352 1.113 20 30 BDEDLP C=CCC[C@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258722940 991655080 /nfs/dbraw/zinc/65/50/80/991655080.db2.gz WPSAIXMUEVCYNC-AWEZNQCLSA-N 3 2 241.423 1.944 20 30 BDEDLP C=CCC[C@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258722940 991655088 /nfs/dbraw/zinc/65/50/88/991655088.db2.gz WPSAIXMUEVCYNC-AWEZNQCLSA-N 3 2 241.423 1.944 20 30 BDEDLP C#CC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CSC1 ZINC001574666834 992888141 /nfs/dbraw/zinc/88/81/41/992888141.db2.gz IBXBWHMHFMPXQI-LLVKDONJSA-N 2 2 224.373 1.037 20 30 BDEDLP C#CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CSC1 ZINC001574666834 992888143 /nfs/dbraw/zinc/88/81/43/992888143.db2.gz IBXBWHMHFMPXQI-LLVKDONJSA-N 2 2 224.373 1.037 20 30 BDEDLP C=CC[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2OC)C1 ZINC001574900252 992939998 /nfs/dbraw/zinc/93/99/98/992939998.db2.gz UDOQULJYPSUGPA-WUHRBBMRSA-N 2 2 224.348 1.308 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001576608024 993367226 /nfs/dbraw/zinc/36/72/26/993367226.db2.gz MLLPMIZNPPSGAH-CMPLNLGQSA-N 2 2 230.315 1.265 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001576608024 993367229 /nfs/dbraw/zinc/36/72/29/993367229.db2.gz MLLPMIZNPPSGAH-CMPLNLGQSA-N 2 2 230.315 1.265 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335181337 343980506 /nfs/dbraw/zinc/98/05/06/343980506.db2.gz OSADGZSUITZJEH-BXUZGUMPSA-N 2 2 229.327 1.961 20 30 BDEDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335538317 398205718 /nfs/dbraw/zinc/20/57/18/398205718.db2.gz IILXJTDOYYYLAM-ZDUSSCGKSA-N 2 2 229.327 1.788 20 30 BDEDLP Cn1c[nH+]c(CC[NH2+]C2CCC(C#N)CC2)c1 ZINC000602688026 349678118 /nfs/dbraw/zinc/67/81/18/349678118.db2.gz HFVOHNHPCGQNOR-UHFFFAOYSA-N 2 2 232.331 1.635 20 30 BDEDLP N#CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034992748 358452265 /nfs/dbraw/zinc/45/22/65/358452265.db2.gz BFWTVBBLRKAOBV-UHFFFAOYSA-N 2 2 226.283 1.876 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449523336 259351296 /nfs/dbraw/zinc/35/12/96/259351296.db2.gz XNWQYYJYVYUBSV-VTPLQMEGSA-N 2 2 236.359 1.545 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449523336 259351295 /nfs/dbraw/zinc/35/12/95/259351295.db2.gz XNWQYYJYVYUBSV-VTPLQMEGSA-N 2 2 236.359 1.545 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000335128282 343928919 /nfs/dbraw/zinc/92/89/19/343928919.db2.gz GUGSNZLZLREMNT-UKRRQHHQSA-N 2 2 241.338 1.887 20 30 BDEDLP C=C(C)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544988 343931461 /nfs/dbraw/zinc/93/14/61/343931461.db2.gz JOAAADXCZBAPMN-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166091123 344489189 /nfs/dbraw/zinc/48/91/89/344489189.db2.gz NWLKPNKICJGCRN-IJLUTSLNSA-N 2 2 209.337 1.751 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166091123 344489191 /nfs/dbraw/zinc/48/91/91/344489191.db2.gz NWLKPNKICJGCRN-IJLUTSLNSA-N 2 2 209.337 1.751 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000309568909 347106379 /nfs/dbraw/zinc/10/63/79/347106379.db2.gz MBIRVKQEDWDIIN-WOPDTQHZSA-N 2 2 219.332 1.505 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000309568909 347106381 /nfs/dbraw/zinc/10/63/81/347106381.db2.gz MBIRVKQEDWDIIN-WOPDTQHZSA-N 2 2 219.332 1.505 20 30 BDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH3+] ZINC000591575904 347676623 /nfs/dbraw/zinc/67/66/23/347676623.db2.gz PYZOYHXUNNLQBO-ZDUSSCGKSA-N 2 2 215.300 1.484 20 30 BDEDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592489601 347786989 /nfs/dbraw/zinc/78/69/89/347786989.db2.gz SWCBMEHAEDFSHI-ZDUSSCGKSA-N 2 2 230.315 1.124 20 30 BDEDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592489601 347786992 /nfs/dbraw/zinc/78/69/92/347786992.db2.gz SWCBMEHAEDFSHI-ZDUSSCGKSA-N 2 2 230.315 1.124 20 30 BDEDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccncc1C#N ZINC000592475915 347791617 /nfs/dbraw/zinc/79/16/17/347791617.db2.gz VJLVUEGPMSJJIC-ZDUSSCGKSA-N 2 2 232.331 1.416 20 30 BDEDLP N#Cc1ccc2c(c1)C[N@H+](CCC[NH3+])C2 ZINC000594530114 348070391 /nfs/dbraw/zinc/07/03/91/348070391.db2.gz HOUUJXCZQNPBDC-UHFFFAOYSA-N 2 2 201.273 1.223 20 30 BDEDLP N#Cc1ccc2c(c1)C[N@@H+](CCC[NH3+])C2 ZINC000594530114 348070396 /nfs/dbraw/zinc/07/03/96/348070396.db2.gz HOUUJXCZQNPBDC-UHFFFAOYSA-N 2 2 201.273 1.223 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000303549846 490165690 /nfs/dbraw/zinc/16/56/90/490165690.db2.gz JDUKDWWGPMDOLB-RYUDHWBXSA-N 2 2 224.348 1.404 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000303549846 490165698 /nfs/dbraw/zinc/16/56/98/490165698.db2.gz JDUKDWWGPMDOLB-RYUDHWBXSA-N 2 2 224.348 1.404 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000596655897 348600227 /nfs/dbraw/zinc/60/02/27/348600227.db2.gz ZHWIQVGDBOFDJE-VHSXEESVSA-N 2 2 235.306 1.956 20 30 BDEDLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](CC#N)C2)n1C ZINC000597175616 348669609 /nfs/dbraw/zinc/66/96/09/348669609.db2.gz BUAXGQFBIRPLJL-GFCCVEGCSA-N 2 2 232.331 1.854 20 30 BDEDLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](CC#N)C2)n1C ZINC000597175616 348669610 /nfs/dbraw/zinc/66/96/10/348669610.db2.gz BUAXGQFBIRPLJL-GFCCVEGCSA-N 2 2 232.331 1.854 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000336716599 350472079 /nfs/dbraw/zinc/47/20/79/350472079.db2.gz VVXQQXRYJMAYFW-NSHDSACASA-N 2 2 232.331 1.816 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336716599 350472080 /nfs/dbraw/zinc/47/20/80/350472080.db2.gz VVXQQXRYJMAYFW-NSHDSACASA-N 2 2 232.331 1.816 20 30 BDEDLP C=CCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000336684271 350920175 /nfs/dbraw/zinc/92/01/75/350920175.db2.gz KHYPNGQMBJGPKR-NEPJUHHUSA-N 2 2 212.337 1.309 20 30 BDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000119993105 358465800 /nfs/dbraw/zinc/46/58/00/358465800.db2.gz HGXBJRINMHEQSV-CYBMUJFWSA-N 2 2 246.358 1.978 20 30 BDEDLP C=CCCC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000336749463 352999392 /nfs/dbraw/zinc/99/93/92/352999392.db2.gz DJECNMFEUODOEO-GFCCVEGCSA-N 2 2 212.337 1.263 20 30 BDEDLP C=CCCC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000336749463 352999394 /nfs/dbraw/zinc/99/93/94/352999394.db2.gz DJECNMFEUODOEO-GFCCVEGCSA-N 2 2 212.337 1.263 20 30 BDEDLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336774357 353422003 /nfs/dbraw/zinc/42/20/03/353422003.db2.gz ZRUSZXIRGDHWCF-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000399005441 353551600 /nfs/dbraw/zinc/55/16/00/353551600.db2.gz XLWNVVDTXJYOIV-GZMMTYOYSA-N 2 2 216.288 1.045 20 30 BDEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136082133 353610689 /nfs/dbraw/zinc/61/06/89/353610689.db2.gz HWUNJULYIRIXBL-NEPJUHHUSA-N 2 2 205.305 1.952 20 30 BDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136082133 353610691 /nfs/dbraw/zinc/61/06/91/353610691.db2.gz HWUNJULYIRIXBL-NEPJUHHUSA-N 2 2 205.305 1.952 20 30 BDEDLP C=C[C@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000352454440 134145766 /nfs/dbraw/zinc/14/57/66/134145766.db2.gz UABQWKSEDUHIEO-LLVKDONJSA-N 2 2 231.299 1.279 20 30 BDEDLP C[NH2+]CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423236059 192644299 /nfs/dbraw/zinc/64/42/99/192644299.db2.gz BMFRWADAMPQPIV-ZDUSSCGKSA-N 2 2 215.300 1.355 20 30 BDEDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N ZINC000191356987 357766082 /nfs/dbraw/zinc/76/60/82/357766082.db2.gz ZXEYSOBLWXVASE-LBPRGKRZSA-N 2 2 246.358 1.280 20 30 BDEDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N ZINC000191356987 357766088 /nfs/dbraw/zinc/76/60/88/357766088.db2.gz ZXEYSOBLWXVASE-LBPRGKRZSA-N 2 2 246.358 1.280 20 30 BDEDLP C[N@H+](CC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374845325 134238234 /nfs/dbraw/zinc/23/82/34/134238234.db2.gz ZIRMPKBDPAMQQT-UHFFFAOYSA-N 2 2 244.342 1.753 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CCC[NH2+][C@@H](CC)CC#N ZINC000222315045 358158939 /nfs/dbraw/zinc/15/89/39/358158939.db2.gz XGFXUVIOYKROBP-BETUJISGSA-N 2 2 236.363 1.940 20 30 BDEDLP CCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000264098490 535422879 /nfs/dbraw/zinc/42/28/79/535422879.db2.gz NDBHGRPCQNQAJW-ZDUSSCGKSA-N 2 2 248.374 1.522 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684411 358552120 /nfs/dbraw/zinc/55/21/20/358552120.db2.gz DTVZNFBHBIEAGL-CQSZACIVSA-N 2 2 241.338 1.885 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684411 358552121 /nfs/dbraw/zinc/55/21/21/358552121.db2.gz DTVZNFBHBIEAGL-CQSZACIVSA-N 2 2 241.338 1.885 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578284864 366474646 /nfs/dbraw/zinc/47/46/46/366474646.db2.gz IHBMHZHCVDIIKF-ZDUSSCGKSA-N 2 2 238.375 1.748 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000578284864 366474649 /nfs/dbraw/zinc/47/46/49/366474649.db2.gz IHBMHZHCVDIIKF-ZDUSSCGKSA-N 2 2 238.375 1.748 20 30 BDEDLP N#CC1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000611429552 359367355 /nfs/dbraw/zinc/36/73/55/359367355.db2.gz OJHCVJWOSGSHNQ-LBPRGKRZSA-N 2 2 230.315 1.824 20 30 BDEDLP N#CC1(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000611429552 359367360 /nfs/dbraw/zinc/36/73/60/359367360.db2.gz OJHCVJWOSGSHNQ-LBPRGKRZSA-N 2 2 230.315 1.824 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000435739785 201286067 /nfs/dbraw/zinc/28/60/67/201286067.db2.gz HRGWEVWTONIMOE-SYQHCUMBSA-N 2 2 238.375 1.507 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000435739785 201286069 /nfs/dbraw/zinc/28/60/69/201286069.db2.gz HRGWEVWTONIMOE-SYQHCUMBSA-N 2 2 238.375 1.507 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000336686806 365355337 /nfs/dbraw/zinc/35/53/37/365355337.db2.gz TZECWDQTUVBYMR-NWDGAFQWSA-N 2 2 218.304 1.555 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000258833596 370854734 /nfs/dbraw/zinc/85/47/34/370854734.db2.gz PSSSARQFFKKLSU-BPCQOVAHSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000258833596 370854738 /nfs/dbraw/zinc/85/47/38/370854738.db2.gz PSSSARQFFKKLSU-BPCQOVAHSA-N 2 2 221.348 1.753 20 30 BDEDLP C#C[C@@H](CC)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000381450027 367408087 /nfs/dbraw/zinc/40/80/87/367408087.db2.gz HBKKYPZWFWVGGC-NSHDSACASA-N 2 2 213.284 1.836 20 30 BDEDLP C[C@H](CCC#N)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000581436831 367471402 /nfs/dbraw/zinc/47/14/02/367471402.db2.gz CAFJWOIYWUHZEE-NEPJUHHUSA-N 2 2 232.331 1.902 20 30 BDEDLP C[C@H](CCC#N)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000581436831 367471408 /nfs/dbraw/zinc/47/14/08/367471408.db2.gz CAFJWOIYWUHZEE-NEPJUHHUSA-N 2 2 232.331 1.902 20 30 BDEDLP C=CC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459350852 203266135 /nfs/dbraw/zinc/26/61/35/203266135.db2.gz SXAYMOWPUXFBNJ-UHFFFAOYSA-N 2 2 219.332 1.861 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000600769559 369560667 /nfs/dbraw/zinc/56/06/67/369560667.db2.gz OSTMEWJXODNGEK-CYBMUJFWSA-N 2 2 231.299 1.337 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000600769559 369560670 /nfs/dbraw/zinc/56/06/70/369560670.db2.gz OSTMEWJXODNGEK-CYBMUJFWSA-N 2 2 231.299 1.337 20 30 BDEDLP CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769803 369562772 /nfs/dbraw/zinc/56/27/72/369562772.db2.gz ZWLXJNMSXMRHHN-MFKMUULPSA-N 2 2 233.315 1.710 20 30 BDEDLP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769803 369562777 /nfs/dbraw/zinc/56/27/77/369562777.db2.gz ZWLXJNMSXMRHHN-MFKMUULPSA-N 2 2 233.315 1.710 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000600769636 369563916 /nfs/dbraw/zinc/56/39/16/369563916.db2.gz QEVQPMPUMWVAOV-AWEZNQCLSA-N 2 2 245.326 1.727 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000600769636 369563918 /nfs/dbraw/zinc/56/39/18/369563918.db2.gz QEVQPMPUMWVAOV-AWEZNQCLSA-N 2 2 245.326 1.727 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000567911636 326281945 /nfs/dbraw/zinc/28/19/45/326281945.db2.gz WKOYABFORMBGMJ-GFCCVEGCSA-N 2 2 214.353 1.197 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000567911636 326281946 /nfs/dbraw/zinc/28/19/46/326281946.db2.gz WKOYABFORMBGMJ-GFCCVEGCSA-N 2 2 214.353 1.197 20 30 BDEDLP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000567911636 326281948 /nfs/dbraw/zinc/28/19/48/326281948.db2.gz WKOYABFORMBGMJ-GFCCVEGCSA-N 2 2 214.353 1.197 20 30 BDEDLP C=C(C)C[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000567911636 326281949 /nfs/dbraw/zinc/28/19/49/326281949.db2.gz WKOYABFORMBGMJ-GFCCVEGCSA-N 2 2 214.353 1.197 20 30 BDEDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000603434875 369966348 /nfs/dbraw/zinc/96/63/48/369966348.db2.gz TYSGRNGTVDDNPM-RYUDHWBXSA-N 2 2 230.315 1.169 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000631063531 371237631 /nfs/dbraw/zinc/23/76/31/371237631.db2.gz BAPMPFSONFISAY-UHFFFAOYSA-N 2 2 235.331 1.723 20 30 BDEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000229748947 372189910 /nfs/dbraw/zinc/18/99/10/372189910.db2.gz AXOMTSNEXOTWDD-STQMWFEESA-N 2 2 245.301 1.349 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000335024786 384011857 /nfs/dbraw/zinc/01/18/57/384011857.db2.gz FETPDNVALSRHTG-CHWSQXEVSA-N 2 2 233.290 1.667 20 30 BDEDLP C#CCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000270595510 533055155 /nfs/dbraw/zinc/05/51/55/533055155.db2.gz KVYWMHPDJBJDEB-UHFFFAOYSA-N 2 2 245.326 1.236 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](CC#N)C1CCCC1 ZINC000080215223 384536779 /nfs/dbraw/zinc/53/67/79/384536779.db2.gz OYZZEOGFVKKUIG-UHFFFAOYSA-N 2 2 232.331 1.960 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](CC#N)C1CCCC1 ZINC000080215223 384536786 /nfs/dbraw/zinc/53/67/86/384536786.db2.gz OYZZEOGFVKKUIG-UHFFFAOYSA-N 2 2 232.331 1.960 20 30 BDEDLP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1C#N ZINC000414814799 384856970 /nfs/dbraw/zinc/85/69/70/384856970.db2.gz SEKKCHPPEKNVPA-ZDUSSCGKSA-N 2 2 245.326 1.394 20 30 BDEDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000135483743 384901300 /nfs/dbraw/zinc/90/13/00/384901300.db2.gz NMXGSJLRWVHYDP-JTQLQIEISA-N 2 2 221.304 1.581 20 30 BDEDLP C#CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372520327 533108771 /nfs/dbraw/zinc/10/87/71/533108771.db2.gz FSHAUKOOPLMLDO-GJZGRUSLSA-N 2 2 243.354 1.639 20 30 BDEDLP C#CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372520327 533108776 /nfs/dbraw/zinc/10/87/76/533108776.db2.gz FSHAUKOOPLMLDO-GJZGRUSLSA-N 2 2 243.354 1.639 20 30 BDEDLP C#CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372520327 533108782 /nfs/dbraw/zinc/10/87/82/533108782.db2.gz FSHAUKOOPLMLDO-GJZGRUSLSA-N 2 2 243.354 1.639 20 30 BDEDLP C#CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372520327 533108785 /nfs/dbraw/zinc/10/87/85/533108785.db2.gz FSHAUKOOPLMLDO-GJZGRUSLSA-N 2 2 243.354 1.639 20 30 BDEDLP C=CCCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000336653224 385665835 /nfs/dbraw/zinc/66/58/35/385665835.db2.gz JBBQTZSXBIHQIO-QWHCGFSZSA-N 2 2 226.364 1.699 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000414339886 386130737 /nfs/dbraw/zinc/13/07/37/386130737.db2.gz SZFQYLVDUACMNC-UHFFFAOYSA-N 2 2 248.374 1.469 20 30 BDEDLP C#CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280323642 386345564 /nfs/dbraw/zinc/34/55/64/386345564.db2.gz GVWBHZKZFSZHAV-IYBDPMFKSA-N 2 2 240.350 1.683 20 30 BDEDLP C#CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280323642 386345570 /nfs/dbraw/zinc/34/55/70/386345570.db2.gz GVWBHZKZFSZHAV-IYBDPMFKSA-N 2 2 240.350 1.683 20 30 BDEDLP C#CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280323642 386345578 /nfs/dbraw/zinc/34/55/78/386345578.db2.gz GVWBHZKZFSZHAV-IYBDPMFKSA-N 2 2 240.350 1.683 20 30 BDEDLP C#CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280323642 386345584 /nfs/dbraw/zinc/34/55/84/386345584.db2.gz GVWBHZKZFSZHAV-IYBDPMFKSA-N 2 2 240.350 1.683 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@H]1CCC[N@H+]1C ZINC000124810378 386690258 /nfs/dbraw/zinc/69/02/58/386690258.db2.gz QSOLVXWTANSRNC-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@H]1CCC[N@@H+]1C ZINC000124810378 386690265 /nfs/dbraw/zinc/69/02/65/386690265.db2.gz QSOLVXWTANSRNC-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP CC[N@H+]1CCC[C@@H]1CNc1cc(C)[nH+]cc1C#N ZINC000399386088 386783433 /nfs/dbraw/zinc/78/34/33/386783433.db2.gz QKMCXMAPGMPJDA-CYBMUJFWSA-N 2 2 244.342 1.580 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000320953304 387028431 /nfs/dbraw/zinc/02/84/31/387028431.db2.gz GZPMNQIAAFVDFU-YNEHKIRRSA-N 2 2 238.375 1.528 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000320953304 387028434 /nfs/dbraw/zinc/02/84/34/387028434.db2.gz GZPMNQIAAFVDFU-YNEHKIRRSA-N 2 2 238.375 1.528 20 30 BDEDLP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCC[NH2+]1 ZINC000423106529 387891740 /nfs/dbraw/zinc/89/17/40/387891740.db2.gz ZYEICJNMVNZUKZ-GHMZBOCLSA-N 2 2 207.321 1.410 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423125456 387906007 /nfs/dbraw/zinc/90/60/07/387906007.db2.gz QLTUKCCKXHRQDN-WQAKAFBOSA-N 2 2 218.300 1.268 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423151599 387930415 /nfs/dbraw/zinc/93/04/15/387930415.db2.gz KDHJDWLMMGZTEF-QWHCGFSZSA-N 2 2 238.375 1.555 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453350241 388055227 /nfs/dbraw/zinc/05/52/27/388055227.db2.gz JWULFHTWZHYUIO-SCRDCRAPSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000453350241 388055230 /nfs/dbraw/zinc/05/52/30/388055230.db2.gz JWULFHTWZHYUIO-SCRDCRAPSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000453352003 388055288 /nfs/dbraw/zinc/05/52/88/388055288.db2.gz KMQXXFMVLMJIRP-YNEHKIRRSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000453352003 388055292 /nfs/dbraw/zinc/05/52/92/388055292.db2.gz KMQXXFMVLMJIRP-YNEHKIRRSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000449120412 388145359 /nfs/dbraw/zinc/14/53/59/388145359.db2.gz CWIOYOHDXMZLMV-WCQYABFASA-N 2 2 240.416 1.978 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447187 388208680 /nfs/dbraw/zinc/20/86/80/388208680.db2.gz WOQGDMOLHFOKRN-ZDEQEGDKSA-N 2 2 221.348 1.608 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447187 388208683 /nfs/dbraw/zinc/20/86/83/388208683.db2.gz WOQGDMOLHFOKRN-ZDEQEGDKSA-N 2 2 221.348 1.608 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000451680510 388289511 /nfs/dbraw/zinc/28/95/11/388289511.db2.gz JRTMVBBWYBARDY-OLZOCXBDSA-N 2 2 235.331 1.596 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000451683299 388289850 /nfs/dbraw/zinc/28/98/50/388289850.db2.gz REWPIQCDASZBAH-NEPJUHHUSA-N 2 2 221.304 1.206 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000164697071 388397578 /nfs/dbraw/zinc/39/75/78/388397578.db2.gz VMFLAVTVVUIQNU-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164697071 388397581 /nfs/dbraw/zinc/39/75/81/388397581.db2.gz VMFLAVTVVUIQNU-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000573216737 388433045 /nfs/dbraw/zinc/43/30/45/388433045.db2.gz AWSPQRXJMQSYDJ-UPJWGTAASA-N 2 2 244.342 1.902 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000573216737 388433047 /nfs/dbraw/zinc/43/30/47/388433047.db2.gz AWSPQRXJMQSYDJ-UPJWGTAASA-N 2 2 244.342 1.902 20 30 BDEDLP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000564202429 388681169 /nfs/dbraw/zinc/68/11/69/388681169.db2.gz IZOPXHAOAFCDRM-UONOGXRCSA-N 2 2 248.374 1.751 20 30 BDEDLP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000564202429 388681172 /nfs/dbraw/zinc/68/11/72/388681172.db2.gz IZOPXHAOAFCDRM-UONOGXRCSA-N 2 2 248.374 1.751 20 30 BDEDLP C[C@H](C[NH2+]Cc1nc(C#N)cs1)C[NH+](C)C ZINC000309551286 388663695 /nfs/dbraw/zinc/66/36/95/388663695.db2.gz IHNUSPZFUQIXTB-SECBINFHSA-N 2 2 238.360 1.302 20 30 BDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093770223 388746801 /nfs/dbraw/zinc/74/68/01/388746801.db2.gz BTFJWODJDKUNFB-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093770223 388746804 /nfs/dbraw/zinc/74/68/04/388746804.db2.gz BTFJWODJDKUNFB-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093770223 388746807 /nfs/dbraw/zinc/74/68/07/388746807.db2.gz BTFJWODJDKUNFB-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093770223 388746808 /nfs/dbraw/zinc/74/68/08/388746808.db2.gz BTFJWODJDKUNFB-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423219073 388688722 /nfs/dbraw/zinc/68/87/22/388688722.db2.gz VUDRJFLJAOSXNL-ZIAGYGMSSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423241709 388689551 /nfs/dbraw/zinc/68/95/51/388689551.db2.gz VGVBKOGQISCDGM-BXUZGUMPSA-N 2 2 229.327 1.961 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530242942 388713069 /nfs/dbraw/zinc/71/30/69/388713069.db2.gz FFAGYLUGQMEDPX-CQSZACIVSA-N 2 2 241.338 1.932 20 30 BDEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368594145 533234561 /nfs/dbraw/zinc/23/45/61/533234561.db2.gz RGGVNNPEIHCGSQ-CYBMUJFWSA-N 2 2 243.354 1.657 20 30 BDEDLP C=C(C)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264224877 132304491 /nfs/dbraw/zinc/30/44/91/132304491.db2.gz WQMBOAUDOATZTI-UHFFFAOYSA-N 2 2 247.342 1.788 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333766723 134130023 /nfs/dbraw/zinc/13/00/23/134130023.db2.gz WXOPUOFVXRSGKF-UPJWGTAASA-N 2 2 244.342 1.870 20 30 BDEDLP C=CCNC(=O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354542975 134168861 /nfs/dbraw/zinc/16/88/61/134168861.db2.gz FMTZSJFPKWSFIX-UHFFFAOYSA-N 2 2 247.342 1.214 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000371209059 134227786 /nfs/dbraw/zinc/22/77/86/134227786.db2.gz RTVKNERVXPESBR-LLVKDONJSA-N 2 2 203.289 1.612 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000371209059 134227787 /nfs/dbraw/zinc/22/77/87/134227787.db2.gz RTVKNERVXPESBR-LLVKDONJSA-N 2 2 203.289 1.612 20 30 BDEDLP C[N@@H+](CC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374845325 134238235 /nfs/dbraw/zinc/23/82/35/134238235.db2.gz ZIRMPKBDPAMQQT-UHFFFAOYSA-N 2 2 244.342 1.753 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000086728410 135095079 /nfs/dbraw/zinc/09/50/79/135095079.db2.gz GXIVTYCWAMZFBF-LBPRGKRZSA-N 2 2 201.273 1.010 20 30 BDEDLP CCNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264160340 135135604 /nfs/dbraw/zinc/13/56/04/135135604.db2.gz BCELOGCCWBYMMY-UHFFFAOYSA-N 2 2 235.335 1.198 20 30 BDEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262039313 135275139 /nfs/dbraw/zinc/27/51/39/135275139.db2.gz TWMWLMGWDWZLCP-UONOGXRCSA-N 2 2 216.328 1.989 20 30 BDEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262039313 135275140 /nfs/dbraw/zinc/27/51/40/135275140.db2.gz TWMWLMGWDWZLCP-UONOGXRCSA-N 2 2 216.328 1.989 20 30 BDEDLP CN1CC[NH+]=C1NCC[N@H+](C)Cc1ccccc1 ZINC000262645442 135311506 /nfs/dbraw/zinc/31/15/06/135311506.db2.gz IZBKXHZPIXDOIC-UHFFFAOYSA-N 2 2 246.358 1.009 20 30 BDEDLP CN1CC[NH+]=C1NCC[N@@H+](C)Cc1ccccc1 ZINC000262645442 135311508 /nfs/dbraw/zinc/31/15/08/135311508.db2.gz IZBKXHZPIXDOIC-UHFFFAOYSA-N 2 2 246.358 1.009 20 30 BDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000335323183 136050351 /nfs/dbraw/zinc/05/03/51/136050351.db2.gz VUEFQQACGSWDHR-CYBMUJFWSA-N 2 2 219.332 1.318 20 30 BDEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000335323183 136050352 /nfs/dbraw/zinc/05/03/52/136050352.db2.gz VUEFQQACGSWDHR-CYBMUJFWSA-N 2 2 219.332 1.318 20 30 BDEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC3(C#N)CC3)C2)C1 ZINC000335323183 136050353 /nfs/dbraw/zinc/05/03/53/136050353.db2.gz VUEFQQACGSWDHR-CYBMUJFWSA-N 2 2 219.332 1.318 20 30 BDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(C#N)CC3)C2)C1 ZINC000335323183 136050354 /nfs/dbraw/zinc/05/03/54/136050354.db2.gz VUEFQQACGSWDHR-CYBMUJFWSA-N 2 2 219.332 1.318 20 30 BDEDLP C=C(CC)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625547217 398099735 /nfs/dbraw/zinc/09/97/35/398099735.db2.gz IPMBMMCCQLFICB-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP C=CCOc1ccccc1C[NH2+][C@H](C)C[NH2+]C ZINC000663506313 411686969 /nfs/dbraw/zinc/68/69/69/411686969.db2.gz BNQDKAGAVFBNIF-GFCCVEGCSA-N 2 2 234.343 1.949 20 30 BDEDLP C=CC[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCC[NH2+]1 ZINC000662413079 412157599 /nfs/dbraw/zinc/15/75/99/412157599.db2.gz WIRBHMXYAFCZJH-ZDUSSCGKSA-N 2 2 246.314 1.301 20 30 BDEDLP Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)c(C#N)c[nH+]1 ZINC000399410061 267299627 /nfs/dbraw/zinc/29/96/27/267299627.db2.gz YYPVANFJOMRSHC-LLVKDONJSA-N 2 2 244.342 1.578 20 30 BDEDLP Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)c(C#N)c[nH+]1 ZINC000399410061 267299629 /nfs/dbraw/zinc/29/96/29/267299629.db2.gz YYPVANFJOMRSHC-LLVKDONJSA-N 2 2 244.342 1.578 20 30 BDEDLP C=CCC[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000569710184 323038099 /nfs/dbraw/zinc/03/80/99/323038099.db2.gz PFKKSKZHOMHRSV-LLVKDONJSA-N 2 2 223.320 1.145 20 30 BDEDLP C=CC[NH+]1CCC(NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000563440768 323125988 /nfs/dbraw/zinc/12/59/88/323125988.db2.gz SCYPNNPJXYLRAS-UHFFFAOYSA-N 2 2 248.374 1.767 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+]CCCCn1cc[nH+]c1 ZINC000571277696 323139804 /nfs/dbraw/zinc/13/98/04/323139804.db2.gz QPGNSUIKEBVTJP-ZDUSSCGKSA-N 2 2 245.330 1.696 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000568648675 326370773 /nfs/dbraw/zinc/37/07/73/326370773.db2.gz JEDUANDJKOOGFK-AAEUAGOBSA-N 2 2 235.331 1.409 20 30 BDEDLP COCC#CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000677818971 487514025 /nfs/dbraw/zinc/51/40/25/487514025.db2.gz MNZFHFLJXCQONY-UHFFFAOYSA-N 2 2 224.348 1.099 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCOC)C[C@H]1C ZINC000677820496 487519877 /nfs/dbraw/zinc/51/98/77/487519877.db2.gz PITZXYVQKPGEFJ-KGLIPLIRSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#CCOC)C[C@H]1C ZINC000677820496 487519879 /nfs/dbraw/zinc/51/98/79/487519879.db2.gz PITZXYVQKPGEFJ-KGLIPLIRSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#CCOC)C[C@H]1C ZINC000677820496 487519882 /nfs/dbraw/zinc/51/98/82/487519882.db2.gz PITZXYVQKPGEFJ-KGLIPLIRSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCOC)C[C@H]1C ZINC000677820496 487519884 /nfs/dbraw/zinc/51/98/84/487519884.db2.gz PITZXYVQKPGEFJ-KGLIPLIRSA-N 2 2 238.375 1.441 20 30 BDEDLP C=CCOCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000679486385 488354673 /nfs/dbraw/zinc/35/46/73/488354673.db2.gz KALYIEVNJWSHPZ-UHFFFAOYSA-N 2 2 231.299 1.627 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nn1 ZINC000655938383 490264730 /nfs/dbraw/zinc/26/47/30/490264730.db2.gz UQDTZWXCJYJIGS-NEPJUHHUSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nn1 ZINC000655938383 490264726 /nfs/dbraw/zinc/26/47/26/490264726.db2.gz UQDTZWXCJYJIGS-NEPJUHHUSA-N 2 2 249.362 1.023 20 30 BDEDLP C=C(CC)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000358500897 534400638 /nfs/dbraw/zinc/40/06/38/534400638.db2.gz RJBOHUVNTTXZGI-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP C=C(CC)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000358500897 534400642 /nfs/dbraw/zinc/40/06/42/534400642.db2.gz RJBOHUVNTTXZGI-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](C#N)CCC#N ZINC000181066380 536363209 /nfs/dbraw/zinc/36/32/09/536363209.db2.gz YLMHDEOAGMSSOE-CYBMUJFWSA-N 2 2 245.330 1.649 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](C#N)CCC#N ZINC000181066380 536363212 /nfs/dbraw/zinc/36/32/12/536363212.db2.gz YLMHDEOAGMSSOE-CYBMUJFWSA-N 2 2 245.330 1.649 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352357919 534696126 /nfs/dbraw/zinc/69/61/26/534696126.db2.gz QQVMYRMBHQMLPH-GXTWGEPZSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352357919 534696129 /nfs/dbraw/zinc/69/61/29/534696129.db2.gz QQVMYRMBHQMLPH-GXTWGEPZSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352357919 534696132 /nfs/dbraw/zinc/69/61/32/534696132.db2.gz QQVMYRMBHQMLPH-GXTWGEPZSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352357919 534696135 /nfs/dbraw/zinc/69/61/35/534696135.db2.gz QQVMYRMBHQMLPH-GXTWGEPZSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261814793 534855234 /nfs/dbraw/zinc/85/52/34/534855234.db2.gz RUQYAPYESXZQKD-QWHCGFSZSA-N 2 2 202.301 1.599 20 30 BDEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261814793 534855236 /nfs/dbraw/zinc/85/52/36/534855236.db2.gz RUQYAPYESXZQKD-QWHCGFSZSA-N 2 2 202.301 1.599 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404114401 527881424 /nfs/dbraw/zinc/88/14/24/527881424.db2.gz BWTAJHQMVVXZRG-ZDUSSCGKSA-N 2 2 247.317 1.881 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404114401 527881428 /nfs/dbraw/zinc/88/14/28/527881428.db2.gz BWTAJHQMVVXZRG-ZDUSSCGKSA-N 2 2 247.317 1.881 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000894229589 583384286 /nfs/dbraw/zinc/38/42/86/583384286.db2.gz UNELXAIKQPIJMB-ZDUSSCGKSA-N 2 2 238.375 1.651 20 30 BDEDLP C[NH+](C)CCC[N@H+](C)CC#Cc1ccccc1 ZINC000894449150 583461941 /nfs/dbraw/zinc/46/19/41/583461941.db2.gz KPXPXFDQAFKORB-UHFFFAOYSA-N 2 2 230.355 1.922 20 30 BDEDLP C[NH+](C)CCC[N@@H+](C)CC#Cc1ccccc1 ZINC000894449150 583461945 /nfs/dbraw/zinc/46/19/45/583461945.db2.gz KPXPXFDQAFKORB-UHFFFAOYSA-N 2 2 230.355 1.922 20 30 BDEDLP C#CC[N@@H+](Cc1c(C)cc[nH+]c1N)C1CC1 ZINC000894468888 583467987 /nfs/dbraw/zinc/46/79/87/583467987.db2.gz ACPGMUGXVKYPNF-UHFFFAOYSA-N 2 2 215.300 1.570 20 30 BDEDLP C#CC[N@H+](Cc1c(C)cc[nH+]c1N)C1CC1 ZINC000894468888 583467989 /nfs/dbraw/zinc/46/79/89/583467989.db2.gz ACPGMUGXVKYPNF-UHFFFAOYSA-N 2 2 215.300 1.570 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ocnc1C ZINC000894863470 583536462 /nfs/dbraw/zinc/53/64/62/583536462.db2.gz DTTJESOPXRNGOW-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ocnc1C ZINC000894863470 583536464 /nfs/dbraw/zinc/53/64/64/583536464.db2.gz DTTJESOPXRNGOW-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857868062 588915565 /nfs/dbraw/zinc/91/55/65/588915565.db2.gz OHULGJSBAAQEKD-ZDUSSCGKSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857868062 588915567 /nfs/dbraw/zinc/91/55/67/588915567.db2.gz OHULGJSBAAQEKD-ZDUSSCGKSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857868062 588915569 /nfs/dbraw/zinc/91/55/69/588915569.db2.gz OHULGJSBAAQEKD-ZDUSSCGKSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857868062 588915570 /nfs/dbraw/zinc/91/55/70/588915570.db2.gz OHULGJSBAAQEKD-ZDUSSCGKSA-N 2 2 246.358 1.332 20 30 BDEDLP C[C@@H](CC[NH2+]Cc1cccc(C#N)n1)[NH+](C)C ZINC000895293135 583639642 /nfs/dbraw/zinc/63/96/42/583639642.db2.gz VBZUISJLLVQXQQ-NSHDSACASA-N 2 2 232.331 1.383 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000883399279 583793954 /nfs/dbraw/zinc/79/39/54/583793954.db2.gz IUPZCEFOZDGNQE-LLVKDONJSA-N 2 2 223.320 1.145 20 30 BDEDLP C#CC[C@@H](COC)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000858335008 588947306 /nfs/dbraw/zinc/94/73/06/588947306.db2.gz KPZCCLPUXLLGHH-LBPRGKRZSA-N 2 2 243.310 1.462 20 30 BDEDLP CC(=[NH+]N[C@H](C)c1ccncc1)c1c[nH]c(N)[nH+]1 ZINC000901253406 584415880 /nfs/dbraw/zinc/41/58/80/584415880.db2.gz AXTHFNTWZSHXRI-MRVPVSSYSA-N 2 2 244.302 1.462 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000903424722 584764590 /nfs/dbraw/zinc/76/45/90/584764590.db2.gz DDKQJKSWZRCSEX-GFCCVEGCSA-N 2 2 231.343 1.954 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](C)C[NH3+] ZINC000903424722 584764591 /nfs/dbraw/zinc/76/45/91/584764591.db2.gz DDKQJKSWZRCSEX-GFCCVEGCSA-N 2 2 231.343 1.954 20 30 BDEDLP C=CCCC[N@@H+](CC)C[C@@H]1C[NH2+]CCO1 ZINC000903850084 584808377 /nfs/dbraw/zinc/80/83/77/584808377.db2.gz JTVOXUOCKBRTFN-LBPRGKRZSA-N 2 2 212.337 1.263 20 30 BDEDLP C=CCCC[N@H+](CC)C[C@@H]1C[NH2+]CCO1 ZINC000903850084 584808378 /nfs/dbraw/zinc/80/83/78/584808378.db2.gz JTVOXUOCKBRTFN-LBPRGKRZSA-N 2 2 212.337 1.263 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=NNc1cc[nH+]cc1 ZINC000779809356 585765503 /nfs/dbraw/zinc/76/55/03/585765503.db2.gz XCEXJTMAEIULTF-UHFFFAOYSA-N 2 2 241.298 1.411 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]N[C@@H]1CCCOC1 ZINC000780262503 585775787 /nfs/dbraw/zinc/77/57/87/585775787.db2.gz OIQPBMWYUWQFSU-GFCCVEGCSA-N 2 2 248.330 1.250 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)COC(C)=O)CC1 ZINC000798184443 586139233 /nfs/dbraw/zinc/13/92/33/586139233.db2.gz VBNUVKZUYDTMDS-NSHDSACASA-N 2 2 240.347 1.178 20 30 BDEDLP C#CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000825519427 587322657 /nfs/dbraw/zinc/32/26/57/587322657.db2.gz FVEDXTUEDSTROS-UHFFFAOYSA-N 2 2 203.289 1.326 20 30 BDEDLP C#CC[N@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000825519427 587322659 /nfs/dbraw/zinc/32/26/59/587322659.db2.gz FVEDXTUEDSTROS-UHFFFAOYSA-N 2 2 203.289 1.326 20 30 BDEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848911374 588419073 /nfs/dbraw/zinc/41/90/73/588419073.db2.gz VJJNJEUJAVWENY-JSGCOSHPSA-N 2 2 236.359 1.241 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000852750392 588700275 /nfs/dbraw/zinc/70/02/75/588700275.db2.gz SYVXJRZELZQKRB-FXBDTBDDSA-N 2 2 202.729 1.715 20 30 BDEDLP C=CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878135860 590504495 /nfs/dbraw/zinc/50/44/95/590504495.db2.gz QZJPOPNRNPWIRV-KBPBESRZSA-N 2 2 238.375 1.605 20 30 BDEDLP C=CC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878135860 590504496 /nfs/dbraw/zinc/50/44/96/590504496.db2.gz QZJPOPNRNPWIRV-KBPBESRZSA-N 2 2 238.375 1.605 20 30 BDEDLP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CSC1 ZINC000878910979 590648545 /nfs/dbraw/zinc/64/85/45/590648545.db2.gz CKMDBQWGLUFPBG-GFCCVEGCSA-N 2 2 238.400 1.521 20 30 BDEDLP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CSC1 ZINC000878910979 590648549 /nfs/dbraw/zinc/64/85/49/590648549.db2.gz CKMDBQWGLUFPBG-GFCCVEGCSA-N 2 2 238.400 1.521 20 30 BDEDLP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CSC1 ZINC000878910979 590648552 /nfs/dbraw/zinc/64/85/52/590648552.db2.gz CKMDBQWGLUFPBG-GFCCVEGCSA-N 2 2 238.400 1.521 20 30 BDEDLP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CSC1 ZINC000878910979 590648553 /nfs/dbraw/zinc/64/85/53/590648553.db2.gz CKMDBQWGLUFPBG-GFCCVEGCSA-N 2 2 238.400 1.521 20 30 BDEDLP C#CC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879206621 590714869 /nfs/dbraw/zinc/71/48/69/590714869.db2.gz PQHQVOFIPBHGSX-UHFFFAOYSA-N 2 2 220.360 1.960 20 30 BDEDLP C=CC[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000883433975 591664305 /nfs/dbraw/zinc/66/43/05/591664305.db2.gz DDWWXHVJNKHVTG-WCFLWFBJSA-N 2 2 234.347 1.111 20 30 BDEDLP C=CC[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000883433975 591664306 /nfs/dbraw/zinc/66/43/06/591664306.db2.gz DDWWXHVJNKHVTG-WCFLWFBJSA-N 2 2 234.347 1.111 20 30 BDEDLP C#CCC1([NH2+]CCCn2cc[nH+]c2)CCOCC1 ZINC000887123178 592446074 /nfs/dbraw/zinc/44/60/74/592446074.db2.gz CRMIBAJQXCXFPM-UHFFFAOYSA-N 2 2 247.342 1.435 20 30 BDEDLP C[C@@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000054179174 636046363 /nfs/dbraw/zinc/04/63/63/636046363.db2.gz HXIOAOAEFKVJCZ-YEJSDXFRSA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054179174 636046367 /nfs/dbraw/zinc/04/63/67/636046367.db2.gz HXIOAOAEFKVJCZ-YEJSDXFRSA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000902446431 637305609 /nfs/dbraw/zinc/30/56/09/637305609.db2.gz OOKWAPVILOKUKZ-SFYZADRCSA-N 2 2 224.333 1.230 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514002 640243993 /nfs/dbraw/zinc/24/39/93/640243993.db2.gz JGEVGVYEVGBEPU-NSHDSACASA-N 2 2 247.342 1.349 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514002 640243996 /nfs/dbraw/zinc/24/39/96/640243996.db2.gz JGEVGVYEVGBEPU-NSHDSACASA-N 2 2 247.342 1.349 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C#N)c1 ZINC000921527841 643587250 /nfs/dbraw/zinc/58/72/50/643587250.db2.gz OZBFIHGFNANRKI-SNVBAGLBSA-N 2 2 246.339 1.995 20 30 BDEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccccc1 ZINC000194366727 644317149 /nfs/dbraw/zinc/31/71/49/644317149.db2.gz IUFHEBPCGDHOGO-UHFFFAOYSA-N 2 2 247.342 1.809 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923421983 644417793 /nfs/dbraw/zinc/41/77/93/644417793.db2.gz FOZWRTWWMQVKRI-CHWSQXEVSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923421983 644417796 /nfs/dbraw/zinc/41/77/96/644417796.db2.gz FOZWRTWWMQVKRI-CHWSQXEVSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925678838 646407434 /nfs/dbraw/zinc/40/74/34/646407434.db2.gz XMNNXUMCXJWOFP-LLVKDONJSA-N 2 2 212.337 1.167 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000383180563 711456206 /nfs/dbraw/zinc/45/62/06/711456206.db2.gz PPDWMIHFZWEAQH-UHFFFAOYSA-N 2 2 231.299 1.196 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000383180563 711456207 /nfs/dbraw/zinc/45/62/07/711456207.db2.gz PPDWMIHFZWEAQH-UHFFFAOYSA-N 2 2 231.299 1.196 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178060096 711674581 /nfs/dbraw/zinc/67/45/81/711674581.db2.gz NOFGQJHSHURCCL-RYUDHWBXSA-N 2 2 206.333 1.615 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178060096 711674582 /nfs/dbraw/zinc/67/45/82/711674582.db2.gz NOFGQJHSHURCCL-RYUDHWBXSA-N 2 2 206.333 1.615 20 30 BDEDLP C[C@H](CCC#N)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000706259642 712142939 /nfs/dbraw/zinc/14/29/39/712142939.db2.gz PCBSGMZRBIUKJB-MGPQQGTHSA-N 2 2 235.375 1.952 20 30 BDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000710007037 712239338 /nfs/dbraw/zinc/23/93/38/712239338.db2.gz ACXVVZFBABZGTK-RYUDHWBXSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000710007037 712239339 /nfs/dbraw/zinc/23/93/39/712239339.db2.gz ACXVVZFBABZGTK-RYUDHWBXSA-N 2 2 223.364 1.999 20 30 BDEDLP C=CCCCCCC[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237175310 979829081 /nfs/dbraw/zinc/82/90/81/979829081.db2.gz IFCJULOHUVNDEF-CYBMUJFWSA-N 2 2 238.375 1.782 20 30 BDEDLP C=CCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237175310 979829087 /nfs/dbraw/zinc/82/90/87/979829087.db2.gz IFCJULOHUVNDEF-CYBMUJFWSA-N 2 2 238.375 1.782 20 30 BDEDLP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(C#N)o1 ZINC001330197252 974152788 /nfs/dbraw/zinc/15/27/88/974152788.db2.gz CNNYHTVWPWUUMT-SECBINFHSA-N 2 2 207.277 1.239 20 30 BDEDLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1C#N ZINC000234963394 958874225 /nfs/dbraw/zinc/87/42/25/958874225.db2.gz AEGZFPJZDZAYIO-UHFFFAOYSA-N 2 2 245.326 1.490 20 30 BDEDLP C=CCn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC001139772369 961499405 /nfs/dbraw/zinc/49/94/05/961499405.db2.gz GZJJERJZEVZYTB-OKILXGFUSA-N 2 2 246.358 1.063 20 30 BDEDLP C=CCn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC001139772369 961499420 /nfs/dbraw/zinc/49/94/20/961499420.db2.gz GZJJERJZEVZYTB-OKILXGFUSA-N 2 2 246.358 1.063 20 30 BDEDLP C=CCn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC001139772369 961499428 /nfs/dbraw/zinc/49/94/28/961499428.db2.gz GZJJERJZEVZYTB-OKILXGFUSA-N 2 2 246.358 1.063 20 30 BDEDLP C=CCn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC001139772369 961499450 /nfs/dbraw/zinc/49/94/50/961499450.db2.gz GZJJERJZEVZYTB-OKILXGFUSA-N 2 2 246.358 1.063 20 30 BDEDLP C[Si](C)(C)C#C[NH2+]Cc1noc2c1C[NH2+]CC2 ZINC001163131816 965259635 /nfs/dbraw/zinc/25/96/35/965259635.db2.gz MNFTXVFALNBPAZ-UHFFFAOYSA-N 2 2 249.390 1.248 20 30 BDEDLP N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117829 965871278 /nfs/dbraw/zinc/87/12/78/965871278.db2.gz WRSJZQFZOBHWNV-CYBMUJFWSA-N 2 2 245.326 1.577 20 30 BDEDLP N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117829 965871288 /nfs/dbraw/zinc/87/12/88/965871288.db2.gz WRSJZQFZOBHWNV-CYBMUJFWSA-N 2 2 245.326 1.577 20 30 BDEDLP N#Cc1ccc(CCC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236169592 966282664 /nfs/dbraw/zinc/28/26/64/966282664.db2.gz LHWWNNUNJBTSPP-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP N#Cc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236169592 966282668 /nfs/dbraw/zinc/28/26/68/966282668.db2.gz LHWWNNUNJBTSPP-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP C#CCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163368292 968028951 /nfs/dbraw/zinc/02/89/51/968028951.db2.gz UYOVRWWYFJNCNE-CYBMUJFWSA-N 2 2 229.327 1.265 20 30 BDEDLP C#CCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163368292 968028966 /nfs/dbraw/zinc/02/89/66/968028966.db2.gz UYOVRWWYFJNCNE-CYBMUJFWSA-N 2 2 229.327 1.265 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206185223 968116015 /nfs/dbraw/zinc/11/60/15/968116015.db2.gz MAAPRZDKAQTUAV-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206185223 968116025 /nfs/dbraw/zinc/11/60/25/968116025.db2.gz MAAPRZDKAQTUAV-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206185227 968116196 /nfs/dbraw/zinc/11/61/96/968116196.db2.gz MAAPRZDKAQTUAV-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206185227 968116202 /nfs/dbraw/zinc/11/62/02/968116202.db2.gz MAAPRZDKAQTUAV-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108233 969445031 /nfs/dbraw/zinc/44/50/31/969445031.db2.gz PLMPWPGZIYPZQR-RVMXOQNASA-N 2 2 221.348 1.893 20 30 BDEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108233 969445037 /nfs/dbraw/zinc/44/50/37/969445037.db2.gz PLMPWPGZIYPZQR-RVMXOQNASA-N 2 2 221.348 1.893 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001169153909 969474411 /nfs/dbraw/zinc/47/44/11/969474411.db2.gz MFHHYKPZWTVXQM-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001169153909 969474414 /nfs/dbraw/zinc/47/44/14/969474414.db2.gz MFHHYKPZWTVXQM-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@](C)(C#N)C1)C2 ZINC001169153909 969474416 /nfs/dbraw/zinc/47/44/16/969474416.db2.gz MFHHYKPZWTVXQM-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@](C)(C#N)C1)C2 ZINC001169153909 969474417 /nfs/dbraw/zinc/47/44/17/969474417.db2.gz MFHHYKPZWTVXQM-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[C@H]([NH3+])c1ccn(-c2cc[nH+]c(CC#N)c2)n1 ZINC001169235218 969483391 /nfs/dbraw/zinc/48/33/91/969483391.db2.gz SOXSHHAMEADGQZ-VIFPVBQESA-N 2 2 227.271 1.353 20 30 BDEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001169240410 969522861 /nfs/dbraw/zinc/52/28/61/969522861.db2.gz HPJDCFZPWIWPJK-UHFFFAOYSA-N 2 2 244.342 1.527 20 30 BDEDLP N#CCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254847394 969803761 /nfs/dbraw/zinc/80/37/61/969803761.db2.gz GNIUKGYSYGZVIV-LBPRGKRZSA-N 2 2 207.321 1.364 20 30 BDEDLP CC[C@@H](CC#N)n1c[nH+]c(C)c1CC[NH3+] ZINC001255152970 969958155 /nfs/dbraw/zinc/95/81/55/969958155.db2.gz LQFILMPRHGJGNP-JTQLQIEISA-N 2 2 206.293 1.558 20 30 BDEDLP C#Cc1cc(Nc2cccc(C[NH2+]C)c2)cc[nH+]1 ZINC001211134522 970157967 /nfs/dbraw/zinc/15/79/67/970157967.db2.gz NKSQBRSTKIEJPH-UHFFFAOYSA-N 2 2 237.306 1.948 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552177 972735407 /nfs/dbraw/zinc/73/54/07/972735407.db2.gz VVTCIKMFKOUGBC-YWPYICTPSA-N 2 2 243.354 1.911 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552177 972735414 /nfs/dbraw/zinc/73/54/14/972735414.db2.gz VVTCIKMFKOUGBC-YWPYICTPSA-N 2 2 243.354 1.911 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001171180626 972818545 /nfs/dbraw/zinc/81/85/45/972818545.db2.gz BPKHQDGBHPFPSZ-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001171180626 972818548 /nfs/dbraw/zinc/81/85/48/972818548.db2.gz BPKHQDGBHPFPSZ-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP C#CC[NH+](CC#C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017188 977843067 /nfs/dbraw/zinc/84/30/67/977843067.db2.gz MPDLIPSSLWLYFR-UHFFFAOYSA-N 2 2 223.279 1.631 20 30 BDEDLP N#CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235988327 979265551 /nfs/dbraw/zinc/26/55/51/979265551.db2.gz GUVSWMOZAJUZMC-HUUCEWRRSA-N 2 2 241.338 1.676 20 30 BDEDLP N#CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235988327 979265559 /nfs/dbraw/zinc/26/55/59/979265559.db2.gz GUVSWMOZAJUZMC-HUUCEWRRSA-N 2 2 241.338 1.676 20 30 BDEDLP N#CCc1ccccc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235988324 979266694 /nfs/dbraw/zinc/26/66/94/979266694.db2.gz GUVSWMOZAJUZMC-CABCVRRESA-N 2 2 241.338 1.676 20 30 BDEDLP N#CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235988324 979266702 /nfs/dbraw/zinc/26/67/02/979266702.db2.gz GUVSWMOZAJUZMC-CABCVRRESA-N 2 2 241.338 1.676 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041254 986432622 /nfs/dbraw/zinc/43/26/22/986432622.db2.gz YHMYRNNMSRVRDF-PZWNZHSQSA-N 2 2 205.305 1.161 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246035479 987336579 /nfs/dbraw/zinc/33/65/79/987336579.db2.gz SDZZPBKSADWMHD-KGLIPLIRSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246035479 987336586 /nfs/dbraw/zinc/33/65/86/987336586.db2.gz SDZZPBKSADWMHD-KGLIPLIRSA-N 2 2 238.375 1.532 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246099647 987420874 /nfs/dbraw/zinc/42/08/74/987420874.db2.gz RRDRTIJNIFEWSP-SDDRHHMPSA-N 2 2 209.337 1.656 20 30 BDEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246280994 987675257 /nfs/dbraw/zinc/67/52/57/987675257.db2.gz UCAPUAWKAHZUCN-ZACCUICWSA-N 2 2 205.305 1.163 20 30 BDEDLP N#CCC1([NH2+]C2CC[NH2+]CC2)CCCC1 ZINC001246527617 987881984 /nfs/dbraw/zinc/88/19/84/987881984.db2.gz TVWROVYIPMPFFK-UHFFFAOYSA-N 2 2 207.321 1.554 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566132 988028097 /nfs/dbraw/zinc/02/80/97/988028097.db2.gz GCKSRPKZXKJEOG-LALPHHSUSA-N 2 2 243.354 1.768 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566132 988028115 /nfs/dbraw/zinc/02/81/15/988028115.db2.gz GCKSRPKZXKJEOG-LALPHHSUSA-N 2 2 243.354 1.768 20 30 BDEDLP C#CCN(Cc1[nH]c(C)c(C)[nH+]1)C1CC[NH2+]CC1 ZINC001574673146 992889159 /nfs/dbraw/zinc/88/91/59/992889159.db2.gz HWDBIWJQHSCSEV-UHFFFAOYSA-N 2 2 246.358 1.214 20 30 BDEDLP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001262562981 992918095 /nfs/dbraw/zinc/91/80/95/992918095.db2.gz QSYQFJSNGZSDDI-CHWSQXEVSA-N 2 2 234.347 1.361 20 30 BDEDLP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001262562981 992918102 /nfs/dbraw/zinc/91/81/02/992918102.db2.gz QSYQFJSNGZSDDI-CHWSQXEVSA-N 2 2 234.347 1.361 20 30 BDEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1OC ZINC001574901518 992941525 /nfs/dbraw/zinc/94/15/25/992941525.db2.gz LAOPHTZWWFEDIM-IJLUTSLNSA-N 2 2 212.337 1.308 20 30 BDEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001336763770 995100486 /nfs/dbraw/zinc/10/04/86/995100486.db2.gz RSTPMRFANYYFGE-ZIAGYGMSSA-N 2 2 248.374 1.750 20 30 BDEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001336763770 995100492 /nfs/dbraw/zinc/10/04/92/995100492.db2.gz RSTPMRFANYYFGE-ZIAGYGMSSA-N 2 2 248.374 1.750 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602525693 349577756 /nfs/dbraw/zinc/57/77/56/349577756.db2.gz HLFTYFQGUFTSDR-LBPRGKRZSA-N 2 2 211.353 1.856 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602525693 349577759 /nfs/dbraw/zinc/57/77/59/349577759.db2.gz HLFTYFQGUFTSDR-LBPRGKRZSA-N 2 2 211.353 1.856 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CC(C)(C)[NH+](C)C ZINC000602504151 349581056 /nfs/dbraw/zinc/58/10/56/349581056.db2.gz KSBYOLAWNGTRDN-LLVKDONJSA-N 2 2 211.353 1.856 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000602512590 349585822 /nfs/dbraw/zinc/58/58/22/349585822.db2.gz VPCJAEXOQPATRW-NEPJUHHUSA-N 2 2 220.320 1.801 20 30 BDEDLP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)CC1(C)C ZINC000600143519 342689814 /nfs/dbraw/zinc/68/98/14/342689814.db2.gz DFHRKGFJHZEZOE-LLVKDONJSA-N 2 2 223.364 1.999 20 30 BDEDLP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)CC1(C)C ZINC000600143519 342689815 /nfs/dbraw/zinc/68/98/15/342689815.db2.gz DFHRKGFJHZEZOE-LLVKDONJSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000602620781 349641229 /nfs/dbraw/zinc/64/12/29/349641229.db2.gz GDYMCUGEMVMXRW-VXGBXAGGSA-N 2 2 232.331 1.727 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313261166 259332135 /nfs/dbraw/zinc/33/21/35/259332135.db2.gz ISFNFWJIUYGWSX-LLVKDONJSA-N 2 2 207.321 1.907 20 30 BDEDLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000313270334 259332771 /nfs/dbraw/zinc/33/27/71/259332771.db2.gz MXFOJQVWCDYCLD-UHFFFAOYSA-N 2 2 240.310 1.624 20 30 BDEDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043326267 343051368 /nfs/dbraw/zinc/05/13/68/343051368.db2.gz WJBTZHWZDFYFGZ-FZMZJTMJSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@@H](CC#N)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000602864285 349795867 /nfs/dbraw/zinc/79/58/67/349795867.db2.gz RRIOCNODIXXKLX-NWDGAFQWSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@@H](CC#N)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000602864285 349795868 /nfs/dbraw/zinc/79/58/68/349795868.db2.gz RRIOCNODIXXKLX-NWDGAFQWSA-N 2 2 209.337 1.753 20 30 BDEDLP N#CCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000518360003 344210854 /nfs/dbraw/zinc/21/08/54/344210854.db2.gz NECNCCMYXYIWPO-CHWSQXEVSA-N 2 2 249.358 1.037 20 30 BDEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135166677 344322582 /nfs/dbraw/zinc/32/25/82/344322582.db2.gz DZTQSKGTFOZEKI-LBPRGKRZSA-N 2 2 247.342 1.971 20 30 BDEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135166677 344322584 /nfs/dbraw/zinc/32/25/84/344322584.db2.gz DZTQSKGTFOZEKI-LBPRGKRZSA-N 2 2 247.342 1.971 20 30 BDEDLP C=C(Br)C[NH2+]C1CC[NH+](C)CC1 ZINC000037681277 344526436 /nfs/dbraw/zinc/52/64/36/344526436.db2.gz CMSHLFQKLPLUOK-UHFFFAOYSA-N 2 2 233.153 1.579 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376648 344852404 /nfs/dbraw/zinc/85/24/04/344852404.db2.gz YQHNLSOJJRTIIG-FRRDWIJNSA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376648 344852405 /nfs/dbraw/zinc/85/24/05/344852405.db2.gz YQHNLSOJJRTIIG-FRRDWIJNSA-N 2 2 234.347 1.502 20 30 BDEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000107576613 345560430 /nfs/dbraw/zinc/56/04/30/345560430.db2.gz DDUXSTFOULVUDE-CHWSQXEVSA-N 2 2 245.301 1.349 20 30 BDEDLP C=C[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000291444006 346385760 /nfs/dbraw/zinc/38/57/60/346385760.db2.gz CBVCKOMCHBNVBM-CYBMUJFWSA-N 2 2 220.316 1.459 20 30 BDEDLP C=CCCn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)nn1 ZINC000641802170 362758564 /nfs/dbraw/zinc/75/85/64/362758564.db2.gz YPCVTPVQRLCMOI-NWDGAFQWSA-N 2 2 249.362 1.070 20 30 BDEDLP C=C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000591376668 347650536 /nfs/dbraw/zinc/65/05/36/347650536.db2.gz RXUBTSFSUCRIHU-GFCCVEGCSA-N 2 2 240.347 1.178 20 30 BDEDLP C=C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000591376668 347650539 /nfs/dbraw/zinc/65/05/39/347650539.db2.gz RXUBTSFSUCRIHU-GFCCVEGCSA-N 2 2 240.347 1.178 20 30 BDEDLP C=C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000591376669 347650617 /nfs/dbraw/zinc/65/06/17/347650617.db2.gz RXUBTSFSUCRIHU-LBPRGKRZSA-N 2 2 240.347 1.178 20 30 BDEDLP C=C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000591376669 347650620 /nfs/dbraw/zinc/65/06/20/347650620.db2.gz RXUBTSFSUCRIHU-LBPRGKRZSA-N 2 2 240.347 1.178 20 30 BDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000591577134 347676888 /nfs/dbraw/zinc/67/68/88/347676888.db2.gz LQBYTVGVTAXTLC-ZFWWWQNUSA-N 2 2 241.338 1.887 20 30 BDEDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C#N)c(F)c1 ZINC000591581373 347677851 /nfs/dbraw/zinc/67/78/51/347677851.db2.gz SJWLOAWCQSWJAD-DTWKUNHWSA-N 2 2 221.279 1.695 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000591733923 347694255 /nfs/dbraw/zinc/69/42/55/347694255.db2.gz MDQLTKOTNHVPAZ-UHFFFAOYSA-N 2 2 207.321 1.530 20 30 BDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](C#N)CCC#N ZINC000591742998 347695133 /nfs/dbraw/zinc/69/51/33/347695133.db2.gz QVIFRKAEPCMDLK-KGLIPLIRSA-N 2 2 248.374 1.894 20 30 BDEDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccncc1C#N ZINC000592478503 347791185 /nfs/dbraw/zinc/79/11/85/347791185.db2.gz FOPRJFMWBFMTSE-MNOVXSKESA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccncc1C#N ZINC000592478503 347791187 /nfs/dbraw/zinc/79/11/87/347791187.db2.gz FOPRJFMWBFMTSE-MNOVXSKESA-N 2 2 230.315 1.122 20 30 BDEDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C#N)s2)n1C ZINC000594949973 348147409 /nfs/dbraw/zinc/14/74/09/348147409.db2.gz JWCWZUKVNAVJBU-UHFFFAOYSA-N 2 2 246.339 1.952 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955715 348148917 /nfs/dbraw/zinc/14/89/17/348148917.db2.gz SPSNBFJGSGEZFO-WFASDCNBSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955715 348148918 /nfs/dbraw/zinc/14/89/18/348148918.db2.gz SPSNBFJGSGEZFO-WFASDCNBSA-N 2 2 243.354 1.640 20 30 BDEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000595095080 348193682 /nfs/dbraw/zinc/19/36/82/348193682.db2.gz FFFXPBPERBUQPC-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000595095080 348193685 /nfs/dbraw/zinc/19/36/85/348193685.db2.gz FFFXPBPERBUQPC-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000303550440 490166017 /nfs/dbraw/zinc/16/60/17/490166017.db2.gz JDUKDWWGPMDOLB-VXGBXAGGSA-N 2 2 224.348 1.404 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000303550440 490166025 /nfs/dbraw/zinc/16/60/25/490166025.db2.gz JDUKDWWGPMDOLB-VXGBXAGGSA-N 2 2 224.348 1.404 20 30 BDEDLP C[C@@H]([NH2+]CC1(C#N)CCCCC1)C1C[NH2+]C1 ZINC000596650079 348605349 /nfs/dbraw/zinc/60/53/49/348605349.db2.gz FTYJCCNJZAHDQN-LLVKDONJSA-N 2 2 221.348 1.658 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000596654185 348607774 /nfs/dbraw/zinc/60/77/74/348607774.db2.gz HKWLSDUHIMMMSV-QMTHXVAHSA-N 2 2 229.327 1.743 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365656495 350557227 /nfs/dbraw/zinc/55/72/27/350557227.db2.gz BVROLOLRXQCBIC-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP CC#CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365656495 350557229 /nfs/dbraw/zinc/55/72/29/350557229.db2.gz BVROLOLRXQCBIC-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP N#CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037240170 358470275 /nfs/dbraw/zinc/47/02/75/358470275.db2.gz CJLPRHCOHZZIAB-UHFFFAOYSA-N 2 2 230.315 1.554 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768859 353282487 /nfs/dbraw/zinc/28/24/87/353282487.db2.gz UXEBGRLZEPVGCH-MNOVXSKESA-N 2 2 207.321 1.220 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768859 353282489 /nfs/dbraw/zinc/28/24/89/353282489.db2.gz UXEBGRLZEPVGCH-MNOVXSKESA-N 2 2 207.321 1.220 20 30 BDEDLP Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000398984153 353417127 /nfs/dbraw/zinc/41/71/27/353417127.db2.gz HFHIGYQJJZCIMQ-GWCFXTLKSA-N 2 2 244.342 1.683 20 30 BDEDLP Cn1c[nH+]cc1CC[NH+]1CCC(CCC#N)CC1 ZINC000574986175 353511684 /nfs/dbraw/zinc/51/16/84/353511684.db2.gz YKUWUFWNSHKOBL-UHFFFAOYSA-N 2 2 246.358 1.978 20 30 BDEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289513907 353630363 /nfs/dbraw/zinc/63/03/63/353630363.db2.gz OVUYAGZMVGGWJD-ZDUSSCGKSA-N 2 2 243.354 1.657 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2[nH]ncc2C)CC1 ZINC000289590299 353633282 /nfs/dbraw/zinc/63/32/82/353633282.db2.gz UBQGAIGWJPCKIV-UHFFFAOYSA-N 2 2 234.347 1.458 20 30 BDEDLP C=CC[NH+](CC=C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289926377 353643184 /nfs/dbraw/zinc/64/31/84/353643184.db2.gz OYHFKUPZCLQOSN-ZDUSSCGKSA-N 2 2 224.348 1.116 20 30 BDEDLP C=CC[NH+](CC=C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289926377 353643188 /nfs/dbraw/zinc/64/31/88/353643188.db2.gz OYHFKUPZCLQOSN-ZDUSSCGKSA-N 2 2 224.348 1.116 20 30 BDEDLP C#Cc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000290213245 353651438 /nfs/dbraw/zinc/65/14/38/353651438.db2.gz FAHDXSWHYJKYIV-UHFFFAOYSA-N 2 2 228.339 1.853 20 30 BDEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343318188 353664917 /nfs/dbraw/zinc/66/49/17/353664917.db2.gz XEIUIHZONXMZKO-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343318188 353664923 /nfs/dbraw/zinc/66/49/23/353664923.db2.gz XEIUIHZONXMZKO-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343319364 353673506 /nfs/dbraw/zinc/67/35/06/353673506.db2.gz ZUBICCHXIPTRRS-NSHDSACASA-N 2 2 207.321 1.174 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343319364 353673509 /nfs/dbraw/zinc/67/35/09/353673509.db2.gz ZUBICCHXIPTRRS-NSHDSACASA-N 2 2 207.321 1.174 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1nccn1C ZINC000294884457 353792562 /nfs/dbraw/zinc/79/25/62/353792562.db2.gz DNYUMOMWNZPGIT-ZDUSSCGKSA-N 2 2 248.374 1.416 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1nccn1C ZINC000294884457 353792565 /nfs/dbraw/zinc/79/25/65/353792565.db2.gz DNYUMOMWNZPGIT-ZDUSSCGKSA-N 2 2 248.374 1.416 20 30 BDEDLP N#C[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826385 181070315 /nfs/dbraw/zinc/07/03/15/181070315.db2.gz AENHRPHNKRQHEE-GHMZBOCLSA-N 2 2 204.277 1.165 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000344269696 354187685 /nfs/dbraw/zinc/18/76/85/354187685.db2.gz CEVIGLVCPUXVCP-TZMCWYRMSA-N 2 2 237.391 1.177 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063974 181108559 /nfs/dbraw/zinc/10/85/59/181108559.db2.gz POMUFWDWSLGOMD-UHFFFAOYSA-N 2 2 226.283 1.545 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000135666392 181108715 /nfs/dbraw/zinc/10/87/15/181108715.db2.gz KJFDRZRXMIKUTF-UHFFFAOYSA-N 2 2 246.339 1.996 20 30 BDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000333467405 134110029 /nfs/dbraw/zinc/11/00/29/134110029.db2.gz HRGNIEVQEQOGNJ-YVECIDJPSA-N 2 2 237.347 1.035 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000167749015 134153853 /nfs/dbraw/zinc/15/38/53/134153853.db2.gz CBQSRKSYXUCCGI-VHSXEESVSA-N 2 2 218.728 1.096 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000192539460 357843730 /nfs/dbraw/zinc/84/37/30/357843730.db2.gz DROJXRHGRRFPNG-GXTWGEPZSA-N 2 2 238.375 1.651 20 30 BDEDLP CC#CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982927 358026488 /nfs/dbraw/zinc/02/64/88/358026488.db2.gz YETJHVJHRNTCOA-UHFFFAOYSA-N 2 2 220.360 1.960 20 30 BDEDLP CC#CC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017330 358080581 /nfs/dbraw/zinc/08/05/81/358080581.db2.gz MVOOSIHVMRXEMM-UHFFFAOYSA-N 2 2 208.349 1.816 20 30 BDEDLP CC[N@H+](CCCn1cc[nH+]c1)C[C@@H](C)C#N ZINC000042449805 358523242 /nfs/dbraw/zinc/52/32/42/358523242.db2.gz VHKHZMJSIOYXDC-LBPRGKRZSA-N 2 2 220.320 1.755 20 30 BDEDLP CC[N@@H+](CCCn1cc[nH+]c1)C[C@@H](C)C#N ZINC000042449805 358523247 /nfs/dbraw/zinc/52/32/47/358523247.db2.gz VHKHZMJSIOYXDC-LBPRGKRZSA-N 2 2 220.320 1.755 20 30 BDEDLP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423315927 192703199 /nfs/dbraw/zinc/70/31/99/192703199.db2.gz XSWDHEJCLCJECI-RYUDHWBXSA-N 2 2 209.337 1.658 20 30 BDEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000404285460 359445643 /nfs/dbraw/zinc/44/56/43/359445643.db2.gz XHCXGCHSXLZLHF-STQMWFEESA-N 2 2 245.301 1.349 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000629509772 361104541 /nfs/dbraw/zinc/10/45/41/361104541.db2.gz KIBRVKHHNDEUKD-STQMWFEESA-N 2 2 240.391 1.945 20 30 BDEDLP C[C@H](C#N)C[NH+](C)C/C=C/C[N@@H+](C)C[C@H](C)C#N ZINC000064798458 368613776 /nfs/dbraw/zinc/61/37/76/368613776.db2.gz OCWHUVGUIZYQGE-QAMKJQMISA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@H](C#N)C[NH+](C)C/C=C/C[N@H+](C)C[C@H](C)C#N ZINC000064798458 368613779 /nfs/dbraw/zinc/61/37/79/368613779.db2.gz OCWHUVGUIZYQGE-QAMKJQMISA-N 2 2 248.374 1.726 20 30 BDEDLP C=CCNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000066246656 368642481 /nfs/dbraw/zinc/64/24/81/368642481.db2.gz VSHONANDQMXHEH-UHFFFAOYSA-N 2 2 247.346 1.364 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000619672780 369521268 /nfs/dbraw/zinc/52/12/68/369521268.db2.gz ZQJQJAOFMJAOMP-HZSPNIEDSA-N 2 2 233.359 1.753 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000619672780 369521274 /nfs/dbraw/zinc/52/12/74/369521274.db2.gz ZQJQJAOFMJAOMP-HZSPNIEDSA-N 2 2 233.359 1.753 20 30 BDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000619718120 369547525 /nfs/dbraw/zinc/54/75/25/369547525.db2.gz AXZSFUUYYGDODD-NSHDSACASA-N 2 2 249.314 1.317 20 30 BDEDLP C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CCC[NH2+]C1 ZINC000600769794 369563960 /nfs/dbraw/zinc/56/39/60/369563960.db2.gz RHVAGQQTRLVTKJ-ZDUSSCGKSA-N 2 2 233.315 1.631 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602472551 369793414 /nfs/dbraw/zinc/79/34/14/369793414.db2.gz KXZBVXDYNJQXQR-GFCCVEGCSA-N 2 2 244.342 1.337 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602472551 369793418 /nfs/dbraw/zinc/79/34/18/369793418.db2.gz KXZBVXDYNJQXQR-GFCCVEGCSA-N 2 2 244.342 1.337 20 30 BDEDLP Cc1cc(N2CCC[C@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000075563228 370145645 /nfs/dbraw/zinc/14/56/45/370145645.db2.gz ILWSUOUQWHWRQK-NSHDSACASA-N 2 2 216.288 1.189 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000165159635 206139246 /nfs/dbraw/zinc/13/92/46/206139246.db2.gz NZIANTPSNXOYPM-LLVKDONJSA-N 2 2 235.356 1.804 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000165159635 206139250 /nfs/dbraw/zinc/13/92/50/206139250.db2.gz NZIANTPSNXOYPM-LLVKDONJSA-N 2 2 235.356 1.804 20 30 BDEDLP CCCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905236 385454263 /nfs/dbraw/zinc/45/42/63/385454263.db2.gz OLYXMZWPXLEVFX-UHFFFAOYSA-N 2 2 235.335 1.198 20 30 BDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+](C)C ZINC000291724058 385930811 /nfs/dbraw/zinc/93/08/11/385930811.db2.gz MXXMSBFXAVUZND-LLVKDONJSA-N 2 2 249.333 1.985 20 30 BDEDLP N#Cc1csc(C[NH2+]CCn2cc[nH+]c2)n1 ZINC000309553627 386534722 /nfs/dbraw/zinc/53/47/22/386534722.db2.gz GTOONHMVODAHLK-UHFFFAOYSA-N 2 2 233.300 1.001 20 30 BDEDLP CC[NH+](CC)C[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399538248 386971781 /nfs/dbraw/zinc/97/17/81/386971781.db2.gz XNWHDZFRYLEVRE-GFCCVEGCSA-N 2 2 246.358 1.826 20 30 BDEDLP Cc1cc(NCCC[N@@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399543834 386994216 /nfs/dbraw/zinc/99/42/16/386994216.db2.gz ZUDHGLKLIFAGRD-UHFFFAOYSA-N 2 2 246.358 1.826 20 30 BDEDLP Cc1cc(NCCC[N@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399543834 386994222 /nfs/dbraw/zinc/99/42/22/386994222.db2.gz ZUDHGLKLIFAGRD-UHFFFAOYSA-N 2 2 246.358 1.826 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000327980311 387601306 /nfs/dbraw/zinc/60/13/06/387601306.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000327980311 387601308 /nfs/dbraw/zinc/60/13/08/387601308.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980311 387601313 /nfs/dbraw/zinc/60/13/13/387601313.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980311 387601314 /nfs/dbraw/zinc/60/13/14/387601314.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 3 2 237.391 1.014 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422863843 387746714 /nfs/dbraw/zinc/74/67/14/387746714.db2.gz SLIAXMVWFVFGHE-JSGCOSHPSA-N 3 2 237.391 1.354 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000527738117 387705050 /nfs/dbraw/zinc/70/50/50/387705050.db2.gz TYXQIYHWSWEVHD-CYBMUJFWSA-N 2 2 240.391 1.899 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000527738117 387705054 /nfs/dbraw/zinc/70/50/54/387705054.db2.gz TYXQIYHWSWEVHD-CYBMUJFWSA-N 2 2 240.391 1.899 20 30 BDEDLP CCC[N@H+](CC)CCNc1cc(C)[nH+]cc1C#N ZINC000399486969 387709781 /nfs/dbraw/zinc/70/97/81/387709781.db2.gz FMNXWEXUTFRZAZ-UHFFFAOYSA-N 2 2 246.358 1.827 20 30 BDEDLP CCC[N@@H+](CC)CCNc1cc(C)[nH+]cc1C#N ZINC000399486969 387709787 /nfs/dbraw/zinc/70/97/87/387709787.db2.gz FMNXWEXUTFRZAZ-UHFFFAOYSA-N 2 2 246.358 1.827 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389243 388191843 /nfs/dbraw/zinc/19/18/43/388191843.db2.gz CGZOOXOTLRWSLG-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389243 388191844 /nfs/dbraw/zinc/19/18/44/388191844.db2.gz CGZOOXOTLRWSLG-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447301 388208833 /nfs/dbraw/zinc/20/88/33/388208833.db2.gz XYYNROGZSUDPEY-ZOBORPQBSA-N 2 2 235.375 1.999 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447301 388208834 /nfs/dbraw/zinc/20/88/34/388208834.db2.gz XYYNROGZSUDPEY-ZOBORPQBSA-N 2 2 235.375 1.999 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449518691 388222477 /nfs/dbraw/zinc/22/24/77/388222477.db2.gz KIPIMWOOHFAWST-OLZOCXBDSA-N 2 2 243.310 1.767 20 30 BDEDLP C[C@@H]([NH2+]CC[NH3+])c1ccc(C#N)cc1F ZINC000423175380 388688059 /nfs/dbraw/zinc/68/80/59/388688059.db2.gz ABFXHJHMQFQGQL-MRVPVSSYSA-N 2 2 207.252 1.307 20 30 BDEDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423361965 388690883 /nfs/dbraw/zinc/69/08/83/388690883.db2.gz HHEWEDLCSQSLQW-DTWKUNHWSA-N 2 2 221.279 1.695 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000565168310 388920729 /nfs/dbraw/zinc/92/07/29/388920729.db2.gz CRVVZNCRZZHVKB-NEPJUHHUSA-N 2 2 209.337 1.753 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000565168310 388920732 /nfs/dbraw/zinc/92/07/32/388920732.db2.gz CRVVZNCRZZHVKB-NEPJUHHUSA-N 2 2 209.337 1.753 20 30 BDEDLP Cc1cc(N2CCC3(CC[NH2+]3)CC2)c(C#N)c[nH+]1 ZINC000333597211 132245150 /nfs/dbraw/zinc/24/51/50/132245150.db2.gz PXPJBRXDCACOHX-UHFFFAOYSA-N 2 2 242.326 1.594 20 30 BDEDLP CC#CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361520676 134206362 /nfs/dbraw/zinc/20/63/62/134206362.db2.gz VPHRCSZTLMVKJA-UHFFFAOYSA-N 2 2 245.326 1.236 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000185709800 134392099 /nfs/dbraw/zinc/39/20/99/134392099.db2.gz NICMPVAEQUIKTI-STQMWFEESA-N 2 2 232.331 1.945 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000309568907 134598807 /nfs/dbraw/zinc/59/88/07/134598807.db2.gz MBIRVKQEDWDIIN-UTUOFQBUSA-N 2 2 219.332 1.505 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000309568907 134598808 /nfs/dbraw/zinc/59/88/08/134598808.db2.gz MBIRVKQEDWDIIN-UTUOFQBUSA-N 2 2 219.332 1.505 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2conc2CC)CC1 ZINC000339243322 135067599 /nfs/dbraw/zinc/06/75/99/135067599.db2.gz ZJFFJNXYHGKEAI-UHFFFAOYSA-N 2 2 249.358 1.977 20 30 BDEDLP CNC(NC[C@H](c1ccsc1)[NH+](C)C)=[NH+]C ZINC000264106839 135133113 /nfs/dbraw/zinc/13/31/13/135133113.db2.gz PUOSULVATJNBBV-SNVBAGLBSA-N 2 2 240.376 1.146 20 30 BDEDLP CC(C)CCC(N)=[NH+]OCc1c[nH+]cn1C ZINC000267822361 135156208 /nfs/dbraw/zinc/15/62/08/135156208.db2.gz XVHTZCRBKYGKTF-UHFFFAOYSA-N 2 2 224.308 1.645 20 30 BDEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NCC(C)C ZINC000269938935 135167900 /nfs/dbraw/zinc/16/79/00/135167900.db2.gz FSTKKHATPOMVQT-UHFFFAOYSA-N 2 2 234.347 1.493 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000121955656 135226267 /nfs/dbraw/zinc/22/62/67/135226267.db2.gz RHXJOOPYQILBFC-QJPTWQEYSA-N 2 2 212.337 1.308 20 30 BDEDLP CC#CCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000341116854 135234233 /nfs/dbraw/zinc/23/42/33/135234233.db2.gz WTBXEXSHSQDSSA-UHFFFAOYSA-N 2 2 243.354 1.925 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cscn1 ZINC000294964467 135379083 /nfs/dbraw/zinc/37/90/83/135379083.db2.gz JLRDEVNDPQFDTB-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cscn1 ZINC000294964467 135379085 /nfs/dbraw/zinc/37/90/85/135379085.db2.gz JLRDEVNDPQFDTB-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649621692 398005579 /nfs/dbraw/zinc/00/55/79/398005579.db2.gz JUCFVSUAVLMKML-UTUOFQBUSA-N 2 2 210.321 1.014 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649621692 398005584 /nfs/dbraw/zinc/00/55/84/398005584.db2.gz JUCFVSUAVLMKML-UTUOFQBUSA-N 2 2 210.321 1.014 20 30 BDEDLP Cn1cc(C[NH+]2CCC([NH+](C)C)CC2)cc1C#N ZINC000191241514 398102728 /nfs/dbraw/zinc/10/27/28/398102728.db2.gz ZRHBFAKXXSHJPD-UHFFFAOYSA-N 2 2 246.358 1.423 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000423173152 411236737 /nfs/dbraw/zinc/23/67/37/411236737.db2.gz XDXVXEQTCRSVLJ-WDEREUQCSA-N 2 2 209.337 1.514 20 30 BDEDLP C=C[C@H](CO)[NH2+]CCc1cc[nH+]cc1C ZINC000662168780 411372551 /nfs/dbraw/zinc/37/25/51/411372551.db2.gz UOQGYTBKWFBBAU-GFCCVEGCSA-N 2 2 206.289 1.069 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590554 411427615 /nfs/dbraw/zinc/42/76/15/411427615.db2.gz IZOHCJZTQGCTOK-VXGBXAGGSA-N 2 2 235.331 1.146 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590554 411427618 /nfs/dbraw/zinc/42/76/18/411427618.db2.gz IZOHCJZTQGCTOK-VXGBXAGGSA-N 2 2 235.331 1.146 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336753657 173034919 /nfs/dbraw/zinc/03/49/19/173034919.db2.gz GZMBWVPBSXUCHN-QJPTWQEYSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336753657 173034921 /nfs/dbraw/zinc/03/49/21/173034921.db2.gz GZMBWVPBSXUCHN-QJPTWQEYSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769185 173168765 /nfs/dbraw/zinc/16/87/65/173168765.db2.gz KGRGYMRUFOTACT-AWEZNQCLSA-N 2 2 245.326 1.679 20 30 BDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769185 173168768 /nfs/dbraw/zinc/16/87/68/173168768.db2.gz KGRGYMRUFOTACT-AWEZNQCLSA-N 2 2 245.326 1.679 20 30 BDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769185 173168770 /nfs/dbraw/zinc/16/87/70/173168770.db2.gz KGRGYMRUFOTACT-AWEZNQCLSA-N 2 2 245.326 1.679 20 30 BDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769185 173168772 /nfs/dbraw/zinc/16/87/72/173168772.db2.gz KGRGYMRUFOTACT-AWEZNQCLSA-N 2 2 245.326 1.679 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000133022411 173379567 /nfs/dbraw/zinc/37/95/67/173379567.db2.gz WOWUMHVUAAIWJC-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000133022411 173379569 /nfs/dbraw/zinc/37/95/69/173379569.db2.gz WOWUMHVUAAIWJC-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000399488207 267301479 /nfs/dbraw/zinc/30/14/79/267301479.db2.gz HADLAGZJBBTQFS-LBPRGKRZSA-N 2 2 242.326 1.332 20 30 BDEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000567707282 326248956 /nfs/dbraw/zinc/24/89/56/326248956.db2.gz PCWAAISYPOGXKC-KGLIPLIRSA-N 2 2 248.374 1.894 20 30 BDEDLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000567707282 326248958 /nfs/dbraw/zinc/24/89/58/326248958.db2.gz PCWAAISYPOGXKC-KGLIPLIRSA-N 2 2 248.374 1.894 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC000135679211 490451172 /nfs/dbraw/zinc/45/11/72/490451172.db2.gz CVJLMBGBPZCBCB-SNVBAGLBSA-N 2 2 246.339 1.995 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309085679 533735403 /nfs/dbraw/zinc/73/54/03/533735403.db2.gz XCXCIPFKKZVKJK-QJPTWQEYSA-N 2 2 209.337 1.608 20 30 BDEDLP C=C(CC)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000353565883 534390992 /nfs/dbraw/zinc/39/09/92/534390992.db2.gz LEZFUPCWOHONLI-UHFFFAOYSA-N 2 2 246.358 1.873 20 30 BDEDLP C=CC[C@H](CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000341266399 534397762 /nfs/dbraw/zinc/39/77/62/534397762.db2.gz INHNIMFRAHSXON-LBPRGKRZSA-N 2 2 245.326 1.609 20 30 BDEDLP C=CCCCCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000234285442 566416448 /nfs/dbraw/zinc/41/64/48/566416448.db2.gz ZXECETLSVABJHB-ZDUSSCGKSA-N 2 2 226.364 1.653 20 30 BDEDLP C=CCCCCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000234285442 566416455 /nfs/dbraw/zinc/41/64/55/566416455.db2.gz ZXECETLSVABJHB-ZDUSSCGKSA-N 2 2 226.364 1.653 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000895203033 583623894 /nfs/dbraw/zinc/62/38/94/583623894.db2.gz VALXXLLJLTZALA-NSHDSACASA-N 2 2 245.330 1.028 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000895203033 583623896 /nfs/dbraw/zinc/62/38/96/583623896.db2.gz VALXXLLJLTZALA-NSHDSACASA-N 2 2 245.330 1.028 20 30 BDEDLP C=CCN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000794994212 583637899 /nfs/dbraw/zinc/63/78/99/583637899.db2.gz ODZZBAAMINISPY-UHFFFAOYSA-N 2 2 204.277 1.257 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000895811518 583733224 /nfs/dbraw/zinc/73/32/24/583733224.db2.gz SARZMOOPAFAULV-UHFFFAOYSA-N 2 2 233.290 1.152 20 30 BDEDLP C#CC[C@H](CCOC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000858334938 588947124 /nfs/dbraw/zinc/94/71/24/588947124.db2.gz UJIQWDTYLQVEGI-GFCCVEGCSA-N 2 2 235.331 1.247 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466831 584614582 /nfs/dbraw/zinc/61/45/82/584614582.db2.gz NJGMFHIAXXGRLB-NJMOYASZSA-N 2 2 219.332 1.551 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466830 584614817 /nfs/dbraw/zinc/61/48/17/584614817.db2.gz NJGMFHIAXXGRLB-IEECTRCBSA-N 2 2 219.332 1.551 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902469000 584615355 /nfs/dbraw/zinc/61/53/55/584615355.db2.gz NJGMFHIAXXGRLB-UJPOAAIJSA-N 2 2 219.332 1.551 20 30 BDEDLP C[C@]1(C#N)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903767379 584797898 /nfs/dbraw/zinc/79/78/98/584797898.db2.gz WEAVVPACHWHKIV-QWHCGFSZSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@]1(C#N)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903767379 584797900 /nfs/dbraw/zinc/79/79/00/584797900.db2.gz WEAVVPACHWHKIV-QWHCGFSZSA-N 2 2 221.348 1.612 20 30 BDEDLP N#Cc1ccc([C@H]2C[N@H+](CCC[NH3+])CCO2)cc1 ZINC000903824923 584804753 /nfs/dbraw/zinc/80/47/53/584804753.db2.gz VASIVUNGSCPWTM-CQSZACIVSA-N 2 2 245.326 1.280 20 30 BDEDLP N#Cc1ccc([C@H]2C[N@@H+](CCC[NH3+])CCO2)cc1 ZINC000903824923 584804754 /nfs/dbraw/zinc/80/47/54/584804754.db2.gz VASIVUNGSCPWTM-CQSZACIVSA-N 2 2 245.326 1.280 20 30 BDEDLP C[C@]1(C[N@@H+]2CCC[C@@H](C#N)C2)CCC[NH2+]C1 ZINC000904389042 584874897 /nfs/dbraw/zinc/87/48/97/584874897.db2.gz RLULDLLRGIOTNF-STQMWFEESA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@]1(C[N@H+]2CCC[C@@H](C#N)C2)CCC[NH2+]C1 ZINC000904389042 584874899 /nfs/dbraw/zinc/87/48/99/584874899.db2.gz RLULDLLRGIOTNF-STQMWFEESA-N 2 2 221.348 1.612 20 30 BDEDLP C#C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000839020858 585087734 /nfs/dbraw/zinc/08/77/34/585087734.db2.gz KAJYAHPPRKTTFZ-LSDHHAIUSA-N 2 2 248.370 1.384 20 30 BDEDLP C=CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838907 585185123 /nfs/dbraw/zinc/18/51/23/585185123.db2.gz RAKYZVUHQKXLML-UHFFFAOYSA-N 2 2 247.342 1.961 20 30 BDEDLP C#CCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000766895109 585509610 /nfs/dbraw/zinc/50/96/10/585509610.db2.gz IJAMDBQAGPRSBE-CQSZACIVSA-N 2 2 220.360 1.960 20 30 BDEDLP C#CCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000766895109 585509611 /nfs/dbraw/zinc/50/96/11/585509611.db2.gz IJAMDBQAGPRSBE-CQSZACIVSA-N 2 2 220.360 1.960 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000775571994 585680271 /nfs/dbraw/zinc/68/02/71/585680271.db2.gz NMOHNMPAVATGIB-YIYPIFLZSA-N 2 2 236.359 1.240 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000775571994 585680272 /nfs/dbraw/zinc/68/02/72/585680272.db2.gz NMOHNMPAVATGIB-YIYPIFLZSA-N 2 2 236.359 1.240 20 30 BDEDLP C#C[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000775572988 585680728 /nfs/dbraw/zinc/68/07/28/585680728.db2.gz FFZXUBHRUFUHCE-UONOGXRCSA-N 2 2 236.359 1.241 20 30 BDEDLP C#C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000775796485 585685358 /nfs/dbraw/zinc/68/53/58/585685358.db2.gz YQAKDOULMBXCNL-QWHCGFSZSA-N 2 2 233.315 1.044 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000783294667 585833456 /nfs/dbraw/zinc/83/34/56/585833456.db2.gz RYPZESAEWKWCKB-DGCLKSJQSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000783294667 585833457 /nfs/dbraw/zinc/83/34/57/585833457.db2.gz RYPZESAEWKWCKB-DGCLKSJQSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H](C#N)OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000801933889 586278669 /nfs/dbraw/zinc/27/86/69/586278669.db2.gz DADGQSFYHIOAHZ-NSHDSACASA-N 2 2 248.330 1.518 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817917355 586840781 /nfs/dbraw/zinc/84/07/81/586840781.db2.gz DWNNICAQQLMOLQ-DGCLKSJQSA-N 2 2 245.326 1.601 20 30 BDEDLP C#CCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846837917 588292442 /nfs/dbraw/zinc/29/24/42/588292442.db2.gz JCPBOPCWDQCJPS-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846837917 588292443 /nfs/dbraw/zinc/29/24/43/588292443.db2.gz JCPBOPCWDQCJPS-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCCO1 ZINC000850251005 588532018 /nfs/dbraw/zinc/53/20/18/588532018.db2.gz JJOSYECFJZGBFL-STQMWFEESA-N 2 2 245.326 1.100 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000863642076 589305943 /nfs/dbraw/zinc/30/59/43/589305943.db2.gz PYLHLJKEBFSFRH-SNVBAGLBSA-N 2 2 219.288 1.322 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000863642076 589305944 /nfs/dbraw/zinc/30/59/44/589305944.db2.gz PYLHLJKEBFSFRH-SNVBAGLBSA-N 2 2 219.288 1.322 20 30 BDEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000125012385 590113116 /nfs/dbraw/zinc/11/31/16/590113116.db2.gz HQJABMYIWBVPNJ-UWVGGRQHSA-N 2 2 247.180 1.967 20 30 BDEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000125012385 590113117 /nfs/dbraw/zinc/11/31/17/590113117.db2.gz HQJABMYIWBVPNJ-UWVGGRQHSA-N 2 2 247.180 1.967 20 30 BDEDLP C=CC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000878430673 590566334 /nfs/dbraw/zinc/56/63/34/590566334.db2.gz OIGVYUXPKROMLX-GFCCVEGCSA-N 2 2 246.358 1.872 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(CC)nc1 ZINC000883131166 591547153 /nfs/dbraw/zinc/54/71/53/591547153.db2.gz KOBDCWVBJRLOPG-UHFFFAOYSA-N 2 2 246.358 1.084 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(CC)nc1 ZINC000883131166 591547157 /nfs/dbraw/zinc/54/71/57/591547157.db2.gz KOBDCWVBJRLOPG-UHFFFAOYSA-N 2 2 246.358 1.084 20 30 BDEDLP C[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000258927026 635225096 /nfs/dbraw/zinc/22/50/96/635225096.db2.gz OAIURLVPQDBNMG-UHFFFAOYSA-N 2 2 207.321 1.364 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(C=C)c1 ZINC000328057942 633228657 /nfs/dbraw/zinc/22/86/57/633228657.db2.gz AUCDZINSVJJKMI-UHFFFAOYSA-N 2 2 232.331 1.028 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(C=C)c1 ZINC000328057942 633228659 /nfs/dbraw/zinc/22/86/59/633228659.db2.gz AUCDZINSVJJKMI-UHFFFAOYSA-N 2 2 232.331 1.028 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC000051814345 636025665 /nfs/dbraw/zinc/02/56/65/636025665.db2.gz ZYFIVRIYKYKLTC-CQSZACIVSA-N 2 2 230.355 1.968 20 30 BDEDLP CC(C)(CC#N)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925692369 634323239 /nfs/dbraw/zinc/32/32/39/634323239.db2.gz JXQHPAIKDYFMKT-SNVBAGLBSA-N 2 2 209.337 1.656 20 30 BDEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000925815708 635380818 /nfs/dbraw/zinc/38/08/18/635380818.db2.gz YSJZKQPYDYWFMH-STQMWFEESA-N 2 2 233.290 1.667 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931311323 640147787 /nfs/dbraw/zinc/14/77/87/640147787.db2.gz LZPREMUHIVXNPO-MCIONIFRSA-N 2 2 238.375 1.197 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931311323 640147788 /nfs/dbraw/zinc/14/77/88/640147788.db2.gz LZPREMUHIVXNPO-MCIONIFRSA-N 2 2 238.375 1.197 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311323 640147789 /nfs/dbraw/zinc/14/77/89/640147789.db2.gz LZPREMUHIVXNPO-MCIONIFRSA-N 2 2 238.375 1.197 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311323 640147794 /nfs/dbraw/zinc/14/77/94/640147794.db2.gz LZPREMUHIVXNPO-MCIONIFRSA-N 2 2 238.375 1.197 20 30 BDEDLP N#C[C@H]1CC[C@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518096 640245652 /nfs/dbraw/zinc/24/56/52/640245652.db2.gz HFVBAEULTMLKFR-QWRGUYRKSA-N 2 2 242.326 1.714 20 30 BDEDLP N#C[C@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518096 640245661 /nfs/dbraw/zinc/24/56/61/640245661.db2.gz HFVBAEULTMLKFR-QWRGUYRKSA-N 2 2 242.326 1.714 20 30 BDEDLP CC(C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000303706357 644839074 /nfs/dbraw/zinc/83/90/74/644839074.db2.gz LNRYQEDWLUMCQQ-CYBMUJFWSA-N 2 2 248.374 1.602 20 30 BDEDLP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CC#N)CC1 ZINC000929779132 646305343 /nfs/dbraw/zinc/30/53/43/646305343.db2.gz WANZMONWHHBJAA-CYBMUJFWSA-N 2 2 239.363 1.067 20 30 BDEDLP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CC#N)CC1 ZINC000929779132 646305348 /nfs/dbraw/zinc/30/53/48/646305348.db2.gz WANZMONWHHBJAA-CYBMUJFWSA-N 2 2 239.363 1.067 20 30 BDEDLP CCCCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925620433 646367156 /nfs/dbraw/zinc/36/71/56/646367156.db2.gz GKUUUTHPDHSAGF-ZDUSSCGKSA-N 2 2 228.380 1.925 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925625834 646371120 /nfs/dbraw/zinc/37/11/20/646371120.db2.gz LONLZYNINRPUMW-LBPRGKRZSA-N 2 2 224.348 1.453 20 30 BDEDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000925655345 646394697 /nfs/dbraw/zinc/39/46/97/646394697.db2.gz JWQRQQJNGAAEFS-MNOVXSKESA-N 2 2 207.321 1.410 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925702396 646427613 /nfs/dbraw/zinc/42/76/13/646427613.db2.gz CNDQOWNGHHWDSH-GRYCIOLGSA-N 2 2 219.332 1.553 20 30 BDEDLP N#CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926132537 646582933 /nfs/dbraw/zinc/58/29/33/646582933.db2.gz MBWGWTOXIWCRAN-OLZOCXBDSA-N 2 2 221.348 1.897 20 30 BDEDLP N#CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926132537 646582934 /nfs/dbraw/zinc/58/29/34/646582934.db2.gz MBWGWTOXIWCRAN-OLZOCXBDSA-N 2 2 221.348 1.897 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926152785 646585215 /nfs/dbraw/zinc/58/52/15/646585215.db2.gz KKRABNKFBVOSNS-MGPQQGTHSA-N 2 2 238.375 1.530 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926152785 646585218 /nfs/dbraw/zinc/58/52/18/646585218.db2.gz KKRABNKFBVOSNS-MGPQQGTHSA-N 2 2 238.375 1.530 20 30 BDEDLP C=C(Cl)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000379583484 711803946 /nfs/dbraw/zinc/80/39/46/711803946.db2.gz NEGBIINKYUHNAO-UHFFFAOYSA-N 2 2 214.740 1.955 20 30 BDEDLP C#CC[N@H+](C)CCCNCc1[nH]c(C)c(C)[nH+]1 ZINC000708970548 712203918 /nfs/dbraw/zinc/20/39/18/712203918.db2.gz XOIPGRBRQBAACZ-UHFFFAOYSA-N 2 2 234.347 1.071 20 30 BDEDLP C#CC[N@@H+](C)CCCNCc1[nH]c(C)c(C)[nH+]1 ZINC000708970548 712203919 /nfs/dbraw/zinc/20/39/19/712203919.db2.gz XOIPGRBRQBAACZ-UHFFFAOYSA-N 2 2 234.347 1.071 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000390444422 711118064 /nfs/dbraw/zinc/11/80/64/711118064.db2.gz WVQPHVWSNVRRNQ-VXGBXAGGSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000390444422 711118065 /nfs/dbraw/zinc/11/80/65/711118065.db2.gz WVQPHVWSNVRRNQ-VXGBXAGGSA-N 2 2 223.364 1.856 20 30 BDEDLP C#C[C@H](CC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000390785291 711135142 /nfs/dbraw/zinc/13/51/42/711135142.db2.gz OHQZKMCZNVOPMO-SNVBAGLBSA-N 2 2 237.372 1.706 20 30 BDEDLP C[NH+]1C[C@]2(C)C[NH+](CC3(CC#N)CC3)C[C@@]2(C)C1 ZINC000706258327 712142598 /nfs/dbraw/zinc/14/25/98/712142598.db2.gz WYWIKTMHZLULHY-ZIAGYGMSSA-N 2 2 247.386 1.954 20 30 BDEDLP C[NH+](C)C1(C)CC[NH+](CCCC#N)CC1 ZINC000709887196 712231183 /nfs/dbraw/zinc/23/11/83/712231183.db2.gz KOJMUKWDGUDNCS-UHFFFAOYSA-N 2 2 209.337 1.706 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000710007039 712239213 /nfs/dbraw/zinc/23/92/13/712239213.db2.gz ACXVVZFBABZGTK-VXGBXAGGSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000710007039 712239214 /nfs/dbraw/zinc/23/92/14/712239214.db2.gz ACXVVZFBABZGTK-VXGBXAGGSA-N 2 2 223.364 1.999 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001252602336 968861173 /nfs/dbraw/zinc/86/11/73/968861173.db2.gz QGDKLIISRNOVMH-IHRRRGAJSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001252602336 968861176 /nfs/dbraw/zinc/86/11/76/968861176.db2.gz QGDKLIISRNOVMH-IHRRRGAJSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001252602336 968861181 /nfs/dbraw/zinc/86/11/81/968861181.db2.gz QGDKLIISRNOVMH-IHRRRGAJSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001252602336 968861185 /nfs/dbraw/zinc/86/11/85/968861185.db2.gz QGDKLIISRNOVMH-IHRRRGAJSA-N 2 2 238.375 1.340 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532858 969728642 /nfs/dbraw/zinc/72/86/42/969728642.db2.gz YGXUONANRIWKCO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532858 969728645 /nfs/dbraw/zinc/72/86/45/969728645.db2.gz YGXUONANRIWKCO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532858 969728654 /nfs/dbraw/zinc/72/86/54/969728654.db2.gz YGXUONANRIWKCO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]([N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001254532858 969728659 /nfs/dbraw/zinc/72/86/59/969728659.db2.gz YGXUONANRIWKCO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC001341734864 979538478 /nfs/dbraw/zinc/53/84/78/979538478.db2.gz YUXIGSHCRKVRAE-SNVBAGLBSA-N 2 2 236.319 1.018 20 30 BDEDLP C#Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236900196 979788002 /nfs/dbraw/zinc/78/80/02/979788002.db2.gz PXTXNPHYGFJFSZ-NSHDSACASA-N 2 2 202.301 1.447 20 30 BDEDLP C#Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236900196 979788008 /nfs/dbraw/zinc/78/80/08/979788008.db2.gz PXTXNPHYGFJFSZ-NSHDSACASA-N 2 2 202.301 1.447 20 30 BDEDLP C#CCOc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236895291 979787935 /nfs/dbraw/zinc/78/79/35/979787935.db2.gz OSTPCNXRXATWCL-LBPRGKRZSA-N 2 2 232.327 1.478 20 30 BDEDLP C#CCOc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236895291 979787942 /nfs/dbraw/zinc/78/79/42/979787942.db2.gz OSTPCNXRXATWCL-LBPRGKRZSA-N 2 2 232.327 1.478 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]CC[NH+]1CCCC1 ZINC001172475924 974772744 /nfs/dbraw/zinc/77/27/44/974772744.db2.gz DWNCBPUWAYFRFX-GFCCVEGCSA-N 2 2 209.337 1.754 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001171189850 972829604 /nfs/dbraw/zinc/82/96/04/972829604.db2.gz NKQZHXFNWTYRTL-OASPWFOLSA-N 2 2 215.300 1.178 20 30 BDEDLP C[NH+](C)CCCCNc1ccc(CC#N)c[nH+]1 ZINC001161725805 964715401 /nfs/dbraw/zinc/71/54/01/964715401.db2.gz RBBRJHCIHQNMFY-UHFFFAOYSA-N 2 2 232.331 1.901 20 30 BDEDLP C#C[C@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001163161227 965273599 /nfs/dbraw/zinc/27/35/99/965273599.db2.gz VIHLDOUWMCBRPY-LBPRGKRZSA-N 2 2 244.342 1.267 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cc[nH+]cc1F ZINC000699606967 966004086 /nfs/dbraw/zinc/00/40/86/966004086.db2.gz ALKQIVQFNYHHGP-UHFFFAOYSA-N 2 2 221.279 1.010 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cc[nH+]cc1F ZINC000699606967 966004099 /nfs/dbraw/zinc/00/40/99/966004099.db2.gz ALKQIVQFNYHHGP-UHFFFAOYSA-N 2 2 221.279 1.010 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C#N)cc1O ZINC001236905192 966614707 /nfs/dbraw/zinc/61/47/07/966614707.db2.gz ZQQFPDWEKBFBNV-VIFPVBQESA-N 2 2 219.288 1.043 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001236905192 966614711 /nfs/dbraw/zinc/61/47/11/966614711.db2.gz ZQQFPDWEKBFBNV-VIFPVBQESA-N 2 2 219.288 1.043 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205116718 967365290 /nfs/dbraw/zinc/36/52/90/967365290.db2.gz HDCJBQLLPSJIJP-NSHDSACASA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205116718 967365294 /nfs/dbraw/zinc/36/52/94/967365294.db2.gz HDCJBQLLPSJIJP-NSHDSACASA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)nc1 ZINC001206183080 968114622 /nfs/dbraw/zinc/11/46/22/968114622.db2.gz FIPNIKXKIXNGIR-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)nc1 ZINC001206183080 968114626 /nfs/dbraw/zinc/11/46/26/968114626.db2.gz FIPNIKXKIXNGIR-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206195970 968123362 /nfs/dbraw/zinc/12/33/62/968123362.db2.gz AHQQOVWEMVIKKH-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206195970 968123371 /nfs/dbraw/zinc/12/33/71/968123371.db2.gz AHQQOVWEMVIKKH-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP C[NH+](C)CC(C)(C)C[NH+]1CCC(C#N)CC1 ZINC001207274374 968705088 /nfs/dbraw/zinc/70/50/88/968705088.db2.gz BKSXWTXKAVRFJJ-UHFFFAOYSA-N 2 2 223.364 1.810 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252602170 968861020 /nfs/dbraw/zinc/86/10/20/968861020.db2.gz NONWOHQBADFWLL-ZDUSSCGKSA-N 2 2 237.347 1.532 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252602170 968861023 /nfs/dbraw/zinc/86/10/23/968861023.db2.gz NONWOHQBADFWLL-ZDUSSCGKSA-N 2 2 237.347 1.532 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001169153910 969474755 /nfs/dbraw/zinc/47/47/55/969474755.db2.gz MFHHYKPZWTVXQM-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001169153910 969474766 /nfs/dbraw/zinc/47/47/66/969474766.db2.gz MFHHYKPZWTVXQM-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@](C)(C#N)C1)C2 ZINC001169153910 969474776 /nfs/dbraw/zinc/47/47/76/969474776.db2.gz MFHHYKPZWTVXQM-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@](C)(C#N)C1)C2 ZINC001169153910 969474785 /nfs/dbraw/zinc/47/47/85/969474785.db2.gz MFHHYKPZWTVXQM-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP N#CCc1ccc(NCC[C@H]2CCC[NH2+]2)[nH+]c1 ZINC001169562407 969759897 /nfs/dbraw/zinc/75/98/97/969759897.db2.gz WPSGUQUDHGROAP-GFCCVEGCSA-N 2 2 230.315 1.702 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001254673970 969780587 /nfs/dbraw/zinc/78/05/87/969780587.db2.gz RXNUAIPJBDSDBG-DGAVXFQQSA-N 2 2 233.359 1.705 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001254673970 969780590 /nfs/dbraw/zinc/78/05/90/969780590.db2.gz RXNUAIPJBDSDBG-DGAVXFQQSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001254673970 969780598 /nfs/dbraw/zinc/78/05/98/969780598.db2.gz RXNUAIPJBDSDBG-DGAVXFQQSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001254673970 969780602 /nfs/dbraw/zinc/78/06/02/969780602.db2.gz RXNUAIPJBDSDBG-DGAVXFQQSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001256208661 970708127 /nfs/dbraw/zinc/70/81/27/970708127.db2.gz LYOHCEXQFWTULW-DEZZGGKRSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001256208661 970708134 /nfs/dbraw/zinc/70/81/34/970708134.db2.gz LYOHCEXQFWTULW-DEZZGGKRSA-N 2 2 233.359 1.847 20 30 BDEDLP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246557691 972775867 /nfs/dbraw/zinc/77/58/67/972775867.db2.gz NWTNWGWMADCUPW-JHJVBQTASA-N 2 2 228.380 1.739 20 30 BDEDLP CCCCCCC[C@@H](C)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246557691 972775879 /nfs/dbraw/zinc/77/58/79/972775879.db2.gz NWTNWGWMADCUPW-JHJVBQTASA-N 2 2 228.380 1.739 20 30 BDEDLP C=CCOC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922387 973506062 /nfs/dbraw/zinc/50/60/62/973506062.db2.gz WAWZIDMXEYLKJM-BLYZHGLHSA-N 2 2 236.359 1.404 20 30 BDEDLP C=CCOC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922387 973506076 /nfs/dbraw/zinc/50/60/76/973506076.db2.gz WAWZIDMXEYLKJM-BLYZHGLHSA-N 2 2 236.359 1.404 20 30 BDEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C#N)cc1O ZINC001233383543 978593763 /nfs/dbraw/zinc/59/37/63/978593763.db2.gz LWAUKOBPWLAOQM-UHFFFAOYSA-N 2 2 247.342 1.647 20 30 BDEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001233383543 978593769 /nfs/dbraw/zinc/59/37/69/978593769.db2.gz LWAUKOBPWLAOQM-UHFFFAOYSA-N 2 2 247.342 1.647 20 30 BDEDLP N#Cc1ccc(CCC[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236016139 979302033 /nfs/dbraw/zinc/30/20/33/979302033.db2.gz OEKITDCNIHUPSN-HUUCEWRRSA-N 2 2 241.338 1.524 20 30 BDEDLP N#Cc1ccc(CCC[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236016139 979302045 /nfs/dbraw/zinc/30/20/45/979302045.db2.gz OEKITDCNIHUPSN-HUUCEWRRSA-N 2 2 241.338 1.524 20 30 BDEDLP C[C@@H]([NH3+])C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001348564474 981395703 /nfs/dbraw/zinc/39/57/03/981395703.db2.gz ZNDZOSGOHLRPAD-LLVKDONJSA-N 2 2 217.316 1.380 20 30 BDEDLP C[C@@H]([NH3+])C[N@H+](C)CCc1cccc(C#N)c1 ZINC001348564474 981395697 /nfs/dbraw/zinc/39/56/97/981395697.db2.gz ZNDZOSGOHLRPAD-LLVKDONJSA-N 2 2 217.316 1.380 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[NH2+]1 ZINC001246483667 987840556 /nfs/dbraw/zinc/84/05/56/987840556.db2.gz MUUAULZMZGTAAB-ONGXEEELSA-N 2 2 219.288 1.381 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566134 988023167 /nfs/dbraw/zinc/02/31/67/988023167.db2.gz GCKSRPKZXKJEOG-TYNCELHUSA-N 2 2 243.354 1.768 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566134 988023182 /nfs/dbraw/zinc/02/31/82/988023182.db2.gz GCKSRPKZXKJEOG-TYNCELHUSA-N 2 2 243.354 1.768 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648140 988368747 /nfs/dbraw/zinc/36/87/47/988368747.db2.gz KZSJZKZWSXIHDX-MCIONIFRSA-N 2 2 233.359 1.897 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648140 988368754 /nfs/dbraw/zinc/36/87/54/988368754.db2.gz KZSJZKZWSXIHDX-MCIONIFRSA-N 2 2 233.359 1.897 20 30 BDEDLP C=CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246781854 988460321 /nfs/dbraw/zinc/46/03/21/988460321.db2.gz YEQPCCMXETYTRN-PBWFPOADSA-N 2 2 235.375 1.073 20 30 BDEDLP C#CC[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC001323459361 988533627 /nfs/dbraw/zinc/53/36/27/988533627.db2.gz ZOYVPNOZTNVEBD-UHFFFAOYSA-N 2 2 217.316 1.618 20 30 BDEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC001323459361 988533635 /nfs/dbraw/zinc/53/36/35/988533635.db2.gz ZOYVPNOZTNVEBD-UHFFFAOYSA-N 2 2 217.316 1.618 20 30 BDEDLP N#CCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922336 988736580 /nfs/dbraw/zinc/73/65/80/988736580.db2.gz VSYXVSUVMKDOPG-POOIEITISA-N 2 2 219.332 1.362 20 30 BDEDLP N#CCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922336 988736619 /nfs/dbraw/zinc/73/66/19/988736619.db2.gz VSYXVSUVMKDOPG-POOIEITISA-N 2 2 219.332 1.362 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@H]1CCCC[N@H+]1C ZINC000268508598 398140731 /nfs/dbraw/zinc/14/07/31/398140731.db2.gz BSTZIVLSEJWHHF-CQSZACIVSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@H]1CCCC[N@@H+]1C ZINC000268508598 398140735 /nfs/dbraw/zinc/14/07/35/398140735.db2.gz BSTZIVLSEJWHHF-CQSZACIVSA-N 2 2 218.344 1.429 20 30 BDEDLP C=CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161780042 349505274 /nfs/dbraw/zinc/50/52/74/349505274.db2.gz STKAESRWRRSJFV-UHFFFAOYSA-N 2 2 205.305 1.781 20 30 BDEDLP Cn1c[nH+]c(CC[NH2+]Cc2cc(C#N)cs2)c1 ZINC000313281690 398184647 /nfs/dbraw/zinc/18/46/47/398184647.db2.gz LODRTCSJQZFTJV-UHFFFAOYSA-N 2 2 246.339 1.686 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528079 349578109 /nfs/dbraw/zinc/57/81/09/349578109.db2.gz OUNABFAVMILBDV-UHFFFAOYSA-N 2 2 223.364 1.999 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528079 349578112 /nfs/dbraw/zinc/57/81/12/349578112.db2.gz OUNABFAVMILBDV-UHFFFAOYSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H](C#N)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600144181 342689874 /nfs/dbraw/zinc/68/98/74/342689874.db2.gz JGLLKYIGMCSACB-WDEREUQCSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H](C#N)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600144181 342689876 /nfs/dbraw/zinc/68/98/76/342689876.db2.gz JGLLKYIGMCSACB-WDEREUQCSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+](C)C ZINC000602591569 349614847 /nfs/dbraw/zinc/61/48/47/349614847.db2.gz BDZFEBDLKNJRSP-UNXYVOJBSA-N 2 2 209.337 1.608 20 30 BDEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC#N)C1 ZINC000260093237 349639626 /nfs/dbraw/zinc/63/96/26/349639626.db2.gz MZFZOXRNEQLLPM-GFCCVEGCSA-N 2 2 209.337 1.610 20 30 BDEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC#N)C1 ZINC000260093237 349639629 /nfs/dbraw/zinc/63/96/29/349639629.db2.gz MZFZOXRNEQLLPM-GFCCVEGCSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000602689546 349680305 /nfs/dbraw/zinc/68/03/05/349680305.db2.gz WRKNSJNIMVWCLC-NSHDSACASA-N 2 2 220.320 1.492 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CC1([NH+](C)C)CC1 ZINC000602693605 349690851 /nfs/dbraw/zinc/69/08/51/349690851.db2.gz CIYJLDFHNFFHAI-NSHDSACASA-N 2 2 209.337 1.610 20 30 BDEDLP C[NH+](C)C1(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602694207 349691056 /nfs/dbraw/zinc/69/10/56/349691056.db2.gz HRCIJARFMARZIC-UHFFFAOYSA-N 2 2 221.348 1.753 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nccn1CC ZINC000297357259 342993913 /nfs/dbraw/zinc/99/39/13/342993913.db2.gz PNQRXRHMDHPZOB-ZDUSSCGKSA-N 2 2 248.374 1.509 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nccn1CC ZINC000297357259 342993915 /nfs/dbraw/zinc/99/39/15/342993915.db2.gz PNQRXRHMDHPZOB-ZDUSSCGKSA-N 2 2 248.374 1.509 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449523335 259351341 /nfs/dbraw/zinc/35/13/41/259351341.db2.gz XNWQYYJYVYUBSV-UNJBNNCHSA-N 2 2 236.359 1.545 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449523335 259351343 /nfs/dbraw/zinc/35/13/43/259351343.db2.gz XNWQYYJYVYUBSV-UNJBNNCHSA-N 2 2 236.359 1.545 20 30 BDEDLP C[C@@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000602864286 349795919 /nfs/dbraw/zinc/79/59/19/349795919.db2.gz RRIOCNODIXXKLX-RYUDHWBXSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000602864286 349795920 /nfs/dbraw/zinc/79/59/20/349795920.db2.gz RRIOCNODIXXKLX-RYUDHWBXSA-N 2 2 209.337 1.753 20 30 BDEDLP N#CCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000273217913 136283807 /nfs/dbraw/zinc/28/38/07/136283807.db2.gz UVFOAIFKNQXLGD-UHFFFAOYSA-N 2 2 244.342 1.944 20 30 BDEDLP CC[N@H+](CC[NH3+])Cc1ccc(C#N)c(OC)c1 ZINC000306023407 343944416 /nfs/dbraw/zinc/94/44/16/343944416.db2.gz QJJABXKPQVRWDJ-UHFFFAOYSA-N 2 2 233.315 1.347 20 30 BDEDLP CC[N@@H+](CC[NH3+])Cc1ccc(C#N)c(OC)c1 ZINC000306023407 343944418 /nfs/dbraw/zinc/94/44/18/343944418.db2.gz QJJABXKPQVRWDJ-UHFFFAOYSA-N 2 2 233.315 1.347 20 30 BDEDLP C#CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363472984 344135128 /nfs/dbraw/zinc/13/51/28/344135128.db2.gz WULWSRVKRQVGGU-UHFFFAOYSA-N 2 2 203.289 1.612 20 30 BDEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000600709633 344360774 /nfs/dbraw/zinc/36/07/74/344360774.db2.gz OQWMOEUUZITPAC-MROQNXINSA-N 2 2 221.348 1.799 20 30 BDEDLP Cc1cc(NCC[NH2+]CCC#N)nc(C(C)C)[nH+]1 ZINC000600764020 344369743 /nfs/dbraw/zinc/36/97/43/344369743.db2.gz VSDORFMNFOCLEY-UHFFFAOYSA-N 2 2 247.346 1.246 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641719260 362634231 /nfs/dbraw/zinc/63/42/31/362634231.db2.gz NVUJJCRXKPFUJV-UHFFFAOYSA-N 2 2 246.358 1.404 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000311108045 187314487 /nfs/dbraw/zinc/31/44/87/187314487.db2.gz REXBLNXVVOBQLY-CABCVRRESA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000311108045 187314489 /nfs/dbraw/zinc/31/44/89/187314489.db2.gz REXBLNXVVOBQLY-CABCVRRESA-N 2 2 241.338 1.742 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000294969023 346330645 /nfs/dbraw/zinc/33/06/45/346330645.db2.gz JTJFDYZMXMCKLP-ZDUSSCGKSA-N 2 2 246.354 1.998 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000294969023 346330647 /nfs/dbraw/zinc/33/06/47/346330647.db2.gz JTJFDYZMXMCKLP-ZDUSSCGKSA-N 2 2 246.354 1.998 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCC#N ZINC000309774140 347161207 /nfs/dbraw/zinc/16/12/07/347161207.db2.gz LFZTYAGUYCCQTM-WCQYABFASA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCC#N ZINC000309774140 347161209 /nfs/dbraw/zinc/16/12/09/347161209.db2.gz LFZTYAGUYCCQTM-WCQYABFASA-N 2 2 221.348 1.753 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250527941 362808782 /nfs/dbraw/zinc/80/87/82/362808782.db2.gz QJBDQBDFQQZUEC-QWRGUYRKSA-N 2 2 214.740 1.955 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250527941 362808785 /nfs/dbraw/zinc/80/87/85/362808785.db2.gz QJBDQBDFQQZUEC-QWRGUYRKSA-N 2 2 214.740 1.955 20 30 BDEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C1C[NH2+]C1 ZINC000591570880 347676041 /nfs/dbraw/zinc/67/60/41/347676041.db2.gz ZZUZIHYDUSIGNF-SECBINFHSA-N 2 2 233.290 1.395 20 30 BDEDLP C[NH2+]CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591576847 347676536 /nfs/dbraw/zinc/67/65/36/347676536.db2.gz IGDGYVQUEHUGEA-AWEZNQCLSA-N 2 2 229.327 1.745 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577265 347676971 /nfs/dbraw/zinc/67/69/71/347676971.db2.gz KRMWXUUVCQEZNK-CMPLNLGQSA-N 2 2 207.321 1.410 20 30 BDEDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592474309 347791258 /nfs/dbraw/zinc/79/12/58/347791258.db2.gz ZXWDNCOXQOTNDH-VXGBXAGGSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592474309 347791261 /nfs/dbraw/zinc/79/12/61/347791261.db2.gz ZXWDNCOXQOTNDH-VXGBXAGGSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592478239 347791537 /nfs/dbraw/zinc/79/15/37/347791537.db2.gz PJDBWGBDFJRTRD-GHMZBOCLSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592478239 347791539 /nfs/dbraw/zinc/79/15/39/347791539.db2.gz PJDBWGBDFJRTRD-GHMZBOCLSA-N 2 2 230.315 1.122 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595891016 348390070 /nfs/dbraw/zinc/39/00/70/348390070.db2.gz IVKBIQLWMQPYGV-OAHLLOKOSA-N 2 2 243.354 1.785 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595891016 348390072 /nfs/dbraw/zinc/39/00/72/348390072.db2.gz IVKBIQLWMQPYGV-OAHLLOKOSA-N 2 2 243.354 1.785 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000595894814 348390826 /nfs/dbraw/zinc/39/08/26/348390826.db2.gz XTAHLOQFBRPMQY-OAHLLOKOSA-N 2 2 243.354 1.914 20 30 BDEDLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)CC#N)n1C ZINC000419764407 192144747 /nfs/dbraw/zinc/14/47/47/192144747.db2.gz AYPOJKIHHQBOOH-UHFFFAOYSA-N 2 2 249.362 1.516 20 30 BDEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CC#N ZINC000308896191 349055499 /nfs/dbraw/zinc/05/54/99/349055499.db2.gz ZNWKKRPYWVUBQS-NSHDSACASA-N 2 2 203.289 1.824 20 30 BDEDLP CCC[N@@H+](CC#N)CCCc1c[nH+]cn1C ZINC000314428797 350171323 /nfs/dbraw/zinc/17/13/23/350171323.db2.gz YSLVVHDMCFPQGR-UHFFFAOYSA-N 2 2 220.320 1.588 20 30 BDEDLP CCC[N@H+](CC#N)CCCc1c[nH+]cn1C ZINC000314428797 350171325 /nfs/dbraw/zinc/17/13/25/350171325.db2.gz YSLVVHDMCFPQGR-UHFFFAOYSA-N 2 2 220.320 1.588 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)C#N ZINC000042461140 180252950 /nfs/dbraw/zinc/25/29/50/180252950.db2.gz WMAHYEBUEHLCAF-JTQLQIEISA-N 2 2 206.293 1.283 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)C#N ZINC000042461140 180252951 /nfs/dbraw/zinc/25/29/51/180252951.db2.gz WMAHYEBUEHLCAF-JTQLQIEISA-N 2 2 206.293 1.283 20 30 BDEDLP CN(C)c1cc[nH+]cc1C[NH2+]CCCC#N ZINC000273551206 351535072 /nfs/dbraw/zinc/53/50/72/351535072.db2.gz COJSYWDOSDYPQW-UHFFFAOYSA-N 2 2 218.304 1.541 20 30 BDEDLP C=CC[C@@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000639016668 353273826 /nfs/dbraw/zinc/27/38/26/353273826.db2.gz MRCYZZBCDZYLQG-ZDUSSCGKSA-N 2 2 248.330 1.066 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCCC#N)C1 ZINC000336766445 353269248 /nfs/dbraw/zinc/26/92/48/353269248.db2.gz ROAYBAVZDOCHIQ-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCCC#N)C1 ZINC000336766445 353269249 /nfs/dbraw/zinc/26/92/49/353269249.db2.gz ROAYBAVZDOCHIQ-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP C=CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000133072290 353396579 /nfs/dbraw/zinc/39/65/79/353396579.db2.gz HBWBOLYLOYQMMX-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C=CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000133072290 353396583 /nfs/dbraw/zinc/39/65/83/353396583.db2.gz HBWBOLYLOYQMMX-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000336779126 353546457 /nfs/dbraw/zinc/54/64/57/353546457.db2.gz NGHLUMAALLHOHV-OLZOCXBDSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000336779126 353546459 /nfs/dbraw/zinc/54/64/59/353546459.db2.gz NGHLUMAALLHOHV-OLZOCXBDSA-N 2 2 226.364 1.651 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336780404 353587696 /nfs/dbraw/zinc/58/76/96/353587696.db2.gz RFXOCPWGTUDBRO-STQMWFEESA-N 2 2 226.364 1.509 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336780404 353587701 /nfs/dbraw/zinc/58/77/01/353587701.db2.gz RFXOCPWGTUDBRO-STQMWFEESA-N 2 2 226.364 1.509 20 30 BDEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000289273296 353621761 /nfs/dbraw/zinc/62/17/61/353621761.db2.gz NUQOTJYCRHHUQV-HNNXBMFYSA-N 2 2 228.339 1.852 20 30 BDEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000289273296 353621763 /nfs/dbraw/zinc/62/17/63/353621763.db2.gz NUQOTJYCRHHUQV-HNNXBMFYSA-N 2 2 228.339 1.852 20 30 BDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343318595 353667577 /nfs/dbraw/zinc/66/75/77/353667577.db2.gz YJXIYXGJAHNZFB-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343318595 353667580 /nfs/dbraw/zinc/66/75/80/353667580.db2.gz YJXIYXGJAHNZFB-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343318595 353667584 /nfs/dbraw/zinc/66/75/84/353667584.db2.gz YJXIYXGJAHNZFB-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343318595 353667586 /nfs/dbraw/zinc/66/75/86/353667586.db2.gz YJXIYXGJAHNZFB-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP C=CC[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000343599585 353930054 /nfs/dbraw/zinc/93/00/54/353930054.db2.gz MVKPJVWXPVZJCQ-CQSZACIVSA-N 2 2 234.343 1.849 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000344269693 354187314 /nfs/dbraw/zinc/18/73/14/354187314.db2.gz CEVIGLVCPUXVCP-GXTWGEPZSA-N 2 2 237.391 1.177 20 30 BDEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)[N@H+](C)C1CC1 ZINC000582660652 357357045 /nfs/dbraw/zinc/35/70/45/357357045.db2.gz LDLIGPFDCCXJER-NWDGAFQWSA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)[N@@H+](C)C1CC1 ZINC000582660652 357357050 /nfs/dbraw/zinc/35/70/50/357357050.db2.gz LDLIGPFDCCXJER-NWDGAFQWSA-N 2 2 234.347 1.502 20 30 BDEDLP Cc1[nH+]ccn1CCCC[N@@H+](C)CC#N ZINC000125500260 358541258 /nfs/dbraw/zinc/54/12/58/358541258.db2.gz KISFKAUFCRQEIT-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP Cc1[nH+]ccn1CCCC[N@H+](C)CC#N ZINC000125500260 358541260 /nfs/dbraw/zinc/54/12/60/358541260.db2.gz KISFKAUFCRQEIT-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP N#CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131899492 358699259 /nfs/dbraw/zinc/69/92/59/358699259.db2.gz CRNBJMDOORWIBT-CYBMUJFWSA-N 2 2 231.299 1.838 20 30 BDEDLP N#CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131899492 358699263 /nfs/dbraw/zinc/69/92/63/358699263.db2.gz CRNBJMDOORWIBT-CYBMUJFWSA-N 2 2 231.299 1.838 20 30 BDEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423572681 192815106 /nfs/dbraw/zinc/81/51/06/192815106.db2.gz OJLUEMDIUVRUCJ-CHWSQXEVSA-N 2 2 226.364 1.699 20 30 BDEDLP CC(C)(C#N)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000612585243 359898221 /nfs/dbraw/zinc/89/82/21/359898221.db2.gz UAJLFJHZDFUFGX-UHFFFAOYSA-N 2 2 228.299 1.974 20 30 BDEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414882977 200773747 /nfs/dbraw/zinc/77/37/47/200773747.db2.gz NDVFNJQNXJCMOI-CYBMUJFWSA-N 2 2 232.327 1.703 20 30 BDEDLP Cn1cc(C[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000573961994 364954925 /nfs/dbraw/zinc/95/49/25/364954925.db2.gz MGUJYZOGKAUPCA-UHFFFAOYSA-N 2 2 234.347 1.280 20 30 BDEDLP Cn1cc(C[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000573961994 364954929 /nfs/dbraw/zinc/95/49/29/364954929.db2.gz MGUJYZOGKAUPCA-UHFFFAOYSA-N 2 2 234.347 1.280 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000336686807 365355464 /nfs/dbraw/zinc/35/54/64/365355464.db2.gz TZECWDQTUVBYMR-RYUDHWBXSA-N 2 2 218.304 1.555 20 30 BDEDLP CCC[NH2+]CC[NH2+]Cc1cccc(C#N)c1 ZINC000566299638 326030511 /nfs/dbraw/zinc/03/05/11/326030511.db2.gz FMFWKWKOWWFYLA-UHFFFAOYSA-N 2 2 217.316 1.647 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459476879 203288219 /nfs/dbraw/zinc/28/82/19/203288219.db2.gz LYQURYMZFXSCOY-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459476879 203288222 /nfs/dbraw/zinc/28/82/22/203288222.db2.gz LYQURYMZFXSCOY-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107576426 369353639 /nfs/dbraw/zinc/35/36/39/369353639.db2.gz JNZCWYXXLKMDHY-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107576426 369353641 /nfs/dbraw/zinc/35/36/41/369353641.db2.gz JNZCWYXXLKMDHY-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459659859 203330609 /nfs/dbraw/zinc/33/06/09/203330609.db2.gz ABVHQVIATZPPDF-WCQYABFASA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459659859 203330612 /nfs/dbraw/zinc/33/06/12/203330612.db2.gz ABVHQVIATZPPDF-WCQYABFASA-N 2 2 235.375 1.999 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735560 203347892 /nfs/dbraw/zinc/34/78/92/203347892.db2.gz TWSBMPQBFZQFGX-VXGBXAGGSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735560 203347895 /nfs/dbraw/zinc/34/78/95/203347895.db2.gz TWSBMPQBFZQFGX-VXGBXAGGSA-N 2 2 223.364 1.856 20 30 BDEDLP Cc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1C#N ZINC000600712584 369559557 /nfs/dbraw/zinc/55/95/57/369559557.db2.gz YRSGWIXTLQGWLM-UHFFFAOYSA-N 2 2 241.338 1.790 20 30 BDEDLP Cc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1C#N ZINC000600712584 369559559 /nfs/dbraw/zinc/55/95/59/369559559.db2.gz YRSGWIXTLQGWLM-UHFFFAOYSA-N 2 2 241.338 1.790 20 30 BDEDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000600769632 369562490 /nfs/dbraw/zinc/56/24/90/369562490.db2.gz QCIOZEIESNYMCL-GFCCVEGCSA-N 2 2 233.315 1.629 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)o1)C1CC([NH3+])C1 ZINC000600768134 369562753 /nfs/dbraw/zinc/56/27/53/369562753.db2.gz COSAZMCBQPYXNZ-UHFFFAOYSA-N 2 2 205.261 1.073 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)o1)C1CC([NH3+])C1 ZINC000600768134 369562756 /nfs/dbraw/zinc/56/27/56/369562756.db2.gz COSAZMCBQPYXNZ-UHFFFAOYSA-N 2 2 205.261 1.073 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000600769259 369563264 /nfs/dbraw/zinc/56/32/64/369563264.db2.gz KTMCFUBUZHTSOP-VXGBXAGGSA-N 2 2 219.288 1.511 20 30 BDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769689 369563607 /nfs/dbraw/zinc/56/36/07/369563607.db2.gz YBGUUKAQQNUNST-JOYOIKCWSA-N 2 2 219.288 1.320 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769689 369563608 /nfs/dbraw/zinc/56/36/08/369563608.db2.gz YBGUUKAQQNUNST-JOYOIKCWSA-N 2 2 219.288 1.320 20 30 BDEDLP C[NH2+]CCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000600768965 369563898 /nfs/dbraw/zinc/56/38/98/369563898.db2.gz IPCCNSDOTBBZOX-UHFFFAOYSA-N 2 2 207.277 1.193 20 30 BDEDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000600768965 369563900 /nfs/dbraw/zinc/56/39/00/369563900.db2.gz IPCCNSDOTBBZOX-UHFFFAOYSA-N 2 2 207.277 1.193 20 30 BDEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000600771523 369564364 /nfs/dbraw/zinc/56/43/64/369564364.db2.gz HKXATPBSNAPPJZ-GXFFZTMASA-N 2 2 215.300 1.398 20 30 BDEDLP CCCNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000162897043 169183186 /nfs/dbraw/zinc/18/31/86/169183186.db2.gz MZPZXOACNQPRLK-UHFFFAOYSA-N 2 2 220.320 1.247 20 30 BDEDLP C#CC[N@H+](CC#CC)CCC[NH+]1CCCC1 ZINC000490877397 384458532 /nfs/dbraw/zinc/45/85/32/384458532.db2.gz XWIYXYUVMYMZFS-UHFFFAOYSA-N 2 2 218.344 1.431 20 30 BDEDLP C#CC[N@@H+](CC#CC)CCC[NH+]1CCCC1 ZINC000490877397 384458536 /nfs/dbraw/zinc/45/85/36/384458536.db2.gz XWIYXYUVMYMZFS-UHFFFAOYSA-N 2 2 218.344 1.431 20 30 BDEDLP N#CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000079840974 384516628 /nfs/dbraw/zinc/51/66/28/384516628.db2.gz ZJYWRYGYNBNNLE-UHFFFAOYSA-N 2 2 218.304 1.509 20 30 BDEDLP C=CCCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000310156572 384866196 /nfs/dbraw/zinc/86/61/96/384866196.db2.gz HEXUWSAYMAYAEI-UHFFFAOYSA-N 2 2 236.363 1.932 20 30 BDEDLP CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000151343965 385102881 /nfs/dbraw/zinc/10/28/81/385102881.db2.gz HTZJOECQDBJJSW-UHFFFAOYSA-N 2 2 247.342 1.939 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000192608839 385365136 /nfs/dbraw/zinc/36/51/36/385365136.db2.gz FJILNAPDQUHVRE-CHWSQXEVSA-N 2 2 221.348 1.754 20 30 BDEDLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000159710787 385717670 /nfs/dbraw/zinc/71/76/70/385717670.db2.gz MGKXAJSDWLYBSV-UHFFFAOYSA-N 2 2 240.310 1.887 20 30 BDEDLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000159710787 385717675 /nfs/dbraw/zinc/71/76/75/385717675.db2.gz MGKXAJSDWLYBSV-UHFFFAOYSA-N 2 2 240.310 1.887 20 30 BDEDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000086727079 386489021 /nfs/dbraw/zinc/48/90/21/386489021.db2.gz HJQXMAYVMXBCRF-GXFFZTMASA-N 2 2 215.300 1.571 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000417351031 386491324 /nfs/dbraw/zinc/49/13/24/386491324.db2.gz BPLTVXNQBJQINW-WDEREUQCSA-N 2 2 207.321 1.362 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[NH2+]CCOC ZINC000423317961 387160033 /nfs/dbraw/zinc/16/00/33/387160033.db2.gz BKGYOXOPKKRZBP-NWDGAFQWSA-N 2 2 214.353 1.413 20 30 BDEDLP COCC[NH2+]CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000423331599 387175614 /nfs/dbraw/zinc/17/56/14/387175614.db2.gz MQGIDNFMVUOJJM-UHFFFAOYSA-N 2 2 239.363 1.284 20 30 BDEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423522388 387352786 /nfs/dbraw/zinc/35/27/86/387352786.db2.gz LYCHBDCEGIBUFP-NEPJUHHUSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423522389 387353241 /nfs/dbraw/zinc/35/32/41/387353241.db2.gz LYCHBDCEGIBUFP-NWDGAFQWSA-N 2 2 212.337 1.309 20 30 BDEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000582660198 387868626 /nfs/dbraw/zinc/86/86/26/387868626.db2.gz ARAGCYZFWZEXSZ-BFHYXJOUSA-N 2 2 248.374 1.892 20 30 BDEDLP C=CCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423084759 387878439 /nfs/dbraw/zinc/87/84/39/387878439.db2.gz IUABLKXNKLNZEM-QWHCGFSZSA-N 2 2 224.348 1.309 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423124015 387903735 /nfs/dbraw/zinc/90/37/35/387903735.db2.gz NWMXHJNKUQDODT-KFWWJZLASA-N 2 2 246.354 1.616 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423151598 387930483 /nfs/dbraw/zinc/93/04/83/387930483.db2.gz KDHJDWLMMGZTEF-OLZOCXBDSA-N 2 2 238.375 1.555 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423197583 387984249 /nfs/dbraw/zinc/98/42/49/387984249.db2.gz ZXPCWVIAQRIEKS-WOPDTQHZSA-N 2 2 207.321 1.410 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000453354346 388056299 /nfs/dbraw/zinc/05/62/99/388056299.db2.gz NIOSVECABQVJDB-DGAVXFQQSA-N 2 2 238.375 1.650 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000453354346 388056301 /nfs/dbraw/zinc/05/63/01/388056301.db2.gz NIOSVECABQVJDB-DGAVXFQQSA-N 2 2 238.375 1.650 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388380 388191598 /nfs/dbraw/zinc/19/15/98/388191598.db2.gz OYLSSULENPKVRJ-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388380 388191601 /nfs/dbraw/zinc/19/16/01/388191601.db2.gz OYLSSULENPKVRJ-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447176 388208507 /nfs/dbraw/zinc/20/85/07/388208507.db2.gz WOQGDMOLHFOKRN-CYDGBPFRSA-N 2 2 221.348 1.608 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447176 388208508 /nfs/dbraw/zinc/20/85/08/388208508.db2.gz WOQGDMOLHFOKRN-CYDGBPFRSA-N 2 2 221.348 1.608 20 30 BDEDLP C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000449558690 388231821 /nfs/dbraw/zinc/23/18/21/388231821.db2.gz ZHTDBXUWIMDIKF-SRVKXCTJSA-N 2 2 209.337 1.608 20 30 BDEDLP C#C[C@H](C)[NH+](C)CCC[N@@H+](C)[C@@H](C)C#C ZINC000491713272 388314120 /nfs/dbraw/zinc/31/41/20/388314120.db2.gz ZSZPVQXZUSSRFR-STQMWFEESA-N 2 2 206.333 1.284 20 30 BDEDLP C#C[C@H](C)[NH+](C)CCC[N@H+](C)[C@@H](C)C#C ZINC000491713272 388314121 /nfs/dbraw/zinc/31/41/21/388314121.db2.gz ZSZPVQXZUSSRFR-STQMWFEESA-N 2 2 206.333 1.284 20 30 BDEDLP CC#CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726858 388563693 /nfs/dbraw/zinc/56/36/93/388563693.db2.gz FNWWVRKFXCTYET-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1C#N ZINC000414822732 388666369 /nfs/dbraw/zinc/66/63/69/388666369.db2.gz FQGNJUWJSMBGIE-ZDUSSCGKSA-N 2 2 245.326 1.408 20 30 BDEDLP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423198890 388688438 /nfs/dbraw/zinc/68/84/38/388688438.db2.gz INGZOAKZQSQTRU-SNVBAGLBSA-N 2 2 235.306 1.957 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423321032 388690849 /nfs/dbraw/zinc/69/08/49/388690849.db2.gz HHEWEDLCSQSLQW-RKDXNWHRSA-N 2 2 221.279 1.695 20 30 BDEDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C#N)cc1F ZINC000423378352 388692293 /nfs/dbraw/zinc/69/22/93/388692293.db2.gz WNSCXLBNTGPSFF-DTWKUNHWSA-N 2 2 221.279 1.695 20 30 BDEDLP C=CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000337269128 135009831 /nfs/dbraw/zinc/00/98/31/135009831.db2.gz LLLPWEHRLMDXHI-UHFFFAOYSA-N 2 2 234.347 1.114 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000341871662 135243952 /nfs/dbraw/zinc/24/39/52/135243952.db2.gz CADGYCLGEKKYFP-MBNYWOFBSA-N 2 2 238.375 1.243 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000341871662 135243953 /nfs/dbraw/zinc/24/39/53/135243953.db2.gz CADGYCLGEKKYFP-MBNYWOFBSA-N 2 2 238.375 1.243 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C#N)c1 ZINC000335552549 136098358 /nfs/dbraw/zinc/09/83/58/136098358.db2.gz OMMJQARVFLOMJR-ZWNOBZJWSA-N 2 2 215.300 1.571 20 30 BDEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+](CC)CCO)C1 ZINC000651764297 411142660 /nfs/dbraw/zinc/14/26/60/411142660.db2.gz PREAMOJCACIJBB-UONOGXRCSA-N 2 2 240.391 1.635 20 30 BDEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+](CC)CCO)C1 ZINC000651764297 411142661 /nfs/dbraw/zinc/14/26/61/411142661.db2.gz PREAMOJCACIJBB-UONOGXRCSA-N 2 2 240.391 1.635 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000423173149 411236479 /nfs/dbraw/zinc/23/64/79/411236479.db2.gz XDXVXEQTCRSVLJ-GHMZBOCLSA-N 2 2 209.337 1.514 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657484237 411528622 /nfs/dbraw/zinc/52/86/22/411528622.db2.gz XLFWAMCWMIERRU-OLZOCXBDSA-N 2 2 247.342 1.653 20 30 BDEDLP C=CCC[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657484659 411528897 /nfs/dbraw/zinc/52/88/97/411528897.db2.gz HDNFMCVBRDRFCD-NSHDSACASA-N 2 2 235.331 1.246 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000657658164 411572013 /nfs/dbraw/zinc/57/20/13/411572013.db2.gz NYRLRGIXPBBSBQ-RYUDHWBXSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000657658164 411572014 /nfs/dbraw/zinc/57/20/14/411572014.db2.gz NYRLRGIXPBBSBQ-RYUDHWBXSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662252264 412050141 /nfs/dbraw/zinc/05/01/41/412050141.db2.gz NHNMESSANZFIPC-HNNXBMFYSA-N 2 2 246.354 1.663 20 30 BDEDLP C=CC[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662252264 412050144 /nfs/dbraw/zinc/05/01/44/412050144.db2.gz NHNMESSANZFIPC-HNNXBMFYSA-N 2 2 246.354 1.663 20 30 BDEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352482689 173049916 /nfs/dbraw/zinc/04/99/16/173049916.db2.gz HHAWZPKMCSXLAG-LBPRGKRZSA-N 2 2 239.338 1.798 20 30 BDEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352482689 173049919 /nfs/dbraw/zinc/04/99/19/173049919.db2.gz HHAWZPKMCSXLAG-LBPRGKRZSA-N 2 2 239.338 1.798 20 30 BDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000194538740 173196894 /nfs/dbraw/zinc/19/68/94/173196894.db2.gz MSBPETIEGSRRDM-PHIMTYICSA-N 2 2 231.299 1.145 20 30 BDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000194538740 173196896 /nfs/dbraw/zinc/19/68/96/173196896.db2.gz MSBPETIEGSRRDM-PHIMTYICSA-N 2 2 231.299 1.145 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000194538740 173196898 /nfs/dbraw/zinc/19/68/98/173196898.db2.gz MSBPETIEGSRRDM-PHIMTYICSA-N 2 2 231.299 1.145 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000194538740 173196901 /nfs/dbraw/zinc/19/69/01/173196901.db2.gz MSBPETIEGSRRDM-PHIMTYICSA-N 2 2 231.299 1.145 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675495427 487741409 /nfs/dbraw/zinc/74/14/09/487741409.db2.gz GSOOVVGDFQXRLI-UONOGXRCSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675495427 487741414 /nfs/dbraw/zinc/74/14/14/487741414.db2.gz GSOOVVGDFQXRLI-UONOGXRCSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248491084 323022098 /nfs/dbraw/zinc/02/20/98/323022098.db2.gz INSCLHOFTIEKNI-IJLUTSLNSA-N 2 2 224.348 1.138 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248491084 323022099 /nfs/dbraw/zinc/02/20/99/323022099.db2.gz INSCLHOFTIEKNI-IJLUTSLNSA-N 2 2 224.348 1.138 20 30 BDEDLP N#CCC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000562986969 323078085 /nfs/dbraw/zinc/07/80/85/323078085.db2.gz FFNLCUUDUDYGIF-UHFFFAOYSA-N 2 2 240.310 1.935 20 30 BDEDLP N#CCCOCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292698716 323152130 /nfs/dbraw/zinc/15/21/30/323152130.db2.gz DAWRVWLYCKZXIZ-UHFFFAOYSA-N 2 2 248.330 1.519 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000536069127 323195797 /nfs/dbraw/zinc/19/57/97/323195797.db2.gz UJPOXJHBXZJHNE-GFCCVEGCSA-N 2 2 232.331 1.903 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000536069127 323195798 /nfs/dbraw/zinc/19/57/98/323195798.db2.gz UJPOXJHBXZJHNE-GFCCVEGCSA-N 2 2 232.331 1.903 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000677479960 488049482 /nfs/dbraw/zinc/04/94/82/488049482.db2.gz SWXVCZCEWQOMLZ-GFCCVEGCSA-N 2 2 235.331 1.526 20 30 BDEDLP C=CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000168499231 487513027 /nfs/dbraw/zinc/51/30/27/487513027.db2.gz ZHDUTZHLLBAHOD-UHFFFAOYSA-N 2 2 208.309 1.152 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000341326745 534402704 /nfs/dbraw/zinc/40/27/04/534402704.db2.gz XVGFFEYJOUBDCR-AGIUHOORSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000341326745 534402712 /nfs/dbraw/zinc/40/27/12/534402712.db2.gz XVGFFEYJOUBDCR-AGIUHOORSA-N 2 2 238.375 1.386 20 30 BDEDLP CC(C)(C)NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262001113 534664459 /nfs/dbraw/zinc/66/44/59/534664459.db2.gz PUMXXDIWDQQLPC-UHFFFAOYSA-N 2 2 249.362 1.422 20 30 BDEDLP CC[NH+]=C(NCC[NH+]1CCC1)NC1CCCC1 ZINC000261665265 535262066 /nfs/dbraw/zinc/26/20/66/535262066.db2.gz GLMXTSNNYXZZSV-UHFFFAOYSA-N 2 2 238.379 1.190 20 30 BDEDLP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000893674898 583194405 /nfs/dbraw/zinc/19/44/05/583194405.db2.gz ANNFGMIKEYFHHB-OLMTUDMXSA-N 2 2 248.370 1.382 20 30 BDEDLP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000893674898 583194407 /nfs/dbraw/zinc/19/44/07/583194407.db2.gz ANNFGMIKEYFHHB-OLMTUDMXSA-N 2 2 248.370 1.382 20 30 BDEDLP C=C(Cl)C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894393759 583446917 /nfs/dbraw/zinc/44/69/17/583446917.db2.gz ZNOCOSGCXQBUGF-UHFFFAOYSA-N 2 2 211.696 1.814 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)o1 ZINC000894639133 583498374 /nfs/dbraw/zinc/49/83/74/583498374.db2.gz KULRNGUCLOCCKV-UHFFFAOYSA-N 2 2 236.315 1.333 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)o1 ZINC000894639133 583498373 /nfs/dbraw/zinc/49/83/73/583498373.db2.gz KULRNGUCLOCCKV-UHFFFAOYSA-N 2 2 236.315 1.333 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000896554091 583811634 /nfs/dbraw/zinc/81/16/34/583811634.db2.gz GPIQSXCXSSGIDA-IJLUTSLNSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000896554091 583811636 /nfs/dbraw/zinc/81/16/36/583811636.db2.gz GPIQSXCXSSGIDA-IJLUTSLNSA-N 2 2 209.337 1.608 20 30 BDEDLP CC(=[NH+]N[C@@H](C)c1ccncc1)c1c[nH]c(N)[nH+]1 ZINC000901253407 584415839 /nfs/dbraw/zinc/41/58/39/584415839.db2.gz AXTHFNTWZSHXRI-QMMMGPOBSA-N 2 2 244.302 1.462 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H]2CCC[C@@H]21 ZINC000903101848 584727150 /nfs/dbraw/zinc/72/71/50/584727150.db2.gz NUWYHQPPYXIQKM-AVGNSLFASA-N 2 2 235.375 1.999 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H]2CCC[C@@H]21 ZINC000903101848 584727152 /nfs/dbraw/zinc/72/71/52/584727152.db2.gz NUWYHQPPYXIQKM-AVGNSLFASA-N 2 2 235.375 1.999 20 30 BDEDLP CC[N@H+](CC[NH3+])Cc1c(C)cc(C#N)cc1C ZINC000903472613 584775908 /nfs/dbraw/zinc/77/59/08/584775908.db2.gz SXDRRTZSVZNRMY-UHFFFAOYSA-N 2 2 231.343 1.956 20 30 BDEDLP CC[N@@H+](CC[NH3+])Cc1c(C)cc(C#N)cc1C ZINC000903472613 584775909 /nfs/dbraw/zinc/77/59/09/584775909.db2.gz SXDRRTZSVZNRMY-UHFFFAOYSA-N 2 2 231.343 1.956 20 30 BDEDLP C[C@]1(C[N@@H+]2CCC[C@H](C#N)C2)CCC[NH2+]C1 ZINC000904389040 584874793 /nfs/dbraw/zinc/87/47/93/584874793.db2.gz RLULDLLRGIOTNF-OLZOCXBDSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@]1(C[N@H+]2CCC[C@H](C#N)C2)CCC[NH2+]C1 ZINC000904389040 584874794 /nfs/dbraw/zinc/87/47/94/584874794.db2.gz RLULDLLRGIOTNF-OLZOCXBDSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@@]1(C[N@@H+]2CCC[C@@H](C#N)C2)CCC[NH2+]C1 ZINC000904389041 584875014 /nfs/dbraw/zinc/87/50/14/584875014.db2.gz RLULDLLRGIOTNF-QWHCGFSZSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@@]1(C[N@H+]2CCC[C@@H](C#N)C2)CCC[NH2+]C1 ZINC000904389041 584875015 /nfs/dbraw/zinc/87/50/15/584875015.db2.gz RLULDLLRGIOTNF-QWHCGFSZSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@@]1(C[N@@H+]2CCC[C@H](C#N)C2)CCC[NH2+]C1 ZINC000904389039 584875061 /nfs/dbraw/zinc/87/50/61/584875061.db2.gz RLULDLLRGIOTNF-CHWSQXEVSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@@]1(C[N@H+]2CCC[C@H](C#N)C2)CCC[NH2+]C1 ZINC000904389039 584875062 /nfs/dbraw/zinc/87/50/62/584875062.db2.gz RLULDLLRGIOTNF-CHWSQXEVSA-N 2 2 221.348 1.612 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000775571116 585680484 /nfs/dbraw/zinc/68/04/84/585680484.db2.gz AJKIZGMBMNVAML-APIJFGDWSA-N 2 2 248.370 1.384 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000775571116 585680485 /nfs/dbraw/zinc/68/04/85/585680485.db2.gz AJKIZGMBMNVAML-APIJFGDWSA-N 2 2 248.370 1.384 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000799717495 586194393 /nfs/dbraw/zinc/19/43/93/586194393.db2.gz HPCSJRSTZKBQEX-RFGFWPKPSA-N 2 2 249.358 1.131 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000799717495 586194394 /nfs/dbraw/zinc/19/43/94/586194394.db2.gz HPCSJRSTZKBQEX-RFGFWPKPSA-N 2 2 249.358 1.131 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000801933977 586278620 /nfs/dbraw/zinc/27/86/20/586278620.db2.gz XCZQRGWCZNEUKW-VXGBXAGGSA-N 2 2 248.330 1.518 20 30 BDEDLP C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000801933977 586278623 /nfs/dbraw/zinc/27/86/23/586278623.db2.gz XCZQRGWCZNEUKW-VXGBXAGGSA-N 2 2 248.330 1.518 20 30 BDEDLP C=C(C[NH+](C)C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817620272 586814440 /nfs/dbraw/zinc/81/44/40/586814440.db2.gz HQCBMCMMPRLLFA-UHFFFAOYSA-N 2 2 247.342 1.432 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817903371 586836310 /nfs/dbraw/zinc/83/63/10/586836310.db2.gz AAWINCKTOVKSBL-QWRGUYRKSA-N 2 2 230.739 1.096 20 30 BDEDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817917356 586840732 /nfs/dbraw/zinc/84/07/32/586840732.db2.gz DWNNICAQQLMOLQ-WCQYABFASA-N 2 2 245.326 1.601 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnnn2C)CC1 ZINC000820809487 587074267 /nfs/dbraw/zinc/07/42/67/587074267.db2.gz BREYHSLTHQCAFC-NSHDSACASA-N 2 2 249.362 1.116 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000826535479 587354237 /nfs/dbraw/zinc/35/42/37/587354237.db2.gz XWALHSLGBNNSNX-GFCCVEGCSA-N 2 2 217.316 1.574 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000826535479 587354238 /nfs/dbraw/zinc/35/42/38/587354238.db2.gz XWALHSLGBNNSNX-GFCCVEGCSA-N 2 2 217.316 1.574 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1CC)[C@H]1CCCO1 ZINC000841872063 587979505 /nfs/dbraw/zinc/97/95/05/587979505.db2.gz IOWUCFYVOIWESA-QWHCGFSZSA-N 2 2 233.315 1.173 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846839517 588292293 /nfs/dbraw/zinc/29/22/93/588292293.db2.gz VSORATJBDSAJBC-NWDGAFQWSA-N 2 2 248.330 1.138 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846839517 588292294 /nfs/dbraw/zinc/29/22/94/588292294.db2.gz VSORATJBDSAJBC-NWDGAFQWSA-N 2 2 248.330 1.138 20 30 BDEDLP C#CCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846837918 588292453 /nfs/dbraw/zinc/29/24/53/588292453.db2.gz JCPBOPCWDQCJPS-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846837918 588292454 /nfs/dbraw/zinc/29/24/54/588292454.db2.gz JCPBOPCWDQCJPS-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP C=C(Cl)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848533088 588393562 /nfs/dbraw/zinc/39/35/62/588393562.db2.gz HECUATOPVLFPQP-GFCCVEGCSA-N 2 2 244.766 1.582 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000848551093 588396185 /nfs/dbraw/zinc/39/61/85/588396185.db2.gz CVPSVUXCIAMGRK-CYBMUJFWSA-N 2 2 246.358 1.263 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000848551093 588396188 /nfs/dbraw/zinc/39/61/88/588396188.db2.gz CVPSVUXCIAMGRK-CYBMUJFWSA-N 2 2 246.358 1.263 20 30 BDEDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000872141690 589882450 /nfs/dbraw/zinc/88/24/50/589882450.db2.gz ONPMOULRRNOWCR-GFCCVEGCSA-N 2 2 221.304 1.614 20 30 BDEDLP CSCCO[NH+]=Cc1c(C)cc[nH+]c1N ZINC000872371807 589923795 /nfs/dbraw/zinc/92/37/95/589923795.db2.gz SEQWHNQCURHCGS-UHFFFAOYSA-N 2 2 225.317 1.686 20 30 BDEDLP C=CC[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000878286562 590533791 /nfs/dbraw/zinc/53/37/91/590533791.db2.gz QUEBSDFZWTZBCZ-GFCCVEGCSA-N 2 2 234.347 1.507 20 30 BDEDLP CC#CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472929 591053636 /nfs/dbraw/zinc/05/36/36/591053636.db2.gz JENMVTVJPPLCKC-UHFFFAOYSA-N 2 2 206.333 1.570 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925619607 634177966 /nfs/dbraw/zinc/17/79/66/634177966.db2.gz POGZIHGCLRFABO-LBPRGKRZSA-N 2 2 224.348 1.453 20 30 BDEDLP C=CCSCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000231930251 641216351 /nfs/dbraw/zinc/21/63/51/641216351.db2.gz XOSBGZUBCOJMJK-NEPJUHHUSA-N 2 2 244.404 1.262 20 30 BDEDLP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CC#N)CC1 ZINC000929471902 646131807 /nfs/dbraw/zinc/13/18/07/646131807.db2.gz ZEBQLDBPMJFKJP-CYBMUJFWSA-N 2 2 239.363 1.066 20 30 BDEDLP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CC#N)CC1 ZINC000929471902 646131817 /nfs/dbraw/zinc/13/18/17/646131817.db2.gz ZEBQLDBPMJFKJP-CYBMUJFWSA-N 2 2 239.363 1.066 20 30 BDEDLP C=CCCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925673047 646403739 /nfs/dbraw/zinc/40/37/39/646403739.db2.gz YGJSBESXIXPODY-ZDUSSCGKSA-N 2 2 226.364 1.701 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926152783 646585867 /nfs/dbraw/zinc/58/58/67/646585867.db2.gz KKRABNKFBVOSNS-HZSPNIEDSA-N 2 2 238.375 1.530 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926152783 646585877 /nfs/dbraw/zinc/58/58/77/646585877.db2.gz KKRABNKFBVOSNS-HZSPNIEDSA-N 2 2 238.375 1.530 20 30 BDEDLP C=CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC000389229373 711073657 /nfs/dbraw/zinc/07/36/57/711073657.db2.gz ALJSGQYSMXASTC-MRVPVSSYSA-N 2 2 204.264 1.619 20 30 BDEDLP C=CC[N@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC000389229373 711073658 /nfs/dbraw/zinc/07/36/58/711073658.db2.gz ALJSGQYSMXASTC-MRVPVSSYSA-N 2 2 204.264 1.619 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840301 711153381 /nfs/dbraw/zinc/15/33/81/711153381.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840301 711153384 /nfs/dbraw/zinc/15/33/84/711153384.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392840301 711153385 /nfs/dbraw/zinc/15/33/85/711153385.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392840301 711153388 /nfs/dbraw/zinc/15/33/88/711153388.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 3 2 249.402 1.158 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396656323 711362960 /nfs/dbraw/zinc/36/29/60/711362960.db2.gz MQCGRPQHZVMYOX-WDEREUQCSA-N 2 2 214.378 1.636 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000884612486 712647757 /nfs/dbraw/zinc/64/77/57/712647757.db2.gz MNDIYYJEPTZFLJ-CYBMUJFWSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000884612486 712647758 /nfs/dbraw/zinc/64/77/58/712647758.db2.gz MNDIYYJEPTZFLJ-CYBMUJFWSA-N 2 2 229.327 1.900 20 30 BDEDLP N#CCc1cncc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167913724 959763540 /nfs/dbraw/zinc/76/35/40/959763540.db2.gz CWZJYVPQTGDVDK-UHFFFAOYSA-N 2 2 235.316 1.186 20 30 BDEDLP C=C[C@](C)(O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001252554729 968795432 /nfs/dbraw/zinc/79/54/32/968795432.db2.gz KQGHDEIMHNQTBS-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@](C)(O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001252554729 968795434 /nfs/dbraw/zinc/79/54/34/968795434.db2.gz KQGHDEIMHNQTBS-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP CC(C)(C)C#CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253408851 969163945 /nfs/dbraw/zinc/16/39/45/969163945.db2.gz JKYNBFBUGUMKML-LBPRGKRZSA-N 2 2 240.391 1.375 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C#N)CC1)C2 ZINC001169100961 969394940 /nfs/dbraw/zinc/39/49/40/969394940.db2.gz NBKIZDZIILIDAO-CNDDSTCGSA-N 2 2 219.332 1.505 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C#N)CC1)C2 ZINC001169100961 969394945 /nfs/dbraw/zinc/39/49/45/969394945.db2.gz NBKIZDZIILIDAO-CNDDSTCGSA-N 2 2 219.332 1.505 20 30 BDEDLP C[C@@H]([NH3+])CCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001170890231 972038385 /nfs/dbraw/zinc/03/83/85/972038385.db2.gz SAZAGIJBCCRUGE-SNVBAGLBSA-N 2 2 230.315 1.786 20 30 BDEDLP C#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990175 966207791 /nfs/dbraw/zinc/20/77/91/966207791.db2.gz LMDJUDSCJXKNHB-LSDHHAIUSA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990175 966207808 /nfs/dbraw/zinc/20/78/08/966207808.db2.gz LMDJUDSCJXKNHB-LSDHHAIUSA-N 2 2 226.323 1.591 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182634 968114768 /nfs/dbraw/zinc/11/47/68/968114768.db2.gz CLJUFFITEXZQTC-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182634 968114776 /nfs/dbraw/zinc/11/47/76/968114776.db2.gz CLJUFFITEXZQTC-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000829179727 968821855 /nfs/dbraw/zinc/82/18/55/968821855.db2.gz OLIPFUYFXMELGV-WDEREUQCSA-N 2 2 211.353 1.854 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169110155 969445531 /nfs/dbraw/zinc/44/55/31/969445531.db2.gz KSFDLJJKGURCIE-FIQHERPVSA-N 2 2 207.321 1.503 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110155 969445537 /nfs/dbraw/zinc/44/55/37/969445537.db2.gz KSFDLJJKGURCIE-FIQHERPVSA-N 2 2 207.321 1.503 20 30 BDEDLP N#CC[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730810 969584925 /nfs/dbraw/zinc/58/49/25/969584925.db2.gz JKLKOKQMSRVKDL-NSHDSACASA-N 2 2 230.315 1.620 20 30 BDEDLP N#CC[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730810 969584932 /nfs/dbraw/zinc/58/49/32/969584932.db2.gz JKLKOKQMSRVKDL-NSHDSACASA-N 2 2 230.315 1.620 20 30 BDEDLP Cc1[nH+]c2c(n1[C@@H]1CC[C@H](C#N)C1)CC[NH2+]CC2 ZINC001254657228 969766113 /nfs/dbraw/zinc/76/61/13/969766113.db2.gz BPMHDVYMNJXCQI-NWDGAFQWSA-N 2 2 244.342 1.745 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001171180547 972816709 /nfs/dbraw/zinc/81/67/09/972816709.db2.gz BBHFOKITFNSKPH-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001171180547 972816716 /nfs/dbraw/zinc/81/67/16/972816716.db2.gz BBHFOKITFNSKPH-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]CCCn1cc[nH+]c1 ZINC001172476970 974774413 /nfs/dbraw/zinc/77/44/13/974774413.db2.gz SUOODUMZILXRPG-GFCCVEGCSA-N 2 2 220.320 1.945 20 30 BDEDLP N#CCC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001173323888 975270288 /nfs/dbraw/zinc/27/02/88/975270288.db2.gz CNJPNKWFRVNMNN-UHFFFAOYSA-N 2 2 232.331 1.945 20 30 BDEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)Cn1cc[nH+]c1 ZINC001335943000 977376526 /nfs/dbraw/zinc/37/65/26/977376526.db2.gz UQIDKROXAHNWLD-CHWSQXEVSA-N 2 2 245.330 1.552 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2CC)CC1 ZINC001177683623 978415235 /nfs/dbraw/zinc/41/52/35/978415235.db2.gz MQEXKDGPILWZJM-UHFFFAOYSA-N 2 2 248.374 1.643 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC001236885763 979777044 /nfs/dbraw/zinc/77/70/44/979777044.db2.gz RCQRYKIWHJZGLG-NSHDSACASA-N 2 2 233.315 1.368 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001236885763 979777050 /nfs/dbraw/zinc/77/70/50/979777050.db2.gz RCQRYKIWHJZGLG-NSHDSACASA-N 2 2 233.315 1.368 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001236895689 979788518 /nfs/dbraw/zinc/78/85/18/979788518.db2.gz VYUZGHZKWWUKNP-JTQLQIEISA-N 2 2 242.326 1.819 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001236895689 979788523 /nfs/dbraw/zinc/78/85/23/979788523.db2.gz VYUZGHZKWWUKNP-JTQLQIEISA-N 2 2 242.326 1.819 20 30 BDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC001350366013 981943541 /nfs/dbraw/zinc/94/35/41/981943541.db2.gz VXVZRXVKCXQOMD-AWEZNQCLSA-N 2 2 238.375 1.033 20 30 BDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC001350366013 981943555 /nfs/dbraw/zinc/94/35/55/981943555.db2.gz VXVZRXVKCXQOMD-AWEZNQCLSA-N 2 2 238.375 1.033 20 30 BDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC001350366013 981943563 /nfs/dbraw/zinc/94/35/63/981943563.db2.gz VXVZRXVKCXQOMD-AWEZNQCLSA-N 2 2 238.375 1.033 20 30 BDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC001350366013 981943575 /nfs/dbraw/zinc/94/35/75/981943575.db2.gz VXVZRXVKCXQOMD-AWEZNQCLSA-N 2 2 238.375 1.033 20 30 BDEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+](C)C ZINC001356594757 983635686 /nfs/dbraw/zinc/63/56/86/983635686.db2.gz GAONXUSCLCTHCG-VXGBXAGGSA-N 2 2 222.336 1.217 20 30 BDEDLP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000692032323 985217108 /nfs/dbraw/zinc/21/71/08/985217108.db2.gz UUDFQXUVJSHDFJ-CYBMUJFWSA-N 2 2 247.342 1.261 20 30 BDEDLP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000692032323 985217110 /nfs/dbraw/zinc/21/71/10/985217110.db2.gz UUDFQXUVJSHDFJ-CYBMUJFWSA-N 2 2 247.342 1.261 20 30 BDEDLP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000692032324 985217148 /nfs/dbraw/zinc/21/71/48/985217148.db2.gz UUDFQXUVJSHDFJ-ZDUSSCGKSA-N 2 2 247.342 1.261 20 30 BDEDLP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000692032324 985217166 /nfs/dbraw/zinc/21/71/66/985217166.db2.gz UUDFQXUVJSHDFJ-ZDUSSCGKSA-N 2 2 247.342 1.261 20 30 BDEDLP N#C[C@]1(F)CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580040657 986435667 /nfs/dbraw/zinc/43/56/67/986435667.db2.gz MRTCRVMMPMHDIU-HBNTYKKESA-N 2 2 211.284 1.051 20 30 BDEDLP N#C[C@]1(F)CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580040657 986435686 /nfs/dbraw/zinc/43/56/86/986435686.db2.gz MRTCRVMMPMHDIU-HBNTYKKESA-N 2 2 211.284 1.051 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC001580065670 986510821 /nfs/dbraw/zinc/51/08/21/986510821.db2.gz NKOVZMDCHWZXCQ-MNOVXSKESA-N 2 2 231.299 1.193 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC001580065670 986510845 /nfs/dbraw/zinc/51/08/45/986510845.db2.gz NKOVZMDCHWZXCQ-MNOVXSKESA-N 2 2 231.299 1.193 20 30 BDEDLP C#CC(CC)(CC)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246072625 987360904 /nfs/dbraw/zinc/36/09/04/987360904.db2.gz QBZMRVFNTKEOCX-NEPJUHHUSA-N 2 2 208.349 1.909 20 30 BDEDLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[NH2+]1 ZINC001246081380 987378560 /nfs/dbraw/zinc/37/85/60/987378560.db2.gz SEEDKLAPHZSLMB-QCNOEVLYSA-N 2 2 207.321 1.409 20 30 BDEDLP C[C@H](CCCC#N)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246099432 987418184 /nfs/dbraw/zinc/41/81/84/987418184.db2.gz RAMVTKYOQNEVKK-GMTAPVOTSA-N 2 2 213.300 1.358 20 30 BDEDLP N#Cc1ccc(OCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246326216 987731909 /nfs/dbraw/zinc/73/19/09/987731909.db2.gz DDCVPNXWNYRGMZ-ZDUSSCGKSA-N 2 2 245.326 1.279 20 30 BDEDLP N#Cc1ccccc1OCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246331985 987738445 /nfs/dbraw/zinc/73/84/45/987738445.db2.gz XZHFUXIRKFGJBP-CYBMUJFWSA-N 2 2 245.326 1.279 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585280 988139384 /nfs/dbraw/zinc/13/93/84/988139384.db2.gz ZTMLEDKARNNPNA-FRRDWIJNSA-N 2 2 239.338 1.832 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585280 988139398 /nfs/dbraw/zinc/13/93/98/988139398.db2.gz ZTMLEDKARNNPNA-FRRDWIJNSA-N 2 2 239.338 1.832 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246662003 988397068 /nfs/dbraw/zinc/39/70/68/988397068.db2.gz VAHSTGQBSCHCKN-WRWGMCAJSA-N 2 2 205.305 1.102 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246662003 988397085 /nfs/dbraw/zinc/39/70/85/988397085.db2.gz VAHSTGQBSCHCKN-WRWGMCAJSA-N 2 2 205.305 1.102 20 30 BDEDLP C[C@H](CC#N)[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001575913044 993123406 /nfs/dbraw/zinc/12/34/06/993123406.db2.gz FTMWPDKFKUQSNZ-LLVKDONJSA-N 2 2 248.330 1.081 20 30 BDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1[NH3+] ZINC001576806831 993429928 /nfs/dbraw/zinc/42/99/28/993429928.db2.gz JUGLFNIAEIVIJK-GWCFXTLKSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@@H]1[NH3+] ZINC001576806831 993429938 /nfs/dbraw/zinc/42/99/38/993429938.db2.gz JUGLFNIAEIVIJK-GWCFXTLKSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314684 398170639 /nfs/dbraw/zinc/17/06/39/398170639.db2.gz ZGAFOZCDVMOABR-LLVKDONJSA-N 2 2 243.314 1.272 20 30 BDEDLP CC(C)[NH2+]C1CC[NH+](CCCC#N)CC1 ZINC000108370864 136218967 /nfs/dbraw/zinc/21/89/67/136218967.db2.gz BNAHGCKVTPGZTH-UHFFFAOYSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CCCn1cc[nH+]c1 ZINC000602505849 349582744 /nfs/dbraw/zinc/58/27/44/349582744.db2.gz VZNROONWZIXBBZ-GFCCVEGCSA-N 2 2 220.320 1.803 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000602543491 349587717 /nfs/dbraw/zinc/58/77/17/349587717.db2.gz KRZYZVQJWBQNRK-VXGBXAGGSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000602543491 349587718 /nfs/dbraw/zinc/58/77/18/349587718.db2.gz KRZYZVQJWBQNRK-VXGBXAGGSA-N 2 2 223.364 1.999 20 30 BDEDLP N#CC1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000602587204 349612557 /nfs/dbraw/zinc/61/25/57/349612557.db2.gz PRKWJBMZYNUHKP-UHFFFAOYSA-N 2 2 221.348 1.754 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000390506395 539022747 /nfs/dbraw/zinc/02/27/47/539022747.db2.gz XGTHOSONQLSAJN-WCQYABFASA-N 2 2 224.348 1.261 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000390506395 539022748 /nfs/dbraw/zinc/02/27/48/539022748.db2.gz XGTHOSONQLSAJN-WCQYABFASA-N 2 2 224.348 1.261 20 30 BDEDLP N#CC1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000602621541 349641189 /nfs/dbraw/zinc/64/11/89/349641189.db2.gz ICMDSOIMUXIVJV-BPCQOVAHSA-N 2 2 244.342 1.870 20 30 BDEDLP C=CC[C@H](CC)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000393767246 259356174 /nfs/dbraw/zinc/35/61/74/259356174.db2.gz COCILJFWVNKBAL-AVGNSLFASA-N 2 2 226.364 1.698 20 30 BDEDLP N#CCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257674 343395552 /nfs/dbraw/zinc/39/55/52/343395552.db2.gz CADGKNSRNYOYQF-GFCCVEGCSA-N 2 2 218.304 1.824 20 30 BDEDLP N#CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257674 343395555 /nfs/dbraw/zinc/39/55/55/343395555.db2.gz CADGKNSRNYOYQF-GFCCVEGCSA-N 2 2 218.304 1.824 20 30 BDEDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C#N)cc1 ZINC000261542312 136374398 /nfs/dbraw/zinc/37/43/98/136374398.db2.gz GPMUZILKLDJFBI-SNVBAGLBSA-N 2 2 203.289 1.337 20 30 BDEDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000261542312 136374399 /nfs/dbraw/zinc/37/43/99/136374399.db2.gz GPMUZILKLDJFBI-SNVBAGLBSA-N 2 2 203.289 1.337 20 30 BDEDLP N#CCC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000518360005 344210781 /nfs/dbraw/zinc/21/07/81/344210781.db2.gz NECNCCMYXYIWPO-QWHCGFSZSA-N 2 2 249.358 1.037 20 30 BDEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000600712886 344361613 /nfs/dbraw/zinc/36/16/13/344361613.db2.gz CFFCAVMDKIECCG-IRCOFANPSA-N 2 2 207.321 1.409 20 30 BDEDLP C#C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000289374841 166211092 /nfs/dbraw/zinc/21/10/92/166211092.db2.gz LXYNHXKAOWEKJA-GFCCVEGCSA-N 2 2 202.301 1.934 20 30 BDEDLP Cc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c(C#N)c[nH+]1 ZINC000425243687 192085458 /nfs/dbraw/zinc/08/54/58/192085458.db2.gz FQMSYCDSDLARNF-DGCLKSJQSA-N 2 2 244.342 1.578 20 30 BDEDLP Cc1cc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C#N)c[nH+]1 ZINC000425243687 192085459 /nfs/dbraw/zinc/08/54/59/192085459.db2.gz FQMSYCDSDLARNF-DGCLKSJQSA-N 2 2 244.342 1.578 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156084735 345123639 /nfs/dbraw/zinc/12/36/39/345123639.db2.gz NCFSERUAEWNKDS-FRRDWIJNSA-N 2 2 221.348 1.895 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156084735 345123641 /nfs/dbraw/zinc/12/36/41/345123641.db2.gz NCFSERUAEWNKDS-FRRDWIJNSA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309503278 347087961 /nfs/dbraw/zinc/08/79/61/347087961.db2.gz VGAYGLXPJUKZJN-GRYCIOLGSA-N 2 2 218.304 1.553 20 30 BDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000236188788 346204722 /nfs/dbraw/zinc/20/47/22/346204722.db2.gz LLRVJUYYKGNLLJ-AWEZNQCLSA-N 2 2 229.327 1.790 20 30 BDEDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccncc1C#N ZINC000592478504 347791507 /nfs/dbraw/zinc/79/15/07/347791507.db2.gz FOPRJFMWBFMTSE-QWRGUYRKSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccncc1C#N ZINC000592478504 347791510 /nfs/dbraw/zinc/79/15/10/347791510.db2.gz FOPRJFMWBFMTSE-QWRGUYRKSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@]1(C[N@@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]C1 ZINC000594581085 348076407 /nfs/dbraw/zinc/07/64/07/348076407.db2.gz MDYYXLSRYXNELK-OAHLLOKOSA-N 2 2 241.338 1.873 20 30 BDEDLP C[C@@]1(C[N@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]C1 ZINC000594581085 348076408 /nfs/dbraw/zinc/07/64/08/348076408.db2.gz MDYYXLSRYXNELK-OAHLLOKOSA-N 2 2 241.338 1.873 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595712098 348324001 /nfs/dbraw/zinc/32/40/01/348324001.db2.gz FTDOGDDCSDNOFQ-LLVKDONJSA-N 2 2 232.331 1.958 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595712098 348324002 /nfs/dbraw/zinc/32/40/02/348324002.db2.gz FTDOGDDCSDNOFQ-LLVKDONJSA-N 2 2 232.331 1.958 20 30 BDEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595844075 348381121 /nfs/dbraw/zinc/38/11/21/348381121.db2.gz QECLJUVFNWTXQO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595844075 348381123 /nfs/dbraw/zinc/38/11/23/348381123.db2.gz QECLJUVFNWTXQO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844075 348381125 /nfs/dbraw/zinc/38/11/25/348381125.db2.gz QECLJUVFNWTXQO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844075 348381126 /nfs/dbraw/zinc/38/11/26/348381126.db2.gz QECLJUVFNWTXQO-QWHCGFSZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH2+][C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595893590 348390915 /nfs/dbraw/zinc/39/09/15/348390915.db2.gz RKWVPNAYTIFQGH-AWEZNQCLSA-N 2 2 229.327 1.394 20 30 BDEDLP C[NH2+][C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595893590 348390916 /nfs/dbraw/zinc/39/09/16/348390916.db2.gz RKWVPNAYTIFQGH-AWEZNQCLSA-N 2 2 229.327 1.394 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000595894813 348390954 /nfs/dbraw/zinc/39/09/54/348390954.db2.gz XTAHLOQFBRPMQY-HNNXBMFYSA-N 2 2 243.354 1.914 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000596105696 348440165 /nfs/dbraw/zinc/44/01/65/348440165.db2.gz MEMYMVZAGBMOGM-JTQLQIEISA-N 2 2 233.315 1.264 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000596655895 348600005 /nfs/dbraw/zinc/60/00/05/348600005.db2.gz ZHWIQVGDBOFDJE-NXEZZACHSA-N 2 2 235.306 1.956 20 30 BDEDLP CCC(N)=[NH+]OCCCn1cc[nH+]c1C ZINC000271214437 351408823 /nfs/dbraw/zinc/40/88/23/351408823.db2.gz MRENBIIRRZCVPB-UHFFFAOYSA-N 2 2 210.281 1.280 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336745903 352735545 /nfs/dbraw/zinc/73/55/45/352735545.db2.gz BPSMMSNSYUDJJU-VXGBXAGGSA-N 2 2 212.337 1.119 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336745903 352735548 /nfs/dbraw/zinc/73/55/48/352735548.db2.gz BPSMMSNSYUDJJU-VXGBXAGGSA-N 2 2 212.337 1.119 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336745980 352736297 /nfs/dbraw/zinc/73/62/97/352736297.db2.gz AWHJNUUXJLBPCQ-WDEREUQCSA-N 2 2 209.337 1.608 20 30 BDEDLP Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000398984160 353416757 /nfs/dbraw/zinc/41/67/57/353416757.db2.gz HFHIGYQJJZCIMQ-ZWNOBZJWSA-N 2 2 244.342 1.683 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000336779125 353546435 /nfs/dbraw/zinc/54/64/35/353546435.db2.gz NGHLUMAALLHOHV-CHWSQXEVSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000336779125 353546438 /nfs/dbraw/zinc/54/64/38/353546438.db2.gz NGHLUMAALLHOHV-CHWSQXEVSA-N 2 2 226.364 1.651 20 30 BDEDLP Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000399005447 353551473 /nfs/dbraw/zinc/55/14/73/353551473.db2.gz XLWNVVDTXJYOIV-LDYMZIIASA-N 2 2 216.288 1.045 20 30 BDEDLP C#Cc1ccc(C[NH2+]CC[N@H+](CC)CCO)cc1 ZINC000289913895 353642975 /nfs/dbraw/zinc/64/29/75/353642975.db2.gz YDBQELNJZQLNOB-UHFFFAOYSA-N 2 2 246.354 1.072 20 30 BDEDLP C#Cc1ccc(C[NH2+]CC[N@@H+](CC)CCO)cc1 ZINC000289913895 353642978 /nfs/dbraw/zinc/64/29/78/353642978.db2.gz YDBQELNJZQLNOB-UHFFFAOYSA-N 2 2 246.354 1.072 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000192604322 356230987 /nfs/dbraw/zinc/23/09/87/356230987.db2.gz ZQYTXDJJDMWHKC-RYUDHWBXSA-N 2 2 218.304 1.555 20 30 BDEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759641 356878319 /nfs/dbraw/zinc/87/83/19/356878319.db2.gz UKPKCRFRSHBJSK-MELADBBJSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759641 356878321 /nfs/dbraw/zinc/87/83/21/356878321.db2.gz UKPKCRFRSHBJSK-MELADBBJSA-N 2 2 238.375 1.387 20 30 BDEDLP CC#CC[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000361954370 134208519 /nfs/dbraw/zinc/20/85/19/134208519.db2.gz DWZWMCUQKWHYKZ-UHFFFAOYSA-N 2 2 220.360 1.958 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CCC[NH2+][C@H](CC)CC#N ZINC000222315097 358158687 /nfs/dbraw/zinc/15/86/87/358158687.db2.gz XGFXUVIOYKROBP-CHWSQXEVSA-N 2 2 236.363 1.940 20 30 BDEDLP C[NH+](C)C1(C[NH2+]C[C@H](C#N)CCC#N)CCC1 ZINC000578741911 366634626 /nfs/dbraw/zinc/63/46/26/366634626.db2.gz LRKYVUDHQFGYBW-LBPRGKRZSA-N 2 2 234.347 1.504 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000435739784 201286232 /nfs/dbraw/zinc/28/62/32/201286232.db2.gz HRGWEVWTONIMOE-MQYQWHSLSA-N 2 2 238.375 1.507 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000435739784 201286235 /nfs/dbraw/zinc/28/62/35/201286235.db2.gz HRGWEVWTONIMOE-MQYQWHSLSA-N 2 2 238.375 1.507 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000576028970 365456002 /nfs/dbraw/zinc/45/60/02/365456002.db2.gz HQXCWPNPTVQLLP-CABNGKKXSA-N 2 2 249.358 1.035 20 30 BDEDLP C=CC(C)(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000385027331 367773890 /nfs/dbraw/zinc/77/38/90/367773890.db2.gz JRBYUQKOJJMUQP-UHFFFAOYSA-N 2 2 236.363 1.788 20 30 BDEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581721579 367785027 /nfs/dbraw/zinc/78/50/27/367785027.db2.gz DJJJSTQQBUAXME-KGLIPLIRSA-N 2 2 248.374 1.894 20 30 BDEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581721579 367785031 /nfs/dbraw/zinc/78/50/31/367785031.db2.gz DJJJSTQQBUAXME-KGLIPLIRSA-N 2 2 248.374 1.894 20 30 BDEDLP C=C(C)COCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386145319 367919758 /nfs/dbraw/zinc/91/97/58/367919758.db2.gz RCOLSGLWUAKOCB-OLZOCXBDSA-N 2 2 226.364 1.699 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000619672782 369521139 /nfs/dbraw/zinc/52/11/39/369521139.db2.gz ZQJQJAOFMJAOMP-MGPQQGTHSA-N 2 2 233.359 1.753 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000619672782 369521142 /nfs/dbraw/zinc/52/11/42/369521142.db2.gz ZQJQJAOFMJAOMP-MGPQQGTHSA-N 2 2 233.359 1.753 20 30 BDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619717377 369547635 /nfs/dbraw/zinc/54/76/35/369547635.db2.gz FKLHAQGAOBJTDW-VXGBXAGGSA-N 2 2 249.314 1.248 20 30 BDEDLP C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619717377 369547640 /nfs/dbraw/zinc/54/76/40/369547640.db2.gz FKLHAQGAOBJTDW-VXGBXAGGSA-N 2 2 249.314 1.248 20 30 BDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000600770382 369566129 /nfs/dbraw/zinc/56/61/29/369566129.db2.gz XWSUONVMQFQWOU-JTQLQIEISA-N 2 2 219.288 1.240 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1C ZINC000602563415 369815058 /nfs/dbraw/zinc/81/50/58/369815058.db2.gz ZQYARHGKABBECG-RYUDHWBXSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1C ZINC000602563415 369815060 /nfs/dbraw/zinc/81/50/60/369815060.db2.gz ZQYARHGKABBECG-RYUDHWBXSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1C ZINC000602563416 369815103 /nfs/dbraw/zinc/81/51/03/369815103.db2.gz ZQYARHGKABBECG-VXGBXAGGSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1C ZINC000602563416 369815107 /nfs/dbraw/zinc/81/51/07/369815107.db2.gz ZQYARHGKABBECG-VXGBXAGGSA-N 2 2 244.342 1.526 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CCCn1cc[nH+]c1 ZINC000568778611 326377270 /nfs/dbraw/zinc/37/72/70/326377270.db2.gz IAWHZIYSJSHHQF-LLVKDONJSA-N 2 2 206.293 1.555 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334526 371485094 /nfs/dbraw/zinc/48/50/94/371485094.db2.gz BSZWBHZDSPBTPB-AGIUHOORSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334526 371485097 /nfs/dbraw/zinc/48/50/97/371485097.db2.gz BSZWBHZDSPBTPB-AGIUHOORSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)COC)CC1 ZINC000167404317 206021473 /nfs/dbraw/zinc/02/14/73/206021473.db2.gz ZWPTWEDCNLXWED-GFCCVEGCSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCOC)CC1 ZINC000167404077 206143618 /nfs/dbraw/zinc/14/36/18/206143618.db2.gz HTOQKAXDIJDCPC-GFCCVEGCSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)COC)CC1 ZINC000167404761 206146035 /nfs/dbraw/zinc/14/60/35/206146035.db2.gz NUBIRQQIQZEIFW-LLVKDONJSA-N 2 2 212.337 1.261 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308675923 384000437 /nfs/dbraw/zinc/00/04/37/384000437.db2.gz WDTOLFMAPMZICT-WDEREUQCSA-N 2 2 214.378 1.445 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308675923 384000442 /nfs/dbraw/zinc/00/04/42/384000442.db2.gz WDTOLFMAPMZICT-WDEREUQCSA-N 2 2 214.378 1.445 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000135200372 384176037 /nfs/dbraw/zinc/17/60/37/384176037.db2.gz ANCIQEPXQIMOJW-GHMZBOCLSA-N 2 2 233.315 1.724 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000135200372 384176039 /nfs/dbraw/zinc/17/60/39/384176039.db2.gz ANCIQEPXQIMOJW-GHMZBOCLSA-N 2 2 233.315 1.724 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569568923 384259341 /nfs/dbraw/zinc/25/93/41/384259341.db2.gz SLSDOFFSRIOMHL-HZSPNIEDSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569568923 384259347 /nfs/dbraw/zinc/25/93/47/384259347.db2.gz SLSDOFFSRIOMHL-HZSPNIEDSA-N 2 2 246.358 1.646 20 30 BDEDLP C#CCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000270689037 533054918 /nfs/dbraw/zinc/05/49/18/533054918.db2.gz ZWKAIZSZRDJWTD-UHFFFAOYSA-N 2 2 244.342 1.239 20 30 BDEDLP Cc1[nH]c(C(=O)NCC[NH2+]C(C)(C)C)c[nH+]1 ZINC000330364215 384366503 /nfs/dbraw/zinc/36/65/03/384366503.db2.gz HIFQPHDEWUOVNK-UHFFFAOYSA-N 2 2 224.308 1.411 20 30 BDEDLP CNC(NC[C@@H](c1ccccc1)[NH+](C)C)=[NH+]C ZINC000161480015 384493668 /nfs/dbraw/zinc/49/36/68/384493668.db2.gz LOCJIOWFQCYDAY-LBPRGKRZSA-N 2 2 234.347 1.084 20 30 BDEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+]1CCCC1 ZINC000564844053 384970630 /nfs/dbraw/zinc/97/06/30/384970630.db2.gz HYHCMJMBLMQRGW-UONOGXRCSA-N 2 2 248.374 1.751 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]CC[NH2+]CCOC ZINC000414878876 385942621 /nfs/dbraw/zinc/94/26/21/385942621.db2.gz HLLSPNYVCCVIIE-LLVKDONJSA-N 2 2 200.326 1.167 20 30 BDEDLP C=CCC[C@H](C)[NH2+]CC[NH2+]CCOC ZINC000414878879 385943728 /nfs/dbraw/zinc/94/37/28/385943728.db2.gz HLLSPNYVCCVIIE-NSHDSACASA-N 2 2 200.326 1.167 20 30 BDEDLP Cc1cc(NCC[C@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000398972345 386281960 /nfs/dbraw/zinc/28/19/60/386281960.db2.gz BAGLZUXAUMKSJF-GFCCVEGCSA-N 2 2 244.342 1.485 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000417357317 386494100 /nfs/dbraw/zinc/49/41/00/386494100.db2.gz REGBSCKWEPWROS-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423315928 387157063 /nfs/dbraw/zinc/15/70/63/387157063.db2.gz XSWDHEJCLCJECI-VXGBXAGGSA-N 2 2 209.337 1.658 20 30 BDEDLP Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)c(C#N)c[nH+]1 ZINC000399475193 387140204 /nfs/dbraw/zinc/14/02/04/387140204.db2.gz XAZMODYKIFEAQX-ZDUSSCGKSA-N 2 2 244.342 1.578 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423368500 387221676 /nfs/dbraw/zinc/22/16/76/387221676.db2.gz ZXPCWVIAQRIEKS-SDDRHHMPSA-N 2 2 207.321 1.410 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C#N)CCC#N ZINC000572393342 387383503 /nfs/dbraw/zinc/38/35/03/387383503.db2.gz GEPMYTWFTLWVLZ-RYUDHWBXSA-N 2 2 231.303 1.305 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422859465 387744964 /nfs/dbraw/zinc/74/49/64/387744964.db2.gz KFCNRRIWQCCNSK-ZDUSSCGKSA-N 3 2 239.407 1.744 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422863844 387746684 /nfs/dbraw/zinc/74/66/84/387746684.db2.gz SLIAXMVWFVFGHE-OCCSQVGLSA-N 3 2 237.391 1.354 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452092484 387731855 /nfs/dbraw/zinc/73/18/55/387731855.db2.gz FBYREBJWHXNJPQ-CYBMUJFWSA-N 2 2 240.391 1.778 20 30 BDEDLP COc1cc[nH+]cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424154329 387815940 /nfs/dbraw/zinc/81/59/40/387815940.db2.gz LNOOPCRLCUTPOM-SECBINFHSA-N 2 2 248.286 1.050 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000424175627 387883896 /nfs/dbraw/zinc/88/38/96/387883896.db2.gz QDFMDSLZHOCZLS-RQJABVFESA-N 2 2 238.375 1.507 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000424175627 387883902 /nfs/dbraw/zinc/88/39/02/387883902.db2.gz QDFMDSLZHOCZLS-RQJABVFESA-N 2 2 238.375 1.507 20 30 BDEDLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424364846 387989758 /nfs/dbraw/zinc/98/97/58/387989758.db2.gz FJCYMBMUTLRTJT-WDEREUQCSA-N 2 2 209.337 1.656 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000453351063 388055810 /nfs/dbraw/zinc/05/58/10/388055810.db2.gz KMQXXFMVLMJIRP-JHJVBQTASA-N 2 2 226.364 1.243 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000453351063 388055812 /nfs/dbraw/zinc/05/58/12/388055812.db2.gz KMQXXFMVLMJIRP-JHJVBQTASA-N 2 2 226.364 1.243 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000453357530 388058736 /nfs/dbraw/zinc/05/87/36/388058736.db2.gz ONUGNLKPTVCCSX-LPWJVIDDSA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000453357530 388058739 /nfs/dbraw/zinc/05/87/39/388058739.db2.gz ONUGNLKPTVCCSX-LPWJVIDDSA-N 2 2 224.348 1.260 20 30 BDEDLP C=C(C)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528731488 388563915 /nfs/dbraw/zinc/56/39/15/388563915.db2.gz SFONFTYROKYAIF-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP CCC[NH2+]CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414876721 388665382 /nfs/dbraw/zinc/66/53/82/388665382.db2.gz WGYMRBVVAKRDAC-UHFFFAOYSA-N 2 2 247.342 1.656 20 30 BDEDLP C[NH+](C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000519832475 388667052 /nfs/dbraw/zinc/66/70/52/388667052.db2.gz IHSTYIUSHYRNBT-UHFFFAOYSA-N 2 2 229.327 1.740 20 30 BDEDLP C[C@H]([NH2+]CC[NH3+])c1ccc(C#N)cc1F ZINC000423175381 388688315 /nfs/dbraw/zinc/68/83/15/388688315.db2.gz ABFXHJHMQFQGQL-QMMMGPOBSA-N 2 2 207.252 1.307 20 30 BDEDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423241711 388690253 /nfs/dbraw/zinc/69/02/53/388690253.db2.gz VGVBKOGQISCDGM-RISCZKNCSA-N 2 2 229.327 1.961 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248714411 388690744 /nfs/dbraw/zinc/69/07/44/388690744.db2.gz BSHNZATWNJYOGR-OLZOCXBDSA-N 2 2 223.364 1.999 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248714411 388690748 /nfs/dbraw/zinc/69/07/48/388690748.db2.gz BSHNZATWNJYOGR-OLZOCXBDSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(C#N)cc1F ZINC000423306463 388691110 /nfs/dbraw/zinc/69/11/10/388691110.db2.gz TZAXLUITAUDNDD-SECBINFHSA-N 2 2 233.290 1.567 20 30 BDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C#N)c1 ZINC000423563079 388693609 /nfs/dbraw/zinc/69/36/09/388693609.db2.gz KOYQYXPQBWKRME-SMDDNHRTSA-N 2 2 245.326 1.197 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333042220 133448689 /nfs/dbraw/zinc/44/86/89/133448689.db2.gz FKUVLYCPTWABPE-IJLUTSLNSA-N 2 2 230.315 1.480 20 30 BDEDLP CC#CC[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000361954370 134208518 /nfs/dbraw/zinc/20/85/18/134208518.db2.gz DWZWMCUQKWHYKZ-UHFFFAOYSA-N 2 2 220.360 1.958 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000373115911 134233790 /nfs/dbraw/zinc/23/37/90/134233790.db2.gz PNJVJXFKWLZPEU-GFCCVEGCSA-N 2 2 232.331 1.903 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000373115911 134233791 /nfs/dbraw/zinc/23/37/91/134233791.db2.gz PNJVJXFKWLZPEU-GFCCVEGCSA-N 2 2 232.331 1.903 20 30 BDEDLP COCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248913770 135025656 /nfs/dbraw/zinc/02/56/56/135025656.db2.gz VSVGHUOXYXEPHE-OLZOCXBDSA-N 2 2 239.363 1.237 20 30 BDEDLP COCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248913770 135025658 /nfs/dbraw/zinc/02/56/58/135025658.db2.gz VSVGHUOXYXEPHE-OLZOCXBDSA-N 2 2 239.363 1.237 20 30 BDEDLP Cn1c[nH+]cc1CNC(=[NH2+])NC1CCCCCC1 ZINC000262318785 135118117 /nfs/dbraw/zinc/11/81/17/135118117.db2.gz RIKXUHOZFWEGMR-UHFFFAOYSA-N 2 2 249.362 1.547 20 30 BDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000264085684 135132612 /nfs/dbraw/zinc/13/26/12/135132612.db2.gz JPDIHFYHXJPGCV-ZDUSSCGKSA-N 2 2 246.358 1.356 20 30 BDEDLP C=CCNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269994988 135168937 /nfs/dbraw/zinc/16/89/37/135168937.db2.gz VYUQXRNZZWQPGD-UHFFFAOYSA-N 2 2 218.304 1.023 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000293580423 135376393 /nfs/dbraw/zinc/37/63/93/135376393.db2.gz AOQIDEUNOYIQKZ-OLZOCXBDSA-N 2 2 246.358 1.434 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000293580423 135376395 /nfs/dbraw/zinc/37/63/95/135376395.db2.gz AOQIDEUNOYIQKZ-OLZOCXBDSA-N 2 2 246.358 1.434 20 30 BDEDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C#N)c1 ZINC000335552548 136098551 /nfs/dbraw/zinc/09/85/51/136098551.db2.gz OMMJQARVFLOMJR-MFKMUULPSA-N 2 2 215.300 1.571 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])CC2 ZINC000335568242 136108192 /nfs/dbraw/zinc/10/81/92/136108192.db2.gz PQZNJRDJJPXWTK-LBPRGKRZSA-N 2 2 201.273 1.094 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986092 487559794 /nfs/dbraw/zinc/55/97/94/487559794.db2.gz PNAYBIOLWWWUPL-AWEZNQCLSA-N 2 2 236.359 1.196 20 30 BDEDLP CC#CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986092 487559799 /nfs/dbraw/zinc/55/97/99/487559799.db2.gz PNAYBIOLWWWUPL-AWEZNQCLSA-N 2 2 236.359 1.196 20 30 BDEDLP C=CCC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000175790863 166265091 /nfs/dbraw/zinc/26/50/91/166265091.db2.gz WKZGBVJERQFDSK-LLVKDONJSA-N 2 2 239.388 1.671 20 30 BDEDLP C=CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590222 411426106 /nfs/dbraw/zinc/42/61/06/411426106.db2.gz UABLOKURFOXVGS-LLVKDONJSA-N 2 2 205.305 1.786 20 30 BDEDLP C=CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590222 411426110 /nfs/dbraw/zinc/42/61/10/411426110.db2.gz UABLOKURFOXVGS-LLVKDONJSA-N 2 2 205.305 1.786 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc(C)c[nH]2)CC1 ZINC000657352224 411472779 /nfs/dbraw/zinc/47/27/79/411472779.db2.gz FYTYEYQZJZECPB-UHFFFAOYSA-N 2 2 248.374 1.848 20 30 BDEDLP C=CCCOCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657419154 411501484 /nfs/dbraw/zinc/50/14/84/411501484.db2.gz QTUGNUFBPTUHRM-UHFFFAOYSA-N 2 2 235.331 1.512 20 30 BDEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)COC ZINC000661238955 411739778 /nfs/dbraw/zinc/73/97/78/411739778.db2.gz ARBJUUPMPONEPT-LBPRGKRZSA-N 2 2 237.347 1.486 20 30 BDEDLP C=CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)COC ZINC000661238955 411739782 /nfs/dbraw/zinc/73/97/82/411739782.db2.gz ARBJUUPMPONEPT-LBPRGKRZSA-N 2 2 237.347 1.486 20 30 BDEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639848 176268888 /nfs/dbraw/zinc/26/88/88/176268888.db2.gz YLGSSUPXCLGATL-BXUZGUMPSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639848 176268890 /nfs/dbraw/zinc/26/88/90/176268890.db2.gz YLGSSUPXCLGATL-BXUZGUMPSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000290639848 176268893 /nfs/dbraw/zinc/26/88/93/176268893.db2.gz YLGSSUPXCLGATL-BXUZGUMPSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290639848 176268895 /nfs/dbraw/zinc/26/88/95/176268895.db2.gz YLGSSUPXCLGATL-BXUZGUMPSA-N 2 2 247.342 1.923 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675496596 487740899 /nfs/dbraw/zinc/74/08/99/487740899.db2.gz USXRZUWARJARQZ-UONOGXRCSA-N 2 2 240.391 1.776 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675496596 487740905 /nfs/dbraw/zinc/74/09/05/487740905.db2.gz USXRZUWARJARQZ-UONOGXRCSA-N 2 2 240.391 1.776 20 30 BDEDLP N#CCC[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000570710218 323068157 /nfs/dbraw/zinc/06/81/57/323068157.db2.gz NYQBKFCBESUSDL-UHFFFAOYSA-N 2 2 228.299 1.999 20 30 BDEDLP CC(C)(C[NH2+]CCC#N)C[NH+]1CCCC1 ZINC000564863944 325820013 /nfs/dbraw/zinc/82/00/13/325820013.db2.gz MZPZOAYNHWALCD-UHFFFAOYSA-N 2 2 209.337 1.612 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000678721636 488278265 /nfs/dbraw/zinc/27/82/65/488278265.db2.gz JTJGUHSNGMSBQL-GFCCVEGCSA-N 2 2 223.320 1.142 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000678721636 488278267 /nfs/dbraw/zinc/27/82/67/488278267.db2.gz JTJGUHSNGMSBQL-GFCCVEGCSA-N 2 2 223.320 1.142 20 30 BDEDLP C=CCCn1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)nn1 ZINC000655938023 491098838 /nfs/dbraw/zinc/09/88/38/491098838.db2.gz JGDDDGCNLCVIRQ-RYUDHWBXSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nn1 ZINC000655938023 491098839 /nfs/dbraw/zinc/09/88/39/491098839.db2.gz JGDDDGCNLCVIRQ-RYUDHWBXSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000377724390 534717006 /nfs/dbraw/zinc/71/70/06/534717006.db2.gz IGUNBPQITSBGQC-GFCCVEGCSA-N 2 2 212.337 1.215 20 30 BDEDLP C=CCCC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000377724390 534717011 /nfs/dbraw/zinc/71/70/11/534717011.db2.gz IGUNBPQITSBGQC-GFCCVEGCSA-N 2 2 212.337 1.215 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000360190650 536056557 /nfs/dbraw/zinc/05/65/57/536056557.db2.gz WLCSOTBFXCQOQU-GFCCVEGCSA-N 2 2 239.363 1.379 20 30 BDEDLP CC#CC[N@H+](C)Cc1c(C)cc[nH+]c1N ZINC000897169094 583888376 /nfs/dbraw/zinc/88/83/76/583888376.db2.gz MAVFRNMXVURWJY-UHFFFAOYSA-N 2 2 203.289 1.427 20 30 BDEDLP CC#CC[N@@H+](C)Cc1c(C)cc[nH+]c1N ZINC000897169094 583888378 /nfs/dbraw/zinc/88/83/78/583888378.db2.gz MAVFRNMXVURWJY-UHFFFAOYSA-N 2 2 203.289 1.427 20 30 BDEDLP C#CC[N@@H+](Cc1c[nH+]cn1CC)C(C)C ZINC000897171308 583888860 /nfs/dbraw/zinc/88/88/60/583888860.db2.gz VKLRNLQJCMQXKV-UHFFFAOYSA-N 2 2 205.305 1.747 20 30 BDEDLP C#CC[N@H+](Cc1c[nH+]cn1CC)C(C)C ZINC000897171308 583888862 /nfs/dbraw/zinc/88/88/62/583888862.db2.gz VKLRNLQJCMQXKV-UHFFFAOYSA-N 2 2 205.305 1.747 20 30 BDEDLP C#CC[C@H](CCOC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000858334569 588946659 /nfs/dbraw/zinc/94/66/59/588946659.db2.gz QBLOKWIIARNMSM-GFCCVEGCSA-N 2 2 247.342 1.347 20 30 BDEDLP C#CC[C@H](COC)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000858335007 588947105 /nfs/dbraw/zinc/94/71/05/588947105.db2.gz KPZCCLPUXLLGHH-GFCCVEGCSA-N 2 2 243.310 1.462 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cn(C)nn2)CC1 ZINC000902796385 584674239 /nfs/dbraw/zinc/67/42/39/584674239.db2.gz PFWBJDJBPAMANF-NSHDSACASA-N 2 2 249.362 1.116 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033534 584718645 /nfs/dbraw/zinc/71/86/45/584718645.db2.gz WRAFXLCGQFRRFN-QWHCGFSZSA-N 2 2 233.359 1.897 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033534 584718646 /nfs/dbraw/zinc/71/86/46/584718646.db2.gz WRAFXLCGQFRRFN-QWHCGFSZSA-N 2 2 233.359 1.897 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000903090659 584725899 /nfs/dbraw/zinc/72/58/99/584725899.db2.gz FRMVJLJTAPYTAA-KBPBESRZSA-N 2 2 238.375 1.794 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903471896 584775172 /nfs/dbraw/zinc/77/51/72/584775172.db2.gz WDACGSLEVLZGOA-AWEZNQCLSA-N 2 2 241.338 1.932 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027671 585569667 /nfs/dbraw/zinc/56/96/67/585569667.db2.gz WWOJDEUQUVLJLT-CYBMUJFWSA-N 2 2 247.342 1.249 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027671 585569668 /nfs/dbraw/zinc/56/96/68/585569668.db2.gz WWOJDEUQUVLJLT-CYBMUJFWSA-N 2 2 247.342 1.249 20 30 BDEDLP O=C1C=C([NH2+]Nc2cc[nH+]cc2)[C@H]2CCCCN12 ZINC000799485544 586179417 /nfs/dbraw/zinc/17/94/17/586179417.db2.gz RJGKNQBWOHYROT-GFCCVEGCSA-N 2 2 244.298 1.056 20 30 BDEDLP C#CCO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000812233033 586571088 /nfs/dbraw/zinc/57/10/88/586571088.db2.gz QKGLNVAZLJHOAN-UHFFFAOYSA-N 2 2 203.245 1.131 20 30 BDEDLP CC([NH2+]Nc1[nH+]ccn1C)=C1CC1(F)F ZINC000841637326 587964218 /nfs/dbraw/zinc/96/42/18/587964218.db2.gz UVSVNYFXFSBXGB-ZETCQYMHSA-N 2 2 214.219 1.863 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000847019939 588302324 /nfs/dbraw/zinc/30/23/24/588302324.db2.gz TTXSOQIJGKQMQI-GFCCVEGCSA-N 2 2 217.316 1.308 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000847019939 588302325 /nfs/dbraw/zinc/30/23/25/588302325.db2.gz TTXSOQIJGKQMQI-GFCCVEGCSA-N 2 2 217.316 1.308 20 30 BDEDLP C#C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000847022074 588302545 /nfs/dbraw/zinc/30/25/45/588302545.db2.gz RVTUPIGDSLFGKR-ZDUSSCGKSA-N 2 2 217.316 1.618 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000847022074 588302546 /nfs/dbraw/zinc/30/25/46/588302546.db2.gz RVTUPIGDSLFGKR-ZDUSSCGKSA-N 2 2 217.316 1.618 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nn1 ZINC000848599410 588401299 /nfs/dbraw/zinc/40/12/99/588401299.db2.gz JAYJKILEUCKYCW-LBPRGKRZSA-N 2 2 249.362 1.025 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nn1 ZINC000848599410 588401300 /nfs/dbraw/zinc/40/13/00/588401300.db2.gz JAYJKILEUCKYCW-LBPRGKRZSA-N 2 2 249.362 1.025 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)o1 ZINC000872146732 589885258 /nfs/dbraw/zinc/88/52/58/589885258.db2.gz WEHPDOITDJWXMO-BXUZGUMPSA-N 2 2 245.326 1.725 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)o1 ZINC000872146732 589885260 /nfs/dbraw/zinc/88/52/60/589885260.db2.gz WEHPDOITDJWXMO-BXUZGUMPSA-N 2 2 245.326 1.725 20 30 BDEDLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C#N)o1)C2 ZINC000872154709 589886226 /nfs/dbraw/zinc/88/62/26/589886226.db2.gz WVZPHADXXWCKMP-GXFFZTMASA-N 2 2 231.299 1.193 20 30 BDEDLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000872154709 589886228 /nfs/dbraw/zinc/88/62/28/589886228.db2.gz WVZPHADXXWCKMP-GXFFZTMASA-N 2 2 231.299 1.193 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880132263 590935570 /nfs/dbraw/zinc/93/55/70/590935570.db2.gz DJHAPFBGZMROCA-IHRRRGAJSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132263 590935572 /nfs/dbraw/zinc/93/55/72/590935572.db2.gz DJHAPFBGZMROCA-IHRRRGAJSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132263 590935574 /nfs/dbraw/zinc/93/55/74/590935574.db2.gz DJHAPFBGZMROCA-IHRRRGAJSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132263 590935575 /nfs/dbraw/zinc/93/55/75/590935575.db2.gz DJHAPFBGZMROCA-IHRRRGAJSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880200994 590957833 /nfs/dbraw/zinc/95/78/33/590957833.db2.gz FNJCHRMXQIRQJV-CQSZACIVSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880200994 590957836 /nfs/dbraw/zinc/95/78/36/590957836.db2.gz FNJCHRMXQIRQJV-CQSZACIVSA-N 2 2 238.375 1.796 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880204949 590958477 /nfs/dbraw/zinc/95/84/77/590958477.db2.gz MWXNCTVPPAZMMC-AWEZNQCLSA-N 2 2 236.359 1.243 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880204949 590958479 /nfs/dbraw/zinc/95/84/79/590958479.db2.gz MWXNCTVPPAZMMC-AWEZNQCLSA-N 2 2 236.359 1.243 20 30 BDEDLP C=C1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925829765 635463617 /nfs/dbraw/zinc/46/36/17/635463617.db2.gz BBOXOECVBMYWNO-CYBMUJFWSA-N 2 2 224.348 1.311 20 30 BDEDLP C=CC[C@@H]1CC[N@H+]1CCn1cc[nH+]c1C ZINC000934458722 631844630 /nfs/dbraw/zinc/84/46/30/631844630.db2.gz CRPKQTUOUADBMR-GFCCVEGCSA-N 2 2 205.305 1.842 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+]1CCn1cc[nH+]c1C ZINC000934458722 631844635 /nfs/dbraw/zinc/84/46/35/631844635.db2.gz CRPKQTUOUADBMR-GFCCVEGCSA-N 2 2 205.305 1.842 20 30 BDEDLP C#C[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000934515096 631896853 /nfs/dbraw/zinc/89/68/53/631896853.db2.gz PJKARDSRCQNVKM-ZDUSSCGKSA-N 2 2 217.316 1.761 20 30 BDEDLP C#C[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000934515096 631896855 /nfs/dbraw/zinc/89/68/55/631896855.db2.gz PJKARDSRCQNVKM-ZDUSSCGKSA-N 2 2 217.316 1.761 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1c(C)noc1C ZINC000926488841 632128952 /nfs/dbraw/zinc/12/89/52/632128952.db2.gz AAEMBLAKDHERJY-LLVKDONJSA-N 2 2 249.358 1.897 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1c(C)noc1C ZINC000926488841 632128959 /nfs/dbraw/zinc/12/89/59/632128959.db2.gz AAEMBLAKDHERJY-LLVKDONJSA-N 2 2 249.358 1.897 20 30 BDEDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235530519 632778418 /nfs/dbraw/zinc/77/84/18/632778418.db2.gz CXKGNNBBRVMBRQ-FZMZJTMJSA-N 2 2 229.327 1.961 20 30 BDEDLP C#CCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309792614 633746091 /nfs/dbraw/zinc/74/60/91/633746091.db2.gz PNEZAHQYUCOCBG-TZMCWYRMSA-N 2 2 220.360 1.862 20 30 BDEDLP C#CCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309792614 633746086 /nfs/dbraw/zinc/74/60/86/633746086.db2.gz PNEZAHQYUCOCBG-TZMCWYRMSA-N 2 2 220.360 1.862 20 30 BDEDLP C#CCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309792247 634008895 /nfs/dbraw/zinc/00/88/95/634008895.db2.gz PNEZAHQYUCOCBG-GXTWGEPZSA-N 2 2 220.360 1.862 20 30 BDEDLP C#CCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309792247 634008901 /nfs/dbraw/zinc/00/89/01/634008901.db2.gz PNEZAHQYUCOCBG-GXTWGEPZSA-N 2 2 220.360 1.862 20 30 BDEDLP C=CCOCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314549 640152687 /nfs/dbraw/zinc/15/26/87/640152687.db2.gz PFHUWSYUSXLCMV-KBPBESRZSA-N 2 2 238.375 1.463 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CC[C@H](C#N)C1 ZINC000931721745 640338043 /nfs/dbraw/zinc/33/80/43/640338043.db2.gz WJXBXFKZOATBES-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CC[C@H](C#N)C1 ZINC000931721745 640338047 /nfs/dbraw/zinc/33/80/47/640338047.db2.gz WJXBXFKZOATBES-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC000931721745 640338051 /nfs/dbraw/zinc/33/80/51/640338051.db2.gz WJXBXFKZOATBES-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC000931721745 640338055 /nfs/dbraw/zinc/33/80/55/640338055.db2.gz WJXBXFKZOATBES-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP C#CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000932466358 640538510 /nfs/dbraw/zinc/53/85/10/640538510.db2.gz ZGRBJTMJKYIXKB-CYBMUJFWSA-N 2 2 238.375 1.177 20 30 BDEDLP C#CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000932466358 640538518 /nfs/dbraw/zinc/53/85/18/640538518.db2.gz ZGRBJTMJKYIXKB-CYBMUJFWSA-N 2 2 238.375 1.177 20 30 BDEDLP Cc1ccc([C@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1 ZINC000170908822 640936880 /nfs/dbraw/zinc/93/68/80/640936880.db2.gz OVRFQAAMJINAPF-ZDUSSCGKSA-N 2 2 248.374 1.474 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515036 644478342 /nfs/dbraw/zinc/47/83/42/644478342.db2.gz BAWQTPYTJBUXCG-LSDHHAIUSA-N 2 2 241.338 1.600 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515036 644478346 /nfs/dbraw/zinc/47/83/46/644478346.db2.gz BAWQTPYTJBUXCG-LSDHHAIUSA-N 2 2 241.338 1.600 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925629337 646374803 /nfs/dbraw/zinc/37/48/03/646374803.db2.gz JOJPFSVBDRKYOI-VNHYZAJKSA-N 2 2 248.370 1.849 20 30 BDEDLP C=CCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925702274 646425109 /nfs/dbraw/zinc/42/51/09/646425109.db2.gz MPNSCRMFRIAJFR-GFCCVEGCSA-N 2 2 212.337 1.311 20 30 BDEDLP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C1C[NH2+]C1 ZINC000925811182 646490497 /nfs/dbraw/zinc/49/04/97/646490497.db2.gz CNNARIMFAQFHQK-SECBINFHSA-N 2 2 233.290 1.395 20 30 BDEDLP C=CCOCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926116703 646578257 /nfs/dbraw/zinc/57/82/57/646578257.db2.gz SWPQLFCIXLLFQF-UONOGXRCSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCOCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926116703 646578264 /nfs/dbraw/zinc/57/82/64/646578264.db2.gz SWPQLFCIXLLFQF-UONOGXRCSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926152786 646585482 /nfs/dbraw/zinc/58/54/82/646585482.db2.gz KKRABNKFBVOSNS-RDBSUJKOSA-N 2 2 238.375 1.530 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926152786 646585485 /nfs/dbraw/zinc/58/54/85/646585485.db2.gz KKRABNKFBVOSNS-RDBSUJKOSA-N 2 2 238.375 1.530 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000381789147 710715964 /nfs/dbraw/zinc/71/59/64/710715964.db2.gz ZQAPVEYHICNOSA-NWDGAFQWSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000381789147 710715969 /nfs/dbraw/zinc/71/59/69/710715969.db2.gz ZQAPVEYHICNOSA-NWDGAFQWSA-N 2 2 221.348 1.610 20 30 BDEDLP C=C[C@@](C)(O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252558616 968804575 /nfs/dbraw/zinc/80/45/75/968804575.db2.gz YGUVSNHIHWTGCW-CQSZACIVSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@@](C)(O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252558616 968804581 /nfs/dbraw/zinc/80/45/81/968804581.db2.gz YGUVSNHIHWTGCW-CQSZACIVSA-N 2 2 240.391 1.728 20 30 BDEDLP C#CC[NH+](CC#C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532535 969730540 /nfs/dbraw/zinc/73/05/40/969730540.db2.gz UPWIUXRYUIKETP-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](CC#C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532535 969730548 /nfs/dbraw/zinc/73/05/48/969730548.db2.gz UPWIUXRYUIKETP-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246099435 972158399 /nfs/dbraw/zinc/15/83/99/972158399.db2.gz RAMVTKYOQNEVKK-VWYCJHECSA-N 2 2 213.300 1.358 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CC[NH2+]1 ZINC001246188360 972212908 /nfs/dbraw/zinc/21/29/08/972212908.db2.gz WIOOIYSPHQJWQL-SMDDNHRTSA-N 2 2 229.327 1.788 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924984102 962811755 /nfs/dbraw/zinc/81/17/55/962811755.db2.gz NMFUPAYNTWSDBN-GFCCVEGCSA-N 2 2 246.358 1.778 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154990412 962933936 /nfs/dbraw/zinc/93/39/36/962933936.db2.gz XJHOWFKRZAJDJF-NWDGAFQWSA-N 2 2 230.315 1.829 20 30 BDEDLP C#Cc1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204792225 963595982 /nfs/dbraw/zinc/59/59/82/963595982.db2.gz WARRNFVZGQMKLX-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204792225 963595988 /nfs/dbraw/zinc/59/59/88/963595988.db2.gz WARRNFVZGQMKLX-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205116717 967366693 /nfs/dbraw/zinc/36/66/93/967366693.db2.gz HDCJBQLLPSJIJP-LLVKDONJSA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205116717 967366705 /nfs/dbraw/zinc/36/67/05/967366705.db2.gz HDCJBQLLPSJIJP-LLVKDONJSA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)nc1 ZINC001206183079 968112987 /nfs/dbraw/zinc/11/29/87/968112987.db2.gz FIPNIKXKIXNGIR-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)nc1 ZINC001206183079 968112995 /nfs/dbraw/zinc/11/29/95/968112995.db2.gz FIPNIKXKIXNGIR-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182633 968113474 /nfs/dbraw/zinc/11/34/74/968113474.db2.gz CLJUFFITEXZQTC-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182633 968113487 /nfs/dbraw/zinc/11/34/87/968113487.db2.gz CLJUFFITEXZQTC-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206183082 968114877 /nfs/dbraw/zinc/11/48/77/968114877.db2.gz FIPNIKXKIXNGIR-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206183082 968114883 /nfs/dbraw/zinc/11/48/83/968114883.db2.gz FIPNIKXKIXNGIR-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP Cc1[nH+]c2c(n1[C@H]1CC[C@@H](C#N)C1)CC[NH2+]CC2 ZINC001254657227 969768748 /nfs/dbraw/zinc/76/87/48/969768748.db2.gz BPMHDVYMNJXCQI-NEPJUHHUSA-N 2 2 244.342 1.745 20 30 BDEDLP C=CCOC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922386 973508294 /nfs/dbraw/zinc/50/82/94/973508294.db2.gz WAWZIDMXEYLKJM-ABXWRUBCSA-N 2 2 236.359 1.404 20 30 BDEDLP C=CCOC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922386 973508301 /nfs/dbraw/zinc/50/83/01/973508301.db2.gz WAWZIDMXEYLKJM-ABXWRUBCSA-N 2 2 236.359 1.404 20 30 BDEDLP C=CCO[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC001329742951 973902106 /nfs/dbraw/zinc/90/21/06/973902106.db2.gz LRJFXUGCTFBHBF-OTTFEQOBSA-N 2 2 222.332 1.015 20 30 BDEDLP C=CCO[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC001329742951 973902117 /nfs/dbraw/zinc/90/21/17/973902117.db2.gz LRJFXUGCTFBHBF-OTTFEQOBSA-N 2 2 222.332 1.015 20 30 BDEDLP N#Cc1cncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206187019 975013079 /nfs/dbraw/zinc/01/30/79/975013079.db2.gz SOUJTWPTWLOBKS-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206187019 975013083 /nfs/dbraw/zinc/01/30/83/975013083.db2.gz SOUJTWPTWLOBKS-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP C#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235989204 979271425 /nfs/dbraw/zinc/27/14/25/979271425.db2.gz IFZZIMVQBARWKT-HUUCEWRRSA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235989204 979271438 /nfs/dbraw/zinc/27/14/38/979271438.db2.gz IFZZIMVQBARWKT-HUUCEWRRSA-N 2 2 226.323 1.591 20 30 BDEDLP C=CCc1cccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236025076 979319952 /nfs/dbraw/zinc/31/99/52/979319952.db2.gz VMTCXHNAKOYBBY-UKRRQHHQSA-N 2 2 244.338 1.654 20 30 BDEDLP C=CCc1cccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236025076 979319970 /nfs/dbraw/zinc/31/99/70/979319970.db2.gz VMTCXHNAKOYBBY-UKRRQHHQSA-N 2 2 244.338 1.654 20 30 BDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC001350366015 981941147 /nfs/dbraw/zinc/94/11/47/981941147.db2.gz VXVZRXVKCXQOMD-CQSZACIVSA-N 2 2 238.375 1.033 20 30 BDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC001350366015 981941164 /nfs/dbraw/zinc/94/11/64/981941164.db2.gz VXVZRXVKCXQOMD-CQSZACIVSA-N 2 2 238.375 1.033 20 30 BDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC001350366015 981941172 /nfs/dbraw/zinc/94/11/72/981941172.db2.gz VXVZRXVKCXQOMD-CQSZACIVSA-N 2 2 238.375 1.033 20 30 BDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC001350366015 981941188 /nfs/dbraw/zinc/94/11/88/981941188.db2.gz VXVZRXVKCXQOMD-CQSZACIVSA-N 2 2 238.375 1.033 20 30 BDEDLP Cn1ncc(C[NH3+])c1C[NH2+]CC1(C#N)CCCC1 ZINC001580002014 986396966 /nfs/dbraw/zinc/39/69/66/986396966.db2.gz AHBGURNCHBGBEP-UHFFFAOYSA-N 2 2 247.346 1.052 20 30 BDEDLP C=CCC[C@H](O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246017810 987299988 /nfs/dbraw/zinc/29/99/88/987299988.db2.gz CLXFBLBSYJMCJH-UONOGXRCSA-N 2 2 234.343 1.603 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098109 987411988 /nfs/dbraw/zinc/41/19/88/987411988.db2.gz JFAVXJHVCBLNMB-QJPTWQEYSA-N 2 2 209.337 1.514 20 30 BDEDLP N#CCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246104192 987428714 /nfs/dbraw/zinc/42/87/14/987428714.db2.gz ZZTYEEIUPGRVFW-FIYWTHMPSA-N 2 2 239.338 1.748 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246109737 987441656 /nfs/dbraw/zinc/44/16/56/987441656.db2.gz GSXLRODKWZOXKV-SDDRHHMPSA-N 2 2 209.337 1.514 20 30 BDEDLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[NH2+]C1 ZINC001246116229 987457999 /nfs/dbraw/zinc/45/79/99/987457999.db2.gz WFOFQZYNIAEHNV-FDYHWXHSSA-N 2 2 221.348 1.656 20 30 BDEDLP N#Cc1cccc(OCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246324190 987731051 /nfs/dbraw/zinc/73/10/51/987731051.db2.gz GTOGSYKJCNGPFQ-ZDUSSCGKSA-N 2 2 245.326 1.279 20 30 BDEDLP CCCCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246846293 988555469 /nfs/dbraw/zinc/55/54/69/988555469.db2.gz NWTNWGWMADCUPW-FRRDWIJNSA-N 2 2 228.380 1.739 20 30 BDEDLP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246846293 988555478 /nfs/dbraw/zinc/55/54/78/988555478.db2.gz NWTNWGWMADCUPW-FRRDWIJNSA-N 2 2 228.380 1.739 20 30 BDEDLP N#CCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922334 988742410 /nfs/dbraw/zinc/74/24/10/988742410.db2.gz VSYXVSUVMKDOPG-MVKMKZAISA-N 2 2 219.332 1.362 20 30 BDEDLP N#CCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922334 988742420 /nfs/dbraw/zinc/74/24/20/988742420.db2.gz VSYXVSUVMKDOPG-MVKMKZAISA-N 2 2 219.332 1.362 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001324487504 988855458 /nfs/dbraw/zinc/85/54/58/988855458.db2.gz XEGQKOCEMATGJO-AWEZNQCLSA-N 2 2 240.391 1.730 20 30 BDEDLP CC1(C[NH3+])C[NH+](Cc2ccc(C#N)cc2O)C1 ZINC001206729793 991108720 /nfs/dbraw/zinc/10/87/20/991108720.db2.gz KPEZTSRTULMKTF-UHFFFAOYSA-N 2 2 231.299 1.044 20 30 BDEDLP C=CCn1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC001139766327 991359717 /nfs/dbraw/zinc/35/97/17/991359717.db2.gz OSUWIHDEOANTDL-UHFFFAOYSA-N 2 2 248.374 1.595 20 30 BDEDLP C=CCn1cc(C[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC001139766327 991359724 /nfs/dbraw/zinc/35/97/24/991359724.db2.gz OSUWIHDEOANTDL-UHFFFAOYSA-N 2 2 248.374 1.595 20 30 BDEDLP C=CCO[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001262012277 992598951 /nfs/dbraw/zinc/59/89/51/992598951.db2.gz QAQGXYBXDQQARP-ZDUSSCGKSA-N 2 2 235.331 1.240 20 30 BDEDLP C=CCO[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC001262012277 992598960 /nfs/dbraw/zinc/59/89/60/992598960.db2.gz QAQGXYBXDQQARP-ZDUSSCGKSA-N 2 2 235.331 1.240 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CC[NH3+] ZINC001574126996 992810905 /nfs/dbraw/zinc/81/09/05/992810905.db2.gz JIWYBTNJPJELPQ-UHFFFAOYSA-N 2 2 203.289 1.223 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001576381366 993284437 /nfs/dbraw/zinc/28/44/37/993284437.db2.gz AEJGPSOSSYQVPM-GHMZBOCLSA-N 2 2 237.347 1.022 20 30 BDEDLP Cn1cc[nH+]c1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000390799115 993806060 /nfs/dbraw/zinc/80/60/60/993806060.db2.gz VZXLPJYBNBVYPE-QWRGUYRKSA-N 2 2 218.304 1.244 20 30 BDEDLP C=CCn1cc(C[NH2+]C2CC[NH+](CC)CC2)nn1 ZINC000424290934 398180560 /nfs/dbraw/zinc/18/05/60/398180560.db2.gz CQTGVPQOZBCIIH-UHFFFAOYSA-N 2 2 249.362 1.038 20 30 BDEDLP C#CC[N@@H+](C)[C@H]1CCC[NH+](CC#C)CC1 ZINC000156965086 323007112 /nfs/dbraw/zinc/00/71/12/323007112.db2.gz HABVCXQNSXGHCF-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[N@H+](C)[C@H]1CCC[NH+](CC#C)CC1 ZINC000156965086 323007113 /nfs/dbraw/zinc/00/71/13/323007113.db2.gz HABVCXQNSXGHCF-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](C)[C@H]1CCC[N@H+](CC#C)CC1 ZINC000156965086 323007114 /nfs/dbraw/zinc/00/71/14/323007114.db2.gz HABVCXQNSXGHCF-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](C)[C@H]1CCC[N@@H+](CC#C)CC1 ZINC000156965086 323007115 /nfs/dbraw/zinc/00/71/15/323007115.db2.gz HABVCXQNSXGHCF-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602525689 349577570 /nfs/dbraw/zinc/57/75/70/349577570.db2.gz HLFTYFQGUFTSDR-GFCCVEGCSA-N 2 2 211.353 1.856 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602525689 349577574 /nfs/dbraw/zinc/57/75/74/349577574.db2.gz HLFTYFQGUFTSDR-GFCCVEGCSA-N 2 2 211.353 1.856 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000309652648 342776482 /nfs/dbraw/zinc/77/64/82/342776482.db2.gz ORAJXFHAWIKINW-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000309652648 342776483 /nfs/dbraw/zinc/77/64/83/342776483.db2.gz ORAJXFHAWIKINW-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC#N)CCC2 ZINC000576980682 365740727 /nfs/dbraw/zinc/74/07/27/365740727.db2.gz UNHSSQYZIZBDLT-LLVKDONJSA-N 2 2 218.304 1.572 20 30 BDEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000600709630 344360750 /nfs/dbraw/zinc/36/07/50/344360750.db2.gz OQWMOEUUZITPAC-FVCCEPFGSA-N 2 2 221.348 1.799 20 30 BDEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000600712888 344361678 /nfs/dbraw/zinc/36/16/78/344361678.db2.gz CFFCAVMDKIECCG-WHOHXGKFSA-N 2 2 207.321 1.409 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000603430098 344394336 /nfs/dbraw/zinc/39/43/36/344394336.db2.gz SCQPUDBFIHTZGL-OLZOCXBDSA-N 2 2 229.327 1.774 20 30 BDEDLP C[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000381454264 344507461 /nfs/dbraw/zinc/50/74/61/344507461.db2.gz IRNXYDHOQQFNNR-NSHDSACASA-N 2 2 220.320 1.114 20 30 BDEDLP C#CCC[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000119455980 344850340 /nfs/dbraw/zinc/85/03/40/344850340.db2.gz LVBQWWPGWMINLA-UHFFFAOYSA-N 2 2 229.327 1.535 20 30 BDEDLP C[NH2+]C(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000425242528 192085531 /nfs/dbraw/zinc/08/55/31/192085531.db2.gz RTAYYKRSXQIEDO-UHFFFAOYSA-N 2 2 218.304 1.094 20 30 BDEDLP CC(C)(CCC#N)C[NH2+]CCn1cc[nH+]c1 ZINC000126627611 345128574 /nfs/dbraw/zinc/12/85/74/345128574.db2.gz IBRYHCRKUFFULM-UHFFFAOYSA-N 2 2 220.320 1.803 20 30 BDEDLP C#C[C@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000289338511 345245152 /nfs/dbraw/zinc/24/51/52/345245152.db2.gz HOCXGCBHKCWGBO-NSHDSACASA-N 2 2 213.284 1.754 20 30 BDEDLP CC#CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577086228 365810771 /nfs/dbraw/zinc/81/07/71/365810771.db2.gz MWGJUJQFYRLNDN-LLVKDONJSA-N 2 2 203.289 1.233 20 30 BDEDLP CC#CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577086228 365810773 /nfs/dbraw/zinc/81/07/73/365810773.db2.gz MWGJUJQFYRLNDN-LLVKDONJSA-N 2 2 203.289 1.233 20 30 BDEDLP C[NH+](C)Cc1cnc(C[NH2+]CCCC#N)s1 ZINC000309960981 347205388 /nfs/dbraw/zinc/20/53/88/347205388.db2.gz LCYHHSBZZAAUJM-UHFFFAOYSA-N 2 2 238.360 1.598 20 30 BDEDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000591581376 347678902 /nfs/dbraw/zinc/67/89/02/347678902.db2.gz SJWLOAWCQSWJAD-RKDXNWHRSA-N 2 2 221.279 1.695 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726533 347692502 /nfs/dbraw/zinc/69/25/02/347692502.db2.gz HNRVOOSJQULVOV-MGPQQGTHSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726533 347692503 /nfs/dbraw/zinc/69/25/03/347692503.db2.gz HNRVOOSJQULVOV-MGPQQGTHSA-N 2 2 246.358 1.646 20 30 BDEDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592493908 347787346 /nfs/dbraw/zinc/78/73/46/347787346.db2.gz JGCROXDDDCSPOF-CYBMUJFWSA-N 2 2 244.342 1.431 20 30 BDEDLP C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495885 347788436 /nfs/dbraw/zinc/78/84/36/347788436.db2.gz UXSJIARWVRSZSE-RISCZKNCSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495885 347788438 /nfs/dbraw/zinc/78/84/38/347788438.db2.gz UXSJIARWVRSZSE-RISCZKNCSA-N 2 2 244.342 1.370 20 30 BDEDLP CC(C)(CC#N)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594946968 348145944 /nfs/dbraw/zinc/14/59/44/348145944.db2.gz UXORZOOXKKWYNS-UHFFFAOYSA-N 2 2 232.331 1.859 20 30 BDEDLP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)C#N ZINC000595817844 348345070 /nfs/dbraw/zinc/34/50/70/348345070.db2.gz PNORPCQIDPMQCF-NSHDSACASA-N 2 2 220.320 1.816 20 30 BDEDLP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)C#N ZINC000595817844 348345073 /nfs/dbraw/zinc/34/50/73/348345073.db2.gz PNORPCQIDPMQCF-NSHDSACASA-N 2 2 220.320 1.816 20 30 BDEDLP C[C@]1(C#N)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000595844480 348382317 /nfs/dbraw/zinc/38/23/17/348382317.db2.gz TUCOGXVPJWFWGR-LLVKDONJSA-N 2 2 204.277 1.119 20 30 BDEDLP C[C@]1(C#N)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000595844480 348382320 /nfs/dbraw/zinc/38/23/20/348382320.db2.gz TUCOGXVPJWFWGR-LLVKDONJSA-N 2 2 204.277 1.119 20 30 BDEDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595894260 348390931 /nfs/dbraw/zinc/39/09/31/348390931.db2.gz WIERQVKKZKLMCA-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595894260 348390932 /nfs/dbraw/zinc/39/09/32/348390932.db2.gz WIERQVKKZKLMCA-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(C#N)c1 ZINC000596655332 348599646 /nfs/dbraw/zinc/59/96/46/348599646.db2.gz VEBDILAVKNEZBK-ZOODHJKOSA-N 2 2 241.338 1.961 20 30 BDEDLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)cc1 ZINC000596653347 348606784 /nfs/dbraw/zinc/60/67/84/348606784.db2.gz JVJPRDXFDZPVCU-ZOODHJKOSA-N 2 2 241.338 1.961 20 30 BDEDLP C[C@H](C#N)C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000336698559 350453016 /nfs/dbraw/zinc/45/30/16/350453016.db2.gz JJRVJLPCAMMARO-LLVKDONJSA-N 2 2 218.304 1.507 20 30 BDEDLP C[C@H](C#N)C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000336698559 350453019 /nfs/dbraw/zinc/45/30/19/350453019.db2.gz JJRVJLPCAMMARO-LLVKDONJSA-N 2 2 218.304 1.507 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397794638 350973724 /nfs/dbraw/zinc/97/37/24/350973724.db2.gz QRWFGCJYPFCJGF-CYBMUJFWSA-N 2 2 246.358 1.978 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397794638 350973727 /nfs/dbraw/zinc/97/37/27/350973727.db2.gz QRWFGCJYPFCJGF-CYBMUJFWSA-N 2 2 246.358 1.978 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397860557 350979714 /nfs/dbraw/zinc/97/97/14/350979714.db2.gz YAFOJEUTJUBSIU-ZDUSSCGKSA-N 2 2 232.331 1.817 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397860557 350979718 /nfs/dbraw/zinc/97/97/18/350979718.db2.gz YAFOJEUTJUBSIU-ZDUSSCGKSA-N 2 2 232.331 1.817 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000232315648 352618250 /nfs/dbraw/zinc/61/82/50/352618250.db2.gz AVEOZPJAKPTSQL-AAEUAGOBSA-N 2 2 246.358 1.469 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000232315648 352618253 /nfs/dbraw/zinc/61/82/53/352618253.db2.gz AVEOZPJAKPTSQL-AAEUAGOBSA-N 2 2 246.358 1.469 20 30 BDEDLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000232315032 352617819 /nfs/dbraw/zinc/61/78/19/352617819.db2.gz XJDMIIIYKXEBCX-GFCCVEGCSA-N 2 2 244.342 1.223 20 30 BDEDLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000232315032 352617821 /nfs/dbraw/zinc/61/78/21/352617821.db2.gz XJDMIIIYKXEBCX-GFCCVEGCSA-N 2 2 244.342 1.223 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745377 352732049 /nfs/dbraw/zinc/73/20/49/352732049.db2.gz QTSWDXMUOFQWKP-NWDGAFQWSA-N 2 2 223.364 1.856 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745377 352732052 /nfs/dbraw/zinc/73/20/52/352732052.db2.gz QTSWDXMUOFQWKP-NWDGAFQWSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336761767 353175866 /nfs/dbraw/zinc/17/58/66/353175866.db2.gz KUHMEJDJSJMMTR-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336761767 353175869 /nfs/dbraw/zinc/17/58/69/353175869.db2.gz KUHMEJDJSJMMTR-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267857285 535208117 /nfs/dbraw/zinc/20/81/17/535208117.db2.gz FFLPEITZWPZIMT-UHFFFAOYSA-N 2 2 235.331 1.795 20 30 BDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@H](C)O)C(C)C ZINC000577859537 366087321 /nfs/dbraw/zinc/08/73/21/366087321.db2.gz DFVLMVHGRAJTBB-UONOGXRCSA-N 2 2 240.391 1.655 20 30 BDEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000289273297 353621149 /nfs/dbraw/zinc/62/11/49/353621149.db2.gz NUQOTJYCRHHUQV-OAHLLOKOSA-N 2 2 228.339 1.852 20 30 BDEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000289273297 353621150 /nfs/dbraw/zinc/62/11/50/353621150.db2.gz NUQOTJYCRHHUQV-OAHLLOKOSA-N 2 2 228.339 1.852 20 30 BDEDLP Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399069386 353825826 /nfs/dbraw/zinc/82/58/26/353825826.db2.gz NGBIGNNFGUEUHA-BXKDBHETSA-N 2 2 230.315 1.435 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c(F)c1 ZINC000042237431 181108007 /nfs/dbraw/zinc/10/80/07/181108007.db2.gz VANKDCPXEXNEJD-UHFFFAOYSA-N 2 2 244.273 1.684 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000135480692 181108739 /nfs/dbraw/zinc/10/87/39/181108739.db2.gz TVZWILJZEYNANJ-UHFFFAOYSA-N 2 2 216.244 1.138 20 30 BDEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000346656744 355003452 /nfs/dbraw/zinc/00/34/52/355003452.db2.gz QSDGCOVMMDSWJO-CYBMUJFWSA-N 2 2 232.327 1.784 20 30 BDEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000346656744 355003455 /nfs/dbraw/zinc/00/34/55/355003455.db2.gz QSDGCOVMMDSWJO-CYBMUJFWSA-N 2 2 232.327 1.784 20 30 BDEDLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330232268 356188980 /nfs/dbraw/zinc/18/89/80/356188980.db2.gz RMSZUZBIKPQOMW-NSHDSACASA-N 2 2 248.330 1.536 20 30 BDEDLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330232268 356188985 /nfs/dbraw/zinc/18/89/85/356188985.db2.gz RMSZUZBIKPQOMW-NSHDSACASA-N 2 2 248.330 1.536 20 30 BDEDLP C#CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000367869700 134216468 /nfs/dbraw/zinc/21/64/68/134216468.db2.gz YAELOQZYVWYGDK-CYBMUJFWSA-N 2 2 216.284 1.558 20 30 BDEDLP C#CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000367869700 134216469 /nfs/dbraw/zinc/21/64/69/134216469.db2.gz YAELOQZYVWYGDK-CYBMUJFWSA-N 2 2 216.284 1.558 20 30 BDEDLP CCN(CC)C(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000261978551 535390488 /nfs/dbraw/zinc/39/04/88/535390488.db2.gz HAICNIABJCTHSN-UHFFFAOYSA-N 2 2 249.362 1.376 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000177906092 134301815 /nfs/dbraw/zinc/30/18/15/134301815.db2.gz QUVXQRYSNCVBCS-OLZOCXBDSA-N 2 2 238.375 1.651 20 30 BDEDLP C[C@]1(C#N)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000612159446 359709084 /nfs/dbraw/zinc/70/90/84/359709084.db2.gz UYZGSVBTDDYJNK-CYBMUJFWSA-N 2 2 232.331 1.899 20 30 BDEDLP C[C@]1(C#N)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000612159446 359709087 /nfs/dbraw/zinc/70/90/87/359709087.db2.gz UYZGSVBTDDYJNK-CYBMUJFWSA-N 2 2 232.331 1.899 20 30 BDEDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(C#N)o1 ZINC000600767603 364023888 /nfs/dbraw/zinc/02/38/88/364023888.db2.gz BUGBQRBIYYLDFD-NSHDSACASA-N 2 2 207.277 1.224 20 30 BDEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581721581 367784934 /nfs/dbraw/zinc/78/49/34/367784934.db2.gz DJJJSTQQBUAXME-ZIAGYGMSSA-N 2 2 248.374 1.894 20 30 BDEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581721581 367784938 /nfs/dbraw/zinc/78/49/38/367784938.db2.gz DJJJSTQQBUAXME-ZIAGYGMSSA-N 2 2 248.374 1.894 20 30 BDEDLP CCc1ccc([C@@H](CNC(N)=[NH2+])[NH+](C)C)cc1 ZINC000073757066 368814598 /nfs/dbraw/zinc/81/45/98/368814598.db2.gz UOWKQUVLRBYWTL-GFCCVEGCSA-N 2 2 234.347 1.125 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459476875 203287146 /nfs/dbraw/zinc/28/71/46/203287146.db2.gz LYQURYMZFXSCOY-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459476875 203287148 /nfs/dbraw/zinc/28/71/48/203287148.db2.gz LYQURYMZFXSCOY-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP N#Cc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107573712 369353711 /nfs/dbraw/zinc/35/37/11/369353711.db2.gz QAWGKGUJUAENBK-ZIAGYGMSSA-N 2 2 227.311 1.209 20 30 BDEDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000600769578 369563668 /nfs/dbraw/zinc/56/36/68/369563668.db2.gz OVMBNPXYDAHVQC-SKDRFNHKSA-N 2 2 219.288 1.239 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769687 369564445 /nfs/dbraw/zinc/56/44/45/369564445.db2.gz YBGUUKAQQNUNST-BXKDBHETSA-N 2 2 219.288 1.320 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769687 369564451 /nfs/dbraw/zinc/56/44/51/369564451.db2.gz YBGUUKAQQNUNST-BXKDBHETSA-N 2 2 219.288 1.320 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CCCn1cc[nH+]c1 ZINC000568778634 326377359 /nfs/dbraw/zinc/37/73/59/326377359.db2.gz IAWHZIYSJSHHQF-NSHDSACASA-N 2 2 206.293 1.555 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000040671812 373584858 /nfs/dbraw/zinc/58/48/58/373584858.db2.gz YZPNZPIQFJBIAC-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000040671812 373584863 /nfs/dbraw/zinc/58/48/63/373584863.db2.gz YZPNZPIQFJBIAC-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569568924 384258217 /nfs/dbraw/zinc/25/82/17/384258217.db2.gz SLSDOFFSRIOMHL-MCIONIFRSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569568924 384258220 /nfs/dbraw/zinc/25/82/20/384258220.db2.gz SLSDOFFSRIOMHL-MCIONIFRSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569568925 384258350 /nfs/dbraw/zinc/25/83/50/384258350.db2.gz SLSDOFFSRIOMHL-MGPQQGTHSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569568925 384258355 /nfs/dbraw/zinc/25/83/55/384258355.db2.gz SLSDOFFSRIOMHL-MGPQQGTHSA-N 2 2 246.358 1.646 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000335468911 384289238 /nfs/dbraw/zinc/28/92/38/384289238.db2.gz VPPNUNGOHABYCT-RNCFNFMXSA-N 2 2 215.300 1.482 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000394150955 384586852 /nfs/dbraw/zinc/58/68/52/384586852.db2.gz IJXZOXIOMDOFSZ-CYBMUJFWSA-N 2 2 248.374 1.509 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000394150955 384586854 /nfs/dbraw/zinc/58/68/54/384586854.db2.gz IJXZOXIOMDOFSZ-CYBMUJFWSA-N 2 2 248.374 1.509 20 30 BDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)C(C)C ZINC000128470414 385039435 /nfs/dbraw/zinc/03/94/35/385039435.db2.gz YMBHTJBRWIAWSM-UHFFFAOYSA-N 2 2 224.308 1.526 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000449127146 385126513 /nfs/dbraw/zinc/12/65/13/385126513.db2.gz WKOZJDZGMIPVEN-MBNYWOFBSA-N 2 2 238.375 1.792 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369901858 533155346 /nfs/dbraw/zinc/15/53/46/533155346.db2.gz ZKUIHPJZVYMFMZ-CYBMUJFWSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369901858 533155352 /nfs/dbraw/zinc/15/53/52/533155352.db2.gz ZKUIHPJZVYMFMZ-CYBMUJFWSA-N 2 2 229.327 1.900 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336770346 386013189 /nfs/dbraw/zinc/01/31/89/386013189.db2.gz VSCVGZWDXWXVCP-VXGBXAGGSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336770346 386013193 /nfs/dbraw/zinc/01/31/93/386013193.db2.gz VSCVGZWDXWXVCP-VXGBXAGGSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336770345 386015342 /nfs/dbraw/zinc/01/53/42/386015342.db2.gz VSCVGZWDXWXVCP-RYUDHWBXSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336770345 386015350 /nfs/dbraw/zinc/01/53/50/386015350.db2.gz VSCVGZWDXWXVCP-RYUDHWBXSA-N 2 2 228.405 1.835 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000417351029 386490526 /nfs/dbraw/zinc/49/05/26/386490526.db2.gz BPLTVXNQBJQINW-MNOVXSKESA-N 2 2 207.321 1.362 20 30 BDEDLP Cc1cc(NCC2CC[NH+](C)CC2)c(C#N)c[nH+]1 ZINC000399361605 386707711 /nfs/dbraw/zinc/70/77/11/386707711.db2.gz HQLKOUBKSICNLS-UHFFFAOYSA-N 2 2 244.342 1.437 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752531 386831036 /nfs/dbraw/zinc/83/10/36/386831036.db2.gz GUZKSWHOHYIFEN-DGCLKSJQSA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752531 386831042 /nfs/dbraw/zinc/83/10/42/386831042.db2.gz GUZKSWHOHYIFEN-DGCLKSJQSA-N 2 2 233.359 1.753 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417902053 387035062 /nfs/dbraw/zinc/03/50/62/387035062.db2.gz OVXXBIRXIPPHFG-CYBMUJFWSA-N 2 2 238.375 1.794 20 30 BDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246356463 387078224 /nfs/dbraw/zinc/07/82/24/387078224.db2.gz WVFCKHMPLMIICF-VXGBXAGGSA-N 2 2 203.289 1.399 20 30 BDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246356463 387078226 /nfs/dbraw/zinc/07/82/26/387078226.db2.gz WVFCKHMPLMIICF-VXGBXAGGSA-N 2 2 203.289 1.399 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423375156 387256900 /nfs/dbraw/zinc/25/69/00/387256900.db2.gz XOJDWMXCUFJYDD-LPWJVIDDSA-N 2 2 221.348 1.656 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000392848149 387294026 /nfs/dbraw/zinc/29/40/26/387294026.db2.gz HFTZNLKRYNJTFN-UHFFFAOYSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000392848149 387294029 /nfs/dbraw/zinc/29/40/29/387294029.db2.gz HFTZNLKRYNJTFN-UHFFFAOYSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[N@H+](C)CCCNC1CC[NH+](C2CC2)CC1 ZINC000392848149 387294033 /nfs/dbraw/zinc/29/40/33/387294033.db2.gz HFTZNLKRYNJTFN-UHFFFAOYSA-N 2 2 249.402 1.158 20 30 BDEDLP C#CC[N@@H+](C)CCCNC1CC[NH+](C2CC2)CC1 ZINC000392848149 387294038 /nfs/dbraw/zinc/29/40/38/387294038.db2.gz HFTZNLKRYNJTFN-UHFFFAOYSA-N 2 2 249.402 1.158 20 30 BDEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423529821 387359813 /nfs/dbraw/zinc/35/98/13/387359813.db2.gz VYEXTSYHXSLSET-STQMWFEESA-N 2 2 226.364 1.699 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422859462 387744344 /nfs/dbraw/zinc/74/43/44/387744344.db2.gz KFCNRRIWQCCNSK-CYBMUJFWSA-N 3 2 239.407 1.744 20 30 BDEDLP CC[NH+](CC)CCCNc1cc(C)[nH+]cc1C#N ZINC000399492246 387741487 /nfs/dbraw/zinc/74/14/87/387741487.db2.gz HETAZKZHAAKHHB-UHFFFAOYSA-N 2 2 246.358 1.827 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422983488 387794286 /nfs/dbraw/zinc/79/42/86/387794286.db2.gz ZRPVBJJKPPROGP-QWHCGFSZSA-N 3 2 239.407 1.742 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000424168334 387859869 /nfs/dbraw/zinc/85/98/69/387859869.db2.gz GDHISXKXOARBDG-CYDGBPFRSA-N 2 2 224.348 1.117 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000424168334 387859875 /nfs/dbraw/zinc/85/98/75/387859875.db2.gz GDHISXKXOARBDG-CYDGBPFRSA-N 2 2 224.348 1.117 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424194952 387918079 /nfs/dbraw/zinc/91/80/79/387918079.db2.gz MGNJJSSWYZSNQR-XQHKEYJVSA-N 2 2 221.348 1.608 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424194952 387918083 /nfs/dbraw/zinc/91/80/83/387918083.db2.gz MGNJJSSWYZSNQR-XQHKEYJVSA-N 2 2 221.348 1.608 20 30 BDEDLP C=C(CC)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423163662 387946176 /nfs/dbraw/zinc/94/61/76/387946176.db2.gz RHADBQQFCRJVAR-STQMWFEESA-N 2 2 224.348 1.309 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252964800 135118291 /nfs/dbraw/zinc/11/82/91/135118291.db2.gz RHXJOOPYQILBFC-SRVKXCTJSA-N 2 2 212.337 1.308 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000449120411 388145644 /nfs/dbraw/zinc/14/56/44/388145644.db2.gz CWIOYOHDXMZLMV-DGCLKSJQSA-N 2 2 240.416 1.978 20 30 BDEDLP C#CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000490780853 388254522 /nfs/dbraw/zinc/25/45/22/388254522.db2.gz SDOAUZQPUPHKFM-CYBMUJFWSA-N 2 2 206.333 1.283 20 30 BDEDLP C#CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000490780853 388254524 /nfs/dbraw/zinc/25/45/24/388254524.db2.gz SDOAUZQPUPHKFM-CYBMUJFWSA-N 2 2 206.333 1.283 20 30 BDEDLP C#CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490780853 388254526 /nfs/dbraw/zinc/25/45/26/388254526.db2.gz SDOAUZQPUPHKFM-CYBMUJFWSA-N 2 2 206.333 1.283 20 30 BDEDLP C#CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490780853 388254528 /nfs/dbraw/zinc/25/45/28/388254528.db2.gz SDOAUZQPUPHKFM-CYBMUJFWSA-N 2 2 206.333 1.283 20 30 BDEDLP C#CC[N@H+](CC#CC)CC[C@@H]1CCC[NH+]1C ZINC000490900153 388260041 /nfs/dbraw/zinc/26/00/41/388260041.db2.gz TYLDIAYYQOHVJJ-AWEZNQCLSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[N@@H+](CC#CC)CC[C@@H]1CCC[NH+]1C ZINC000490900153 388260042 /nfs/dbraw/zinc/26/00/42/388260042.db2.gz TYLDIAYYQOHVJJ-AWEZNQCLSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[NH+](CC#CC)CC[C@@H]1CCC[N@@H+]1C ZINC000490900153 388260045 /nfs/dbraw/zinc/26/00/45/388260045.db2.gz TYLDIAYYQOHVJJ-AWEZNQCLSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[NH+](CC#CC)CC[C@@H]1CCC[N@H+]1C ZINC000490900153 388260046 /nfs/dbraw/zinc/26/00/46/388260046.db2.gz TYLDIAYYQOHVJJ-AWEZNQCLSA-N 2 2 218.344 1.429 20 30 BDEDLP C[C@H]([NH2+]CC[NH3+])c1ccc(C#N)c(F)c1 ZINC000423192545 388688398 /nfs/dbraw/zinc/68/83/98/388688398.db2.gz VVRMMJXBLYXATC-QMMMGPOBSA-N 2 2 207.252 1.307 20 30 BDEDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423379420 388692999 /nfs/dbraw/zinc/69/29/99/388692999.db2.gz XQCXDOMZWWLJFJ-UWVGGRQHSA-N 2 2 203.289 1.556 20 30 BDEDLP N#CCC[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000564844870 388892885 /nfs/dbraw/zinc/89/28/85/388892885.db2.gz PAPUFQNJXONQOM-UHFFFAOYSA-N 2 2 218.304 1.265 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000565168316 388920712 /nfs/dbraw/zinc/92/07/12/388920712.db2.gz CRVVZNCRZZHVKB-NWDGAFQWSA-N 2 2 209.337 1.753 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000565168316 388920714 /nfs/dbraw/zinc/92/07/14/388920714.db2.gz CRVVZNCRZZHVKB-NWDGAFQWSA-N 2 2 209.337 1.753 20 30 BDEDLP C=C(C)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000352043441 134045655 /nfs/dbraw/zinc/04/56/55/134045655.db2.gz DJDCCAMSGLICIZ-UHFFFAOYSA-N 2 2 248.374 1.504 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333766721 134129943 /nfs/dbraw/zinc/12/99/43/134129943.db2.gz WXOPUOFVXRSGKF-FRRDWIJNSA-N 2 2 244.342 1.870 20 30 BDEDLP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371203822 134228096 /nfs/dbraw/zinc/22/80/96/134228096.db2.gz DJCQGXULNACHHJ-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371203822 134228097 /nfs/dbraw/zinc/22/80/97/134228097.db2.gz DJCQGXULNACHHJ-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000371203822 134228098 /nfs/dbraw/zinc/22/80/98/134228098.db2.gz DJCQGXULNACHHJ-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000371203822 134228099 /nfs/dbraw/zinc/22/80/99/134228099.db2.gz DJCQGXULNACHHJ-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000373115912 134233706 /nfs/dbraw/zinc/23/37/06/134233706.db2.gz PNJVJXFKWLZPEU-LBPRGKRZSA-N 2 2 232.331 1.903 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000373115912 134233707 /nfs/dbraw/zinc/23/37/07/134233707.db2.gz PNJVJXFKWLZPEU-LBPRGKRZSA-N 2 2 232.331 1.903 20 30 BDEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NCCC(C)C ZINC000269977486 135168000 /nfs/dbraw/zinc/16/80/00/135168000.db2.gz PZNMOZWDDCOHLF-UHFFFAOYSA-N 2 2 248.374 1.883 20 30 BDEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NC1CCCC1 ZINC000269966805 135168353 /nfs/dbraw/zinc/16/83/53/135168353.db2.gz NIBOBOSNYPMRIG-UHFFFAOYSA-N 2 2 246.358 1.779 20 30 BDEDLP C=CC[C@@H](CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000341266397 135235521 /nfs/dbraw/zinc/23/55/21/135235521.db2.gz INHNIMFRAHSXON-GFCCVEGCSA-N 2 2 245.326 1.609 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccco1 ZINC000294541736 135377674 /nfs/dbraw/zinc/37/76/74/135377674.db2.gz APZIWBKFNUUPMG-LBPRGKRZSA-N 2 2 220.316 1.885 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccco1 ZINC000294541736 135377676 /nfs/dbraw/zinc/37/76/76/135377676.db2.gz APZIWBKFNUUPMG-LBPRGKRZSA-N 2 2 220.316 1.885 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccnc1 ZINC000295123547 135378843 /nfs/dbraw/zinc/37/88/43/135378843.db2.gz YXPJJXIDVREEIZ-CYBMUJFWSA-N 2 2 231.343 1.687 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccnc1 ZINC000295123547 135378844 /nfs/dbraw/zinc/37/88/44/135378844.db2.gz YXPJJXIDVREEIZ-CYBMUJFWSA-N 2 2 231.343 1.687 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727490 398039586 /nfs/dbraw/zinc/03/95/86/398039586.db2.gz FHFXSBJWWHXPFH-DOMZBBRYSA-N 2 2 243.354 1.792 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727490 398039589 /nfs/dbraw/zinc/03/95/89/398039589.db2.gz FHFXSBJWWHXPFH-DOMZBBRYSA-N 2 2 243.354 1.792 20 30 BDEDLP C=CCC[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657484658 411529166 /nfs/dbraw/zinc/52/91/66/411529166.db2.gz HDNFMCVBRDRFCD-LLVKDONJSA-N 2 2 235.331 1.246 20 30 BDEDLP C=C(C)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660693381 411618059 /nfs/dbraw/zinc/61/80/59/411618059.db2.gz YRWLVGDZVPXHGH-UHFFFAOYSA-N 2 2 240.391 1.635 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336753656 173034310 /nfs/dbraw/zinc/03/43/10/173034310.db2.gz GZMBWVPBSXUCHN-IJLUTSLNSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336753656 173034313 /nfs/dbraw/zinc/03/43/13/173034313.db2.gz GZMBWVPBSXUCHN-IJLUTSLNSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC000193596695 173198391 /nfs/dbraw/zinc/19/83/91/173198391.db2.gz RAWQWDPYCFFMFP-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC000193596695 173198394 /nfs/dbraw/zinc/19/83/94/173198394.db2.gz RAWQWDPYCFFMFP-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC000193596695 173198396 /nfs/dbraw/zinc/19/83/96/173198396.db2.gz RAWQWDPYCFFMFP-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC000193596695 173198399 /nfs/dbraw/zinc/19/83/99/173198399.db2.gz RAWQWDPYCFFMFP-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP N#Cc1csc(C[NH2+]CCCn2cc[nH+]c2)n1 ZINC000352836117 268320439 /nfs/dbraw/zinc/32/04/39/268320439.db2.gz RNVSYWPDZKFTNT-UHFFFAOYSA-N 2 2 247.327 1.391 20 30 BDEDLP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000877020070 590269947 /nfs/dbraw/zinc/26/99/47/590269947.db2.gz XBDLLKDOFVHKCK-ZDUSSCGKSA-N 2 2 208.349 1.864 20 30 BDEDLP C#CCCCCCC[NH2+][C@H]1CC[N@H+](C)C1 ZINC000877020070 590269948 /nfs/dbraw/zinc/26/99/48/590269948.db2.gz XBDLLKDOFVHKCK-ZDUSSCGKSA-N 2 2 208.349 1.864 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986093 487559841 /nfs/dbraw/zinc/55/98/41/487559841.db2.gz PNAYBIOLWWWUPL-CQSZACIVSA-N 2 2 236.359 1.196 20 30 BDEDLP CC#CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986093 487559844 /nfs/dbraw/zinc/55/98/44/487559844.db2.gz PNAYBIOLWWWUPL-CQSZACIVSA-N 2 2 236.359 1.196 20 30 BDEDLP C=CC[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000169108417 534352120 /nfs/dbraw/zinc/35/21/20/534352120.db2.gz YFMUAXZJGXNTFM-JTQLQIEISA-N 2 2 222.336 1.540 20 30 BDEDLP C=C[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000352452709 534539088 /nfs/dbraw/zinc/53/90/88/534539088.db2.gz IPRKRGHYZJDGOF-JTQLQIEISA-N 2 2 249.339 1.570 20 30 BDEDLP C=CCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264079136 534843832 /nfs/dbraw/zinc/84/38/32/534843832.db2.gz HZYMVXAMRAHDTO-CYBMUJFWSA-N 2 2 246.358 1.380 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1CC)C(C)C ZINC000300999952 527291558 /nfs/dbraw/zinc/29/15/58/527291558.db2.gz WYDQBQKWVSJOSD-GFCCVEGCSA-N 2 2 205.305 1.650 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)CCOCCC#N ZINC000293738001 536362919 /nfs/dbraw/zinc/36/29/19/536362919.db2.gz HHVOYPBAIXKXRV-UHFFFAOYSA-N 2 2 236.319 1.135 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)CCOCCC#N ZINC000293738001 536362924 /nfs/dbraw/zinc/36/29/24/536362924.db2.gz HHVOYPBAIXKXRV-UHFFFAOYSA-N 2 2 236.319 1.135 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)cn1 ZINC000894640102 583498790 /nfs/dbraw/zinc/49/87/90/583498790.db2.gz WRVPWISZPJFCOS-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)cn1 ZINC000894640102 583498791 /nfs/dbraw/zinc/49/87/91/583498791.db2.gz WRVPWISZPJFCOS-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c(C)cc[nH+]c1N)C(C)C ZINC000894737580 583514833 /nfs/dbraw/zinc/51/48/33/583514833.db2.gz DKNXXEVYGKMQKQ-LBPRGKRZSA-N 2 2 217.316 1.720 20 30 BDEDLP CC#CC[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000895098247 583588122 /nfs/dbraw/zinc/58/81/22/583588122.db2.gz YGPRFZRLBQFVRP-HNNXBMFYSA-N 2 2 246.354 1.687 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902468998 584615691 /nfs/dbraw/zinc/61/56/91/584615691.db2.gz NJGMFHIAXXGRLB-KSSYENDESA-N 2 2 219.332 1.551 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000903424723 584764601 /nfs/dbraw/zinc/76/46/01/584764601.db2.gz DDKQJKSWZRCSEX-LBPRGKRZSA-N 2 2 231.343 1.954 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000903424723 584764602 /nfs/dbraw/zinc/76/46/02/584764602.db2.gz DDKQJKSWZRCSEX-LBPRGKRZSA-N 2 2 231.343 1.954 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)CC[NH3+] ZINC000903458496 584765351 /nfs/dbraw/zinc/76/53/51/584765351.db2.gz BIXUNXKWYYKDLT-UHFFFAOYSA-N 2 2 217.316 1.566 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC[NH3+] ZINC000903458496 584765352 /nfs/dbraw/zinc/76/53/52/584765352.db2.gz BIXUNXKWYYKDLT-UHFFFAOYSA-N 2 2 217.316 1.566 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903852789 584808005 /nfs/dbraw/zinc/80/80/05/584808005.db2.gz BKJYUAIHXIZNOZ-LSDHHAIUSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903852789 584808006 /nfs/dbraw/zinc/80/80/06/584808006.db2.gz BKJYUAIHXIZNOZ-LSDHHAIUSA-N 2 2 241.338 1.871 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757644413 585343632 /nfs/dbraw/zinc/34/36/32/585343632.db2.gz VXAHJXXGSCVQNG-SNVBAGLBSA-N 2 2 225.723 1.962 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757644413 585343633 /nfs/dbraw/zinc/34/36/33/585343633.db2.gz VXAHJXXGSCVQNG-SNVBAGLBSA-N 2 2 225.723 1.962 20 30 BDEDLP C#C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000775796481 585685280 /nfs/dbraw/zinc/68/52/80/585685280.db2.gz YQAKDOULMBXCNL-CHWSQXEVSA-N 2 2 233.315 1.044 20 30 BDEDLP CC(=[NH+]NC1=[NH+]C[C@H](C)N1)c1ccc(N)cc1C ZINC000779794738 585764519 /nfs/dbraw/zinc/76/45/19/585764519.db2.gz MKNMDFNODBFKPX-VIFPVBQESA-N 2 2 245.330 1.239 20 30 BDEDLP C#CCCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000799188569 586165858 /nfs/dbraw/zinc/16/58/58/586165858.db2.gz NVVMECPMPQESRN-UHFFFAOYSA-N 2 2 243.354 1.925 20 30 BDEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000817935409 586841479 /nfs/dbraw/zinc/84/14/79/586841479.db2.gz VGYBZEPDNXVDHF-NSHDSACASA-N 2 2 218.300 1.308 20 30 BDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000817944663 586846619 /nfs/dbraw/zinc/84/66/19/586846619.db2.gz JCAKIMUYOYUTBD-TZMCWYRMSA-N 2 2 244.338 1.711 20 30 BDEDLP C#CC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000830345769 587546957 /nfs/dbraw/zinc/54/69/57/587546957.db2.gz RZFJKXZHRJSZMB-UHFFFAOYSA-N 2 2 217.316 1.537 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000831829362 587633144 /nfs/dbraw/zinc/63/31/44/587633144.db2.gz IKGRBXIDANGWTH-OLZOCXBDSA-N 2 2 224.348 1.405 20 30 BDEDLP C#C[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848911376 588419043 /nfs/dbraw/zinc/41/90/43/588419043.db2.gz VJJNJEUJAVWENY-TZMCWYRMSA-N 2 2 236.359 1.241 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000851841224 588634500 /nfs/dbraw/zinc/63/45/00/588634500.db2.gz ODXQGZVQJIYKSU-CYBMUJFWSA-N 2 2 224.348 1.099 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000851841224 588634501 /nfs/dbraw/zinc/63/45/01/588634501.db2.gz ODXQGZVQJIYKSU-CYBMUJFWSA-N 2 2 224.348 1.099 20 30 BDEDLP C#CCSCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120031352 589357778 /nfs/dbraw/zinc/35/77/78/589357778.db2.gz YPYMPYKYPNNGIG-NWDGAFQWSA-N 2 2 238.400 1.568 20 30 BDEDLP C#CCSCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120031352 589357779 /nfs/dbraw/zinc/35/77/79/589357779.db2.gz YPYMPYKYPNNGIG-NWDGAFQWSA-N 2 2 238.400 1.568 20 30 BDEDLP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866214845 589481211 /nfs/dbraw/zinc/48/12/11/589481211.db2.gz RVYQRLYGOVDXFE-NSHDSACASA-N 2 2 247.342 1.866 20 30 BDEDLP C=C(Cl)C[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000871788850 589818962 /nfs/dbraw/zinc/81/89/62/589818962.db2.gz OFIXHESHQCHIAR-ZETCQYMHSA-N 2 2 242.710 1.550 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OC[C@@H]1CCOC1 ZINC000872367657 589921790 /nfs/dbraw/zinc/92/17/90/589921790.db2.gz CHNIAGOXSQTDPK-SNVBAGLBSA-N 2 2 235.287 1.359 20 30 BDEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000125012195 590113108 /nfs/dbraw/zinc/11/31/08/590113108.db2.gz HQJABMYIWBVPNJ-ZJUUUORDSA-N 2 2 247.180 1.967 20 30 BDEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000125012195 590113109 /nfs/dbraw/zinc/11/31/09/590113109.db2.gz HQJABMYIWBVPNJ-ZJUUUORDSA-N 2 2 247.180 1.967 20 30 BDEDLP C=CC[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000878286564 590533231 /nfs/dbraw/zinc/53/32/31/590533231.db2.gz QUEBSDFZWTZBCZ-LBPRGKRZSA-N 2 2 234.347 1.507 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880137072 590940378 /nfs/dbraw/zinc/94/03/78/590940378.db2.gz XNSBICGZNXPBRD-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880137072 590940381 /nfs/dbraw/zinc/94/03/81/590940381.db2.gz XNSBICGZNXPBRD-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880137072 590940384 /nfs/dbraw/zinc/94/03/84/590940384.db2.gz XNSBICGZNXPBRD-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880137072 590940386 /nfs/dbraw/zinc/94/03/86/590940386.db2.gz XNSBICGZNXPBRD-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C=CCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880200993 590957585 /nfs/dbraw/zinc/95/75/85/590957585.db2.gz FNJCHRMXQIRQJV-AWEZNQCLSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880200993 590957588 /nfs/dbraw/zinc/95/75/88/590957588.db2.gz FNJCHRMXQIRQJV-AWEZNQCLSA-N 2 2 238.375 1.796 20 30 BDEDLP C[C@H]1C[N@H+](CCC#N)CCN1c1cc[nH+]cc1 ZINC000880261968 590980557 /nfs/dbraw/zinc/98/05/57/590980557.db2.gz PLKVKJOAJFPSGY-LBPRGKRZSA-N 2 2 230.315 1.506 20 30 BDEDLP C[C@H]1C[N@@H+](CCC#N)CCN1c1cc[nH+]cc1 ZINC000880261968 590980559 /nfs/dbraw/zinc/98/05/59/590980559.db2.gz PLKVKJOAJFPSGY-LBPRGKRZSA-N 2 2 230.315 1.506 20 30 BDEDLP C=CCC[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCCO1 ZINC000883221904 591576333 /nfs/dbraw/zinc/57/63/33/591576333.db2.gz JXMNBTZRUNWNCX-QWHCGFSZSA-N 2 2 226.364 1.651 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000884610505 591993874 /nfs/dbraw/zinc/99/38/74/591993874.db2.gz NWZUHLZPCCLWSM-LBPRGKRZSA-N 2 2 230.315 1.295 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000884610505 591993875 /nfs/dbraw/zinc/99/38/75/591993875.db2.gz NWZUHLZPCCLWSM-LBPRGKRZSA-N 2 2 230.315 1.295 20 30 BDEDLP CC#CC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886710724 592309543 /nfs/dbraw/zinc/30/95/43/592309543.db2.gz DYHQYFVQONPUPQ-UHFFFAOYSA-N 2 2 220.360 1.960 20 30 BDEDLP CCCCCCC[N@H+](CC[NH3+])CCO ZINC000309095755 631879773 /nfs/dbraw/zinc/87/97/73/631879773.db2.gz CTYGHADLLQFUKP-UHFFFAOYSA-N 2 2 202.342 1.210 20 30 BDEDLP CCCCCCC[N@@H+](CC[NH3+])CCO ZINC000309095755 631879777 /nfs/dbraw/zinc/87/97/77/631879777.db2.gz CTYGHADLLQFUKP-UHFFFAOYSA-N 2 2 202.342 1.210 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309142906 631908072 /nfs/dbraw/zinc/90/80/72/631908072.db2.gz UESXJVHLAHEUDM-YPMHNXCESA-N 2 2 206.333 1.472 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309142906 631908077 /nfs/dbraw/zinc/90/80/77/631908077.db2.gz UESXJVHLAHEUDM-YPMHNXCESA-N 2 2 206.333 1.472 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000926488842 632128062 /nfs/dbraw/zinc/12/80/62/632128062.db2.gz AAEMBLAKDHERJY-NSHDSACASA-N 2 2 249.358 1.897 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000926488842 632128068 /nfs/dbraw/zinc/12/80/68/632128068.db2.gz AAEMBLAKDHERJY-NSHDSACASA-N 2 2 249.358 1.897 20 30 BDEDLP C=CCNC(NCCn1cc[nH+]c1)=[NH+]C(C)(C)C ZINC000912497001 640093864 /nfs/dbraw/zinc/09/38/64/640093864.db2.gz KQDNEKOGCZLRII-UHFFFAOYSA-N 2 2 249.362 1.403 20 30 BDEDLP N#CCCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512047 640243136 /nfs/dbraw/zinc/24/31/36/640243136.db2.gz SNVUJQPNFAVAJV-UHFFFAOYSA-N 2 2 230.315 1.716 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329364 644346632 /nfs/dbraw/zinc/34/66/32/644346632.db2.gz HOTOMLZJDSRHHW-QWHCGFSZSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329364 644346635 /nfs/dbraw/zinc/34/66/35/644346635.db2.gz HOTOMLZJDSRHHW-QWHCGFSZSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923378884 644391418 /nfs/dbraw/zinc/39/14/18/644391418.db2.gz GBAFWLWHSPEIBD-STQMWFEESA-N 2 2 224.348 1.141 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923378884 644391423 /nfs/dbraw/zinc/39/14/23/644391423.db2.gz GBAFWLWHSPEIBD-STQMWFEESA-N 2 2 224.348 1.141 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925629336 646373484 /nfs/dbraw/zinc/37/34/84/646373484.db2.gz JOJPFSVBDRKYOI-KCQAQPDRSA-N 2 2 248.370 1.849 20 30 BDEDLP C=CCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000925685048 646410249 /nfs/dbraw/zinc/41/02/49/646410249.db2.gz CYACDAUIONYCMI-CYBMUJFWSA-N 2 2 238.375 1.701 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925721591 646446951 /nfs/dbraw/zinc/44/69/51/646446951.db2.gz OORWXZQIQKHQAM-NSHDSACASA-N 2 2 212.337 1.167 20 30 BDEDLP C=CCCC(C)(C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925725375 646449176 /nfs/dbraw/zinc/44/91/76/646449176.db2.gz STOJKANBCXTCBM-LBPRGKRZSA-N 2 2 226.364 1.557 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000925783375 646479190 /nfs/dbraw/zinc/47/91/90/646479190.db2.gz JYIBPHWHEWAJFS-WRWGMCAJSA-N 2 2 207.321 1.266 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926116704 646578072 /nfs/dbraw/zinc/57/80/72/646578072.db2.gz SWPQLFCIXLLFQF-ZIAGYGMSSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926116704 646578076 /nfs/dbraw/zinc/57/80/76/646578076.db2.gz SWPQLFCIXLLFQF-ZIAGYGMSSA-N 2 2 238.375 1.796 20 30 BDEDLP C#C[C@](C)(CC)[NH2+]CCCn1cc[nH+]c1 ZINC000384180802 710807428 /nfs/dbraw/zinc/80/74/28/710807428.db2.gz PYUXEOFJYHQEKG-GFCCVEGCSA-N 2 2 205.305 1.665 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840303 711153404 /nfs/dbraw/zinc/15/34/04/711153404.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840303 711153406 /nfs/dbraw/zinc/15/34/06/711153406.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392840303 711153407 /nfs/dbraw/zinc/15/34/07/711153407.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392840303 711153410 /nfs/dbraw/zinc/15/34/10/711153410.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 3 2 249.402 1.158 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC#N ZINC000718919919 712787921 /nfs/dbraw/zinc/78/79/21/712787921.db2.gz RJCQMWDUYVCNHN-NWDGAFQWSA-N 2 2 207.321 1.459 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC#N ZINC000718919919 712787923 /nfs/dbraw/zinc/78/79/23/712787923.db2.gz RJCQMWDUYVCNHN-NWDGAFQWSA-N 2 2 207.321 1.459 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC#N ZINC000718919919 712787925 /nfs/dbraw/zinc/78/79/25/712787925.db2.gz RJCQMWDUYVCNHN-NWDGAFQWSA-N 2 2 207.321 1.459 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC#N ZINC000718919919 712787927 /nfs/dbraw/zinc/78/79/27/712787927.db2.gz RJCQMWDUYVCNHN-NWDGAFQWSA-N 2 2 207.321 1.459 20 30 BDEDLP C#CCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720433466 712842191 /nfs/dbraw/zinc/84/21/91/712842191.db2.gz QHSCPIAHBGIZMP-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720433466 712842193 /nfs/dbraw/zinc/84/21/93/712842193.db2.gz QHSCPIAHBGIZMP-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720433466 712842194 /nfs/dbraw/zinc/84/21/94/712842194.db2.gz QHSCPIAHBGIZMP-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720433466 712842196 /nfs/dbraw/zinc/84/21/96/712842196.db2.gz QHSCPIAHBGIZMP-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001209267565 969419679 /nfs/dbraw/zinc/41/96/79/969419679.db2.gz JGOAXVSMKORSHW-UHFFFAOYSA-N 2 2 205.305 1.618 20 30 BDEDLP C#CCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001209267565 969419680 /nfs/dbraw/zinc/41/96/80/969419680.db2.gz JGOAXVSMKORSHW-UHFFFAOYSA-N 2 2 205.305 1.618 20 30 BDEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000402134345 970765287 /nfs/dbraw/zinc/76/52/87/970765287.db2.gz GIJVOBSBUVKHFW-ZIAGYGMSSA-N 2 2 245.326 1.015 20 30 BDEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000402134345 970765294 /nfs/dbraw/zinc/76/52/94/970765294.db2.gz GIJVOBSBUVKHFW-ZIAGYGMSSA-N 2 2 245.326 1.015 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001246109790 972175121 /nfs/dbraw/zinc/17/51/21/972175121.db2.gz KZKWSUBDRUUHQK-GRYCIOLGSA-N 2 2 209.337 1.656 20 30 BDEDLP CCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001204956351 962242052 /nfs/dbraw/zinc/24/20/52/962242052.db2.gz NIBWNRQPUXQDRI-STQMWFEESA-N 2 2 228.380 1.741 20 30 BDEDLP CCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001204956351 962242073 /nfs/dbraw/zinc/24/20/73/962242073.db2.gz NIBWNRQPUXQDRI-STQMWFEESA-N 2 2 228.380 1.741 20 30 BDEDLP N#CCc1cc[nH+]c(NC/C=C/C[NH3+])c1 ZINC001160982685 964467222 /nfs/dbraw/zinc/46/72/22/964467222.db2.gz ICDOARLJJZGEHD-OWOJBTEDSA-N 2 2 202.261 1.074 20 30 BDEDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1CC#N ZINC001205196849 967423121 /nfs/dbraw/zinc/42/31/21/967423121.db2.gz CFQPLJHXCJHBRW-BXUZGUMPSA-N 2 2 229.327 1.674 20 30 BDEDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1CC#N ZINC001205196849 967423126 /nfs/dbraw/zinc/42/31/26/967423126.db2.gz CFQPLJHXCJHBRW-BXUZGUMPSA-N 2 2 229.327 1.674 20 30 BDEDLP C=CCc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206058551 968025861 /nfs/dbraw/zinc/02/58/61/968025861.db2.gz DPYMESAGRDOQTH-BXUZGUMPSA-N 2 2 246.354 1.900 20 30 BDEDLP C=CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206058551 968025875 /nfs/dbraw/zinc/02/58/75/968025875.db2.gz DPYMESAGRDOQTH-BXUZGUMPSA-N 2 2 246.354 1.900 20 30 BDEDLP C=C[C@H](O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001253585764 969266861 /nfs/dbraw/zinc/26/68/61/969266861.db2.gz BVXLARROUVOVKB-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=C[C@H](O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001253585764 969266870 /nfs/dbraw/zinc/26/68/70/969266870.db2.gz BVXLARROUVOVKB-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP N#CC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209728873 969583386 /nfs/dbraw/zinc/58/33/86/969583386.db2.gz WZEIUVKOCZYSNV-UHFFFAOYSA-N 2 2 216.288 1.230 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001254651021 969763359 /nfs/dbraw/zinc/76/33/59/969763359.db2.gz ZQJQJAOFMJAOMP-IHRRRGAJSA-N 2 2 233.359 1.753 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001254651021 969763363 /nfs/dbraw/zinc/76/33/63/969763363.db2.gz ZQJQJAOFMJAOMP-IHRRRGAJSA-N 2 2 233.359 1.753 20 30 BDEDLP CC[C@H](CC#N)n1c[nH+]c(C)c1CC[NH3+] ZINC001255152971 969959893 /nfs/dbraw/zinc/95/98/93/969959893.db2.gz LQFILMPRHGJGNP-SNVBAGLBSA-N 2 2 206.293 1.558 20 30 BDEDLP C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@H](C)[NH3+] ZINC001327857269 972760982 /nfs/dbraw/zinc/76/09/82/972760982.db2.gz ZQWKDROYAVPKSQ-CZWNDGCPSA-N 2 2 243.354 1.936 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172295165 974566432 /nfs/dbraw/zinc/56/64/32/974566432.db2.gz PTMYRXOOUBMNTI-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172295165 974566442 /nfs/dbraw/zinc/56/64/42/974566442.db2.gz PTMYRXOOUBMNTI-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP C=CCOC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001173308360 975218156 /nfs/dbraw/zinc/21/81/56/975218156.db2.gz IXQNEXURPYBTOF-UHFFFAOYSA-N 2 2 249.358 1.987 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 ZINC001336821040 977984332 /nfs/dbraw/zinc/98/43/32/977984332.db2.gz YCESLXBIIAWBES-VXGBXAGGSA-N 2 2 243.314 1.231 20 30 BDEDLP C[NH+]1CC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233047792 978434340 /nfs/dbraw/zinc/43/43/40/978434340.db2.gz LCXCJLWHCVGYCR-UHFFFAOYSA-N 2 2 244.342 1.414 20 30 BDEDLP C=C[C@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001253598444 986227842 /nfs/dbraw/zinc/22/78/42/986227842.db2.gz TWJZHJPBCIVCBI-HNNXBMFYSA-N 2 2 246.354 1.255 20 30 BDEDLP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001246072856 987359752 /nfs/dbraw/zinc/35/97/52/987359752.db2.gz XLDYKIDPJNHJPL-KGLIPLIRSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001246072856 987359759 /nfs/dbraw/zinc/35/97/59/987359759.db2.gz XLDYKIDPJNHJPL-KGLIPLIRSA-N 2 2 240.391 1.907 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246136903 987489905 /nfs/dbraw/zinc/48/99/05/987489905.db2.gz YNILVTKYMAUENL-OUAUKWLOSA-N 2 2 205.305 1.020 20 30 BDEDLP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cn1 ZINC001246220325 987617635 /nfs/dbraw/zinc/61/76/35/987617635.db2.gz CQDUKSICMDNXLZ-ZACCUICWSA-N 2 2 248.305 1.209 20 30 BDEDLP N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC001246309166 987708591 /nfs/dbraw/zinc/70/85/91/987708591.db2.gz UOFKBRLOUHAHEJ-SWLSCSKDSA-N 2 2 241.338 1.887 20 30 BDEDLP C#CCCC1(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)N=N1 ZINC001246516447 987865303 /nfs/dbraw/zinc/86/53/03/987865303.db2.gz TZQUQJNZZXLSKK-NEPJUHHUSA-N 2 2 234.347 1.682 20 30 BDEDLP C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563769 988003018 /nfs/dbraw/zinc/00/30/18/988003018.db2.gz BVHLMJBEOQNUJL-RHYQMDGZSA-N 2 2 207.321 1.348 20 30 BDEDLP C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563769 988003034 /nfs/dbraw/zinc/00/30/34/988003034.db2.gz BVHLMJBEOQNUJL-RHYQMDGZSA-N 2 2 207.321 1.348 20 30 BDEDLP C=CCOCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001326241256 989442951 /nfs/dbraw/zinc/44/29/51/989442951.db2.gz YYGUARNCKKNQFX-UHFFFAOYSA-N 2 2 240.391 1.995 20 30 BDEDLP C#CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001574583172 992879460 /nfs/dbraw/zinc/87/94/60/992879460.db2.gz HDPWJRDEXSOLOE-HUUCEWRRSA-N 2 2 228.339 1.745 20 30 BDEDLP C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2OC)C1 ZINC001574900250 992943279 /nfs/dbraw/zinc/94/32/79/992943279.db2.gz UDOQULJYPSUGPA-UMSGYPCISA-N 2 2 224.348 1.308 20 30 BDEDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000037749427 398148022 /nfs/dbraw/zinc/14/80/22/398148022.db2.gz GNMUQPWXKRZZQG-SMDDNHRTSA-N 2 2 247.342 1.131 20 30 BDEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC#N)C1 ZINC000260093251 349639924 /nfs/dbraw/zinc/63/99/24/349639924.db2.gz MZFZOXRNEQLLPM-LBPRGKRZSA-N 2 2 209.337 1.610 20 30 BDEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC#N)C1 ZINC000260093251 349639929 /nfs/dbraw/zinc/63/99/29/349639929.db2.gz MZFZOXRNEQLLPM-LBPRGKRZSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1C ZINC000602644579 349656945 /nfs/dbraw/zinc/65/69/45/349656945.db2.gz ZBSDFXCZZCNOLD-MNOVXSKESA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1C ZINC000602644579 349656949 /nfs/dbraw/zinc/65/69/49/349656949.db2.gz ZBSDFXCZZCNOLD-MNOVXSKESA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CC1([NH+](C)C)CC1 ZINC000602693604 349691048 /nfs/dbraw/zinc/69/10/48/349691048.db2.gz CIYJLDFHNFFHAI-LLVKDONJSA-N 2 2 209.337 1.610 20 30 BDEDLP C=CC[C@H](CC)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000393767248 259356153 /nfs/dbraw/zinc/35/61/53/259356153.db2.gz COCILJFWVNKBAL-FRRDWIJNSA-N 2 2 226.364 1.698 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000306522402 343839239 /nfs/dbraw/zinc/83/92/39/343839239.db2.gz LTPHLHHCZCREKH-NXEZZACHSA-N 2 2 200.713 1.423 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000306522402 343839240 /nfs/dbraw/zinc/83/92/40/343839240.db2.gz LTPHLHHCZCREKH-NXEZZACHSA-N 2 2 200.713 1.423 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739226 343903563 /nfs/dbraw/zinc/90/35/63/343903563.db2.gz RKXUSLVNCZBIRR-QMTHXVAHSA-N 2 2 247.317 1.737 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739226 343903565 /nfs/dbraw/zinc/90/35/65/343903565.db2.gz RKXUSLVNCZBIRR-QMTHXVAHSA-N 2 2 247.317 1.737 20 30 BDEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C ZINC000126769833 344183841 /nfs/dbraw/zinc/18/38/41/344183841.db2.gz PBXJOMRPTNKXED-LLVKDONJSA-N 2 2 211.353 1.856 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119808189 344595994 /nfs/dbraw/zinc/59/59/94/344595994.db2.gz NYYXUZXLEOEWGQ-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP CC#CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119808189 344595997 /nfs/dbraw/zinc/59/59/97/344595997.db2.gz NYYXUZXLEOEWGQ-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP C#CC[NH+](CC#C)CCC[NH+]1CCCC1 ZINC000119231742 344842781 /nfs/dbraw/zinc/84/27/81/344842781.db2.gz JGTRERCZRFUYCE-UHFFFAOYSA-N 2 2 204.317 1.041 20 30 BDEDLP C=CCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926259 345566095 /nfs/dbraw/zinc/56/60/95/345566095.db2.gz RAAMQVFIXVPCEZ-UHFFFAOYSA-N 2 2 234.347 1.508 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363879298 347138297 /nfs/dbraw/zinc/13/82/97/347138297.db2.gz LFEVCZBZYPWOPV-ZDUSSCGKSA-N 2 2 249.358 1.916 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCC#N ZINC000309774138 347161016 /nfs/dbraw/zinc/16/10/16/347161016.db2.gz LFZTYAGUYCCQTM-AAEUAGOBSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCC#N ZINC000309774138 347161018 /nfs/dbraw/zinc/16/10/18/347161018.db2.gz LFZTYAGUYCCQTM-AAEUAGOBSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CCCCC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000309903172 347198420 /nfs/dbraw/zinc/19/84/20/347198420.db2.gz IVFNZXAJRWFAPG-ZDUSSCGKSA-N 2 2 226.364 1.653 20 30 BDEDLP C=CCCCC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000309903172 347198421 /nfs/dbraw/zinc/19/84/21/347198421.db2.gz IVFNZXAJRWFAPG-ZDUSSCGKSA-N 2 2 226.364 1.653 20 30 BDEDLP C=CCCCC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000309903170 347198607 /nfs/dbraw/zinc/19/86/07/347198607.db2.gz IVFNZXAJRWFAPG-CYBMUJFWSA-N 2 2 226.364 1.653 20 30 BDEDLP C=CCCCC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000309903170 347198609 /nfs/dbraw/zinc/19/86/09/347198609.db2.gz IVFNZXAJRWFAPG-CYBMUJFWSA-N 2 2 226.364 1.653 20 30 BDEDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C#N)cc1F ZINC000591580640 347677487 /nfs/dbraw/zinc/67/74/87/347677487.db2.gz CWJHLAAPGDRUBT-DTWKUNHWSA-N 2 2 221.279 1.695 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595844074 348381204 /nfs/dbraw/zinc/38/12/04/348381204.db2.gz QECLJUVFNWTXQO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595844074 348381206 /nfs/dbraw/zinc/38/12/06/348381206.db2.gz QECLJUVFNWTXQO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844074 348381207 /nfs/dbraw/zinc/38/12/07/348381207.db2.gz QECLJUVFNWTXQO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844074 348381208 /nfs/dbraw/zinc/38/12/08/348381208.db2.gz QECLJUVFNWTXQO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000596652031 348606358 /nfs/dbraw/zinc/60/63/58/348606358.db2.gz FFDIVEWHXTYNMT-WDEREUQCSA-N 2 2 217.316 1.817 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000596654183 348607908 /nfs/dbraw/zinc/60/79/08/348607908.db2.gz HKWLSDUHIMMMSV-HZMBPMFUSA-N 2 2 229.327 1.743 20 30 BDEDLP C[C@H](C#N)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597082932 348658916 /nfs/dbraw/zinc/65/89/16/348658916.db2.gz OJLAIDFZDYTCEA-LLVKDONJSA-N 2 2 241.298 1.517 20 30 BDEDLP C[C@@](C[NH3+])([NH2+]Cc1ccccc1C#N)C1CC1 ZINC000598680272 349021802 /nfs/dbraw/zinc/02/18/02/349021802.db2.gz UREKUAMAPQYKNT-AWEZNQCLSA-N 2 2 229.327 1.775 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000599087250 349090951 /nfs/dbraw/zinc/09/09/51/349090951.db2.gz GZMBWVPBSXUCHN-WOPDTQHZSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000599087250 349090952 /nfs/dbraw/zinc/09/09/52/349090952.db2.gz GZMBWVPBSXUCHN-WOPDTQHZSA-N 2 2 207.321 1.362 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329724868 350299318 /nfs/dbraw/zinc/29/93/18/350299318.db2.gz BQPFMYUUWCJYMA-WOPDTQHZSA-N 2 2 244.342 1.939 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329724868 350299323 /nfs/dbraw/zinc/29/93/23/350299323.db2.gz BQPFMYUUWCJYMA-WOPDTQHZSA-N 2 2 244.342 1.939 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1C ZINC000129174381 351007859 /nfs/dbraw/zinc/00/78/59/351007859.db2.gz RTKVBEDSSAVGLX-GHMZBOCLSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1C ZINC000129174381 351007860 /nfs/dbraw/zinc/00/78/60/351007860.db2.gz RTKVBEDSSAVGLX-GHMZBOCLSA-N 2 2 209.337 1.608 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000159673863 350971234 /nfs/dbraw/zinc/97/12/34/350971234.db2.gz KVBNWDPOSKZFQD-CQSZACIVSA-N 2 2 229.327 1.727 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000159673863 350971237 /nfs/dbraw/zinc/97/12/37/350971237.db2.gz KVBNWDPOSKZFQD-CQSZACIVSA-N 2 2 229.327 1.727 20 30 BDEDLP C[C@H](CCC#N)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000278506494 351767634 /nfs/dbraw/zinc/76/76/34/351767634.db2.gz AWAFQGVMWHPLLO-GFCCVEGCSA-N 2 2 247.346 1.234 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC#N ZINC000336758973 353169041 /nfs/dbraw/zinc/16/90/41/353169041.db2.gz LBSUOGWNZCWBOI-CMPLNLGQSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC#N ZINC000336758973 353169045 /nfs/dbraw/zinc/16/90/45/353169045.db2.gz LBSUOGWNZCWBOI-CMPLNLGQSA-N 2 2 207.321 1.362 20 30 BDEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336761769 353175794 /nfs/dbraw/zinc/17/57/94/353175794.db2.gz KUHMEJDJSJMMTR-YNEHKIRRSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336761769 353175795 /nfs/dbraw/zinc/17/57/95/353175795.db2.gz KUHMEJDJSJMMTR-YNEHKIRRSA-N 2 2 221.348 1.753 20 30 BDEDLP C#CC[NH+](CC#C)CCC[NH+]1CCCCC1 ZINC000161346369 353280771 /nfs/dbraw/zinc/28/07/71/353280771.db2.gz BKTVCCPMXQONNS-UHFFFAOYSA-N 2 2 218.344 1.431 20 30 BDEDLP C=C[C@@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000289438345 353628387 /nfs/dbraw/zinc/62/83/87/353628387.db2.gz AKJBNQOEETXCLI-NSHDSACASA-N 2 2 231.299 1.279 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(C)(C)C ZINC000290288508 353654043 /nfs/dbraw/zinc/65/40/43/353654043.db2.gz ZYUHNOTZLSUMQE-LLVKDONJSA-N 2 2 205.305 1.558 20 30 BDEDLP C=CC[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000290482576 353657556 /nfs/dbraw/zinc/65/75/56/353657556.db2.gz VJTHCPGQCDNYKC-AWEZNQCLSA-N 2 2 234.343 1.849 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293747137 353756607 /nfs/dbraw/zinc/75/66/07/353756607.db2.gz IJISHQDJUMHPJV-ZIAGYGMSSA-N 2 2 249.358 1.969 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293747137 353756608 /nfs/dbraw/zinc/75/66/08/353756608.db2.gz IJISHQDJUMHPJV-ZIAGYGMSSA-N 2 2 249.358 1.969 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684414 181110269 /nfs/dbraw/zinc/11/02/69/181110269.db2.gz DTVZNFBHBIEAGL-AWEZNQCLSA-N 2 2 241.338 1.885 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684414 181110270 /nfs/dbraw/zinc/11/02/70/181110270.db2.gz DTVZNFBHBIEAGL-AWEZNQCLSA-N 2 2 241.338 1.885 20 30 BDEDLP N#Cc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126793 181137760 /nfs/dbraw/zinc/13/77/60/181137760.db2.gz FRVDMOIZVDIRFL-UHFFFAOYSA-N 2 2 229.327 1.744 20 30 BDEDLP C=C(C)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000352007762 134035407 /nfs/dbraw/zinc/03/54/07/134035407.db2.gz YVOCFZROLQVIRT-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP C=C(C)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000352007762 134035408 /nfs/dbraw/zinc/03/54/08/134035408.db2.gz YVOCFZROLQVIRT-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC#N)C1 ZINC000350149175 355615337 /nfs/dbraw/zinc/61/53/37/355615337.db2.gz DTHKXMCUMZMHIK-ZDUSSCGKSA-N 2 2 239.363 1.333 20 30 BDEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC#N)C1 ZINC000350149175 355615339 /nfs/dbraw/zinc/61/53/39/355615339.db2.gz DTHKXMCUMZMHIK-ZDUSSCGKSA-N 2 2 239.363 1.333 20 30 BDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450474959 202174821 /nfs/dbraw/zinc/17/48/21/202174821.db2.gz UIPRDPWWLGHRCX-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450474959 202174823 /nfs/dbraw/zinc/17/48/23/202174823.db2.gz UIPRDPWWLGHRCX-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450474959 202174826 /nfs/dbraw/zinc/17/48/26/202174826.db2.gz UIPRDPWWLGHRCX-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450474959 202174827 /nfs/dbraw/zinc/17/48/27/202174827.db2.gz UIPRDPWWLGHRCX-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCCC#N)[C@H]2C1 ZINC000361107544 134203611 /nfs/dbraw/zinc/20/36/11/134203611.db2.gz QAXBLXHQDSLMTH-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CC[C@H]2CC[NH+](CCCC#N)[C@H]2C1 ZINC000361107544 134203612 /nfs/dbraw/zinc/20/36/12/134203612.db2.gz QAXBLXHQDSLMTH-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@H]2CC[N@H+](CCCC#N)[C@H]2C1 ZINC000361107544 134203613 /nfs/dbraw/zinc/20/36/13/134203613.db2.gz QAXBLXHQDSLMTH-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCCC#N)[C@H]2C1 ZINC000361107544 134203614 /nfs/dbraw/zinc/20/36/14/134203614.db2.gz QAXBLXHQDSLMTH-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP CCCNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000170910074 134254809 /nfs/dbraw/zinc/25/48/09/134254809.db2.gz WKJHXYYNVFQNHN-UHFFFAOYSA-N 2 2 248.374 1.433 20 30 BDEDLP CCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000170910074 134254810 /nfs/dbraw/zinc/25/48/10/134254810.db2.gz WKJHXYYNVFQNHN-UHFFFAOYSA-N 2 2 248.374 1.433 20 30 BDEDLP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(C#N)cc1F ZINC000423306464 192694823 /nfs/dbraw/zinc/69/48/23/192694823.db2.gz TZAXLUITAUDNDD-VIFPVBQESA-N 2 2 233.290 1.567 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000566412111 326038893 /nfs/dbraw/zinc/03/88/93/326038893.db2.gz BZPOLOWFWHDQCP-STQMWFEESA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000566412111 326038895 /nfs/dbraw/zinc/03/88/95/326038895.db2.gz BZPOLOWFWHDQCP-STQMWFEESA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566412111 326038897 /nfs/dbraw/zinc/03/88/97/326038897.db2.gz BZPOLOWFWHDQCP-STQMWFEESA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566412111 326038898 /nfs/dbraw/zinc/03/88/98/326038898.db2.gz BZPOLOWFWHDQCP-STQMWFEESA-N 2 2 226.364 1.340 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459659857 203330072 /nfs/dbraw/zinc/33/00/72/203330072.db2.gz ABVHQVIATZPPDF-DGCLKSJQSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459659857 203330074 /nfs/dbraw/zinc/33/00/74/203330074.db2.gz ABVHQVIATZPPDF-DGCLKSJQSA-N 2 2 235.375 1.999 20 30 BDEDLP N#Cc1ccc(C[NH+]2CCC([NH3+])CC2)o1 ZINC000600767829 369562405 /nfs/dbraw/zinc/56/24/05/369562405.db2.gz DQRVHXSIOBMYHE-UHFFFAOYSA-N 2 2 205.261 1.074 20 30 BDEDLP C=CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334903 371485312 /nfs/dbraw/zinc/48/53/12/371485312.db2.gz HVOOBPWQUBVFJC-OLZOCXBDSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334903 371485317 /nfs/dbraw/zinc/48/53/17/371485317.db2.gz HVOOBPWQUBVFJC-OLZOCXBDSA-N 2 2 226.364 1.387 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000334740095 383942346 /nfs/dbraw/zinc/94/23/46/383942346.db2.gz UHSKMIPEWIITFI-UHFFFAOYSA-N 2 2 247.317 1.881 20 30 BDEDLP C#CC[NH+](CC#C)CCCc1ccc(C)[nH+]c1 ZINC000490716983 384352844 /nfs/dbraw/zinc/35/28/44/384352844.db2.gz AALDCQNLVOSHPN-UHFFFAOYSA-N 2 2 226.323 1.891 20 30 BDEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000070160764 384444388 /nfs/dbraw/zinc/44/43/88/384444388.db2.gz VGEZKRWOACAUGT-UHFFFAOYSA-N 2 2 231.343 1.942 20 30 BDEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000070160764 384444393 /nfs/dbraw/zinc/44/43/93/384444393.db2.gz VGEZKRWOACAUGT-UHFFFAOYSA-N 2 2 231.343 1.942 20 30 BDEDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043326265 384765129 /nfs/dbraw/zinc/76/51/29/384765129.db2.gz WJBTZHWZDFYFGZ-SMDDNHRTSA-N 2 2 229.327 1.961 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000308865295 385231343 /nfs/dbraw/zinc/23/13/43/385231343.db2.gz FCASWWKWCVXDMW-NEPJUHHUSA-N 2 2 207.321 1.364 20 30 BDEDLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000309485440 385614007 /nfs/dbraw/zinc/61/40/07/385614007.db2.gz GGFCNJPJGLFSPZ-UHFFFAOYSA-N 2 2 216.244 1.175 20 30 BDEDLP C=CCCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000336653222 385666449 /nfs/dbraw/zinc/66/64/49/385666449.db2.gz JBBQTZSXBIHQIO-CHWSQXEVSA-N 2 2 226.364 1.699 20 30 BDEDLP CC#CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309664733 385777248 /nfs/dbraw/zinc/77/72/48/385777248.db2.gz HDRALGIRPWVARS-UHFFFAOYSA-N 2 2 237.372 1.708 20 30 BDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+](C)C ZINC000291724059 385931506 /nfs/dbraw/zinc/93/15/06/385931506.db2.gz MXXMSBFXAVUZND-NSHDSACASA-N 2 2 249.333 1.985 20 30 BDEDLP C#CC[NH+]1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000301694665 533157197 /nfs/dbraw/zinc/15/71/97/533157197.db2.gz OZPXTQBWOYULES-UHFFFAOYSA-N 2 2 244.342 1.157 20 30 BDEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000336774160 386348076 /nfs/dbraw/zinc/34/80/76/386348076.db2.gz ZHTDBXUWIMDIKF-UTUOFQBUSA-N 2 2 209.337 1.608 20 30 BDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246356457 387078241 /nfs/dbraw/zinc/07/82/41/387078241.db2.gz WVFCKHMPLMIICF-NWDGAFQWSA-N 2 2 203.289 1.399 20 30 BDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246356457 387078242 /nfs/dbraw/zinc/07/82/42/387078242.db2.gz WVFCKHMPLMIICF-NWDGAFQWSA-N 2 2 203.289 1.399 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000514938397 387319004 /nfs/dbraw/zinc/31/90/04/387319004.db2.gz BHTVYJDLQNZNGA-WFASDCNBSA-N 2 2 243.354 1.840 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422975642 387823849 /nfs/dbraw/zinc/82/38/49/387823849.db2.gz BRXCBJAFPMTRKE-CYZMBNFOSA-N 2 2 224.348 1.308 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442779875 387838320 /nfs/dbraw/zinc/83/83/20/387838320.db2.gz MCVZGJZORIEMBH-JSGCOSHPSA-N 2 2 233.359 1.919 20 30 BDEDLP C=CCCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423045601 387855201 /nfs/dbraw/zinc/85/52/01/387855201.db2.gz CHZZBRAKOVFFDW-UONOGXRCSA-N 2 2 238.375 1.699 20 30 BDEDLP C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423105699 387890598 /nfs/dbraw/zinc/89/05/98/387890598.db2.gz ZINRFWRQPCUVGY-RYUDHWBXSA-N 2 2 221.348 1.800 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000423092177 387883392 /nfs/dbraw/zinc/88/33/92/387883392.db2.gz AUYJAGSEJXKHEG-MNOVXSKESA-N 2 2 207.321 1.268 20 30 BDEDLP CC#CCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000156483811 387982857 /nfs/dbraw/zinc/98/28/57/387982857.db2.gz RKGWEZNNZAJDEY-UHFFFAOYSA-N 2 2 243.354 1.925 20 30 BDEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+](C)C ZINC000449227205 388159713 /nfs/dbraw/zinc/15/97/13/388159713.db2.gz SZJYCXQFKGNIJV-PNESKVBLSA-N 2 2 223.364 1.999 20 30 BDEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000309999171 388471814 /nfs/dbraw/zinc/47/18/14/388471814.db2.gz DEGUHRNPDAEVEQ-LBPRGKRZSA-N 2 2 224.348 1.099 20 30 BDEDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423321772 388691399 /nfs/dbraw/zinc/69/13/99/388691399.db2.gz FXFIRBITKOWBGN-LBPRGKRZSA-N 2 2 247.342 1.445 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423339367 388691652 /nfs/dbraw/zinc/69/16/52/388691652.db2.gz WNSCXLBNTGPSFF-RKDXNWHRSA-N 2 2 221.279 1.695 20 30 BDEDLP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000333232616 132309864 /nfs/dbraw/zinc/30/98/64/132309864.db2.gz CJCXPPIUXBKDOL-DGCLKSJQSA-N 2 2 242.326 1.307 20 30 BDEDLP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000378319653 134245709 /nfs/dbraw/zinc/24/57/09/134245709.db2.gz YAKDRHIVQCYGQK-KGLIPLIRSA-N 2 2 220.360 1.957 20 30 BDEDLP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000378319653 134245710 /nfs/dbraw/zinc/24/57/10/134245710.db2.gz YAKDRHIVQCYGQK-KGLIPLIRSA-N 2 2 220.360 1.957 20 30 BDEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000378319653 134245711 /nfs/dbraw/zinc/24/57/11/134245711.db2.gz YAKDRHIVQCYGQK-KGLIPLIRSA-N 2 2 220.360 1.957 20 30 BDEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000378319653 134245712 /nfs/dbraw/zinc/24/57/12/134245712.db2.gz YAKDRHIVQCYGQK-KGLIPLIRSA-N 2 2 220.360 1.957 20 30 BDEDLP CCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264075088 135131830 /nfs/dbraw/zinc/13/18/30/135131830.db2.gz GYFJZFGIDAXLFH-ZDUSSCGKSA-N 2 2 248.374 1.604 20 30 BDEDLP Cn1c[nH+]cc1CO[NH+]=C(N)C1CCCCC1 ZINC000267755325 135156174 /nfs/dbraw/zinc/15/61/74/135156174.db2.gz IFRDWZYSZDJSIK-UHFFFAOYSA-N 2 2 236.319 1.789 20 30 BDEDLP C=C(C)CNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000270002895 135169243 /nfs/dbraw/zinc/16/92/43/135169243.db2.gz YPWLVIMHTOKRQA-UHFFFAOYSA-N 2 2 232.331 1.413 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](CCC#N)CC1CC1 ZINC000270675383 135173218 /nfs/dbraw/zinc/17/32/18/135173218.db2.gz SLMOPSYVWZBDTE-UHFFFAOYSA-N 2 2 232.331 1.817 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](CCC#N)CC1CC1 ZINC000270675383 135173219 /nfs/dbraw/zinc/17/32/19/135173219.db2.gz SLMOPSYVWZBDTE-UHFFFAOYSA-N 2 2 232.331 1.817 20 30 BDEDLP C[C@@H]1C[NH+]=C(NCC[N@H+](C)Cc2ccccc2)N1 ZINC000262474631 135301373 /nfs/dbraw/zinc/30/13/73/135301373.db2.gz BWGMVCNCKDLWJF-GFCCVEGCSA-N 2 2 246.358 1.056 20 30 BDEDLP C[C@@H]1C[NH+]=C(NCC[N@@H+](C)Cc2ccccc2)N1 ZINC000262474631 135301375 /nfs/dbraw/zinc/30/13/75/135301375.db2.gz BWGMVCNCKDLWJF-GFCCVEGCSA-N 2 2 246.358 1.056 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000295125780 135378274 /nfs/dbraw/zinc/37/82/74/135378274.db2.gz ZFAUFJZQUUCONJ-NSHDSACASA-N 2 2 220.320 1.015 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000295125780 135378275 /nfs/dbraw/zinc/37/82/75/135378275.db2.gz ZFAUFJZQUUCONJ-NSHDSACASA-N 2 2 220.320 1.015 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000295105030 135378802 /nfs/dbraw/zinc/37/88/02/135378802.db2.gz WNWXITVNLMWRNY-GFCCVEGCSA-N 2 2 248.374 1.334 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000295105030 135378804 /nfs/dbraw/zinc/37/88/04/135378804.db2.gz WNWXITVNLMWRNY-GFCCVEGCSA-N 2 2 248.374 1.334 20 30 BDEDLP N#Cc1csc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000309607952 397922735 /nfs/dbraw/zinc/92/27/35/397922735.db2.gz YMTJHCGOGHCPQT-QWRGUYRKSA-N 2 2 233.340 1.271 20 30 BDEDLP C#CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268702712 166136789 /nfs/dbraw/zinc/13/67/89/166136789.db2.gz KQAXQYKRMZDDPL-UHFFFAOYSA-N 2 2 203.289 1.612 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658209557 411294671 /nfs/dbraw/zinc/29/46/71/411294671.db2.gz HBVOBRNEMSVZSV-GXTWGEPZSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658209557 411294673 /nfs/dbraw/zinc/29/46/73/411294673.db2.gz HBVOBRNEMSVZSV-GXTWGEPZSA-N 2 2 238.375 1.651 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590553 411427842 /nfs/dbraw/zinc/42/78/42/411427842.db2.gz IZOHCJZTQGCTOK-RYUDHWBXSA-N 2 2 235.331 1.146 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590553 411427844 /nfs/dbraw/zinc/42/78/44/411427844.db2.gz IZOHCJZTQGCTOK-RYUDHWBXSA-N 2 2 235.331 1.146 20 30 BDEDLP C=CC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364186 411481038 /nfs/dbraw/zinc/48/10/38/411481038.db2.gz WBSYEZBPKROVMT-JTQLQIEISA-N 2 2 205.305 1.884 20 30 BDEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)COC ZINC000661242692 411742473 /nfs/dbraw/zinc/74/24/73/411742473.db2.gz SFNNYQXFFQRRIE-CYBMUJFWSA-N 2 2 237.347 1.796 20 30 BDEDLP C=CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)COC ZINC000661242692 411742475 /nfs/dbraw/zinc/74/24/75/411742475.db2.gz SFNNYQXFFQRRIE-CYBMUJFWSA-N 2 2 237.347 1.796 20 30 BDEDLP C=CC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662299492 412087359 /nfs/dbraw/zinc/08/73/59/412087359.db2.gz RJSFJPOMIVAIID-QWHCGFSZSA-N 2 2 224.348 1.263 20 30 BDEDLP C=CC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662299492 412087361 /nfs/dbraw/zinc/08/73/61/412087361.db2.gz RJSFJPOMIVAIID-QWHCGFSZSA-N 2 2 224.348 1.263 20 30 BDEDLP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000400470478 226344255 /nfs/dbraw/zinc/34/42/55/226344255.db2.gz XRCLEHQQJQEWFP-FZMZJTMJSA-N 2 2 229.327 1.788 20 30 BDEDLP C#CC(C)(C)[N@H+](C)Cc1cc[nH+]c(N)c1 ZINC000298675311 487681394 /nfs/dbraw/zinc/68/13/94/487681394.db2.gz YRRKOPJDVYODGA-UHFFFAOYSA-N 2 2 203.289 1.507 20 30 BDEDLP C#CC(C)(C)[N@@H+](C)Cc1cc[nH+]c(N)c1 ZINC000298675311 487681397 /nfs/dbraw/zinc/68/13/97/487681397.db2.gz YRRKOPJDVYODGA-UHFFFAOYSA-N 2 2 203.289 1.507 20 30 BDEDLP C=C(C)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000570970929 323102333 /nfs/dbraw/zinc/10/23/33/323102333.db2.gz VJDQJXRFOFUDSZ-UHFFFAOYSA-N 2 2 238.375 1.389 20 30 BDEDLP CCCC[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000571634557 323150162 /nfs/dbraw/zinc/15/01/62/323150162.db2.gz VVEWQTGFVJNDOC-UHFFFAOYSA-N 2 2 209.337 1.754 20 30 BDEDLP C=CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131662901 325176531 /nfs/dbraw/zinc/17/65/31/325176531.db2.gz VVNHUUNOWYTMEA-LBPRGKRZSA-N 2 2 204.273 1.721 20 30 BDEDLP C=CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131662901 325176533 /nfs/dbraw/zinc/17/65/33/325176533.db2.gz VVNHUUNOWYTMEA-LBPRGKRZSA-N 2 2 204.273 1.721 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313340898 326263480 /nfs/dbraw/zinc/26/34/80/326263480.db2.gz AWPYAWOFYSMVFX-CQSZACIVSA-N 2 2 245.326 1.108 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313340898 326263481 /nfs/dbraw/zinc/26/34/81/326263481.db2.gz AWPYAWOFYSMVFX-CQSZACIVSA-N 2 2 245.326 1.108 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCOC)C[C@@H]1C ZINC000677820495 487519556 /nfs/dbraw/zinc/51/95/56/487519556.db2.gz PITZXYVQKPGEFJ-KBPBESRZSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#CCOC)C[C@@H]1C ZINC000677820495 487519558 /nfs/dbraw/zinc/51/95/58/487519558.db2.gz PITZXYVQKPGEFJ-KBPBESRZSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#CCOC)C[C@@H]1C ZINC000677820495 487519561 /nfs/dbraw/zinc/51/95/61/487519561.db2.gz PITZXYVQKPGEFJ-KBPBESRZSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCOC)C[C@@H]1C ZINC000677820495 487519562 /nfs/dbraw/zinc/51/95/62/487519562.db2.gz PITZXYVQKPGEFJ-KBPBESRZSA-N 2 2 238.375 1.441 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000677819327 487515828 /nfs/dbraw/zinc/51/58/28/487515828.db2.gz YBHFHIYQNULRLK-LBPRGKRZSA-N 2 2 233.315 1.239 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000677819327 487515832 /nfs/dbraw/zinc/51/58/32/487515832.db2.gz YBHFHIYQNULRLK-LBPRGKRZSA-N 2 2 233.315 1.239 20 30 BDEDLP COCC#CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000677820253 487518112 /nfs/dbraw/zinc/51/81/12/487518112.db2.gz KOVMNAUJPUIAKR-STQMWFEESA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000677820253 487518116 /nfs/dbraw/zinc/51/81/16/487518116.db2.gz KOVMNAUJPUIAKR-STQMWFEESA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000677820253 487518120 /nfs/dbraw/zinc/51/81/20/487518120.db2.gz KOVMNAUJPUIAKR-STQMWFEESA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000677820253 487518125 /nfs/dbraw/zinc/51/81/25/487518125.db2.gz KOVMNAUJPUIAKR-STQMWFEESA-N 2 2 224.348 1.051 20 30 BDEDLP Cc1c[nH+]ccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436738 490148021 /nfs/dbraw/zinc/14/80/21/490148021.db2.gz GALCGOMCYYFQAT-LLVKDONJSA-N 2 2 246.314 1.162 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nn1 ZINC000655938384 490264697 /nfs/dbraw/zinc/26/46/97/490264697.db2.gz UQDTZWXCJYJIGS-NWDGAFQWSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nn1 ZINC000655938384 490264700 /nfs/dbraw/zinc/26/47/00/490264700.db2.gz UQDTZWXCJYJIGS-NWDGAFQWSA-N 2 2 249.362 1.023 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC000135679175 490451435 /nfs/dbraw/zinc/45/14/35/490451435.db2.gz CVJLMBGBPZCBCB-JTQLQIEISA-N 2 2 246.339 1.995 20 30 BDEDLP C=CCC(C)(C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000261555222 534552370 /nfs/dbraw/zinc/55/23/70/534552370.db2.gz PNBUWBBSLOVXIN-OLZOCXBDSA-N 2 2 240.391 1.945 20 30 BDEDLP C=CCOCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000339044027 534878116 /nfs/dbraw/zinc/87/81/16/534878116.db2.gz JVAUJPOVIGUGHQ-UHFFFAOYSA-N 2 2 235.331 1.792 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(C)(C)C#N ZINC000347775974 536363362 /nfs/dbraw/zinc/36/33/62/536363362.db2.gz HIZOVZSUNZLADY-UHFFFAOYSA-N 2 2 220.320 1.755 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)C#N ZINC000347775974 536363363 /nfs/dbraw/zinc/36/33/63/536363363.db2.gz HIZOVZSUNZLADY-UHFFFAOYSA-N 2 2 220.320 1.755 20 30 BDEDLP C#CC[N@@H+](CC)Cc1c(C)cc[nH+]c1N ZINC000893976444 583264726 /nfs/dbraw/zinc/26/47/26/583264726.db2.gz RVNABTKMSZWMIN-UHFFFAOYSA-N 2 2 203.289 1.427 20 30 BDEDLP C#CC[N@H+](CC)Cc1c(C)cc[nH+]c1N ZINC000893976444 583264730 /nfs/dbraw/zinc/26/47/30/583264730.db2.gz RVNABTKMSZWMIN-UHFFFAOYSA-N 2 2 203.289 1.427 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(F)c(C)c1 ZINC000894639861 583498588 /nfs/dbraw/zinc/49/85/88/583498588.db2.gz TXDZLDFHGOLPBU-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(F)c(C)c1 ZINC000894639861 583498590 /nfs/dbraw/zinc/49/85/90/583498590.db2.gz TXDZLDFHGOLPBU-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc(F)c1C ZINC000894863404 583535954 /nfs/dbraw/zinc/53/59/54/583535954.db2.gz BVXRIJRYQJWDSB-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc(F)c1C ZINC000894863404 583535955 /nfs/dbraw/zinc/53/59/55/583535955.db2.gz BVXRIJRYQJWDSB-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP CCc1nc(NCC#CC[NH+](C)C)cc[nH+]1 ZINC000894872476 583540039 /nfs/dbraw/zinc/54/00/39/583540039.db2.gz JLZVJBBGVOHXHM-UHFFFAOYSA-N 2 2 218.304 1.016 20 30 BDEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000896556577 583812827 /nfs/dbraw/zinc/81/28/27/583812827.db2.gz YMRBGQQWNQGUKC-IKWCTNDRSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000896556577 583812828 /nfs/dbraw/zinc/81/28/28/583812828.db2.gz YMRBGQQWNQGUKC-IKWCTNDRSA-N 2 2 221.348 1.751 20 30 BDEDLP C=CCCC[C@@H]([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000900017774 584266958 /nfs/dbraw/zinc/26/69/58/584266958.db2.gz SXIUKUXKZRXMTI-MRVPVSSYSA-N 2 2 222.292 1.374 20 30 BDEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000902443593 584598188 /nfs/dbraw/zinc/59/81/88/584598188.db2.gz LEZIDQBMTAWKKF-WOPDTQHZSA-N 2 2 221.348 1.656 20 30 BDEDLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902720044 584659443 /nfs/dbraw/zinc/65/94/43/584659443.db2.gz CSQKTUYVUWRSOS-LLVKDONJSA-N 2 2 232.331 1.556 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902780186 584669467 /nfs/dbraw/zinc/66/94/67/584669467.db2.gz CDRRNKQPHBFBMO-NEPJUHHUSA-N 2 2 246.358 1.944 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H]2CCC[C@@H]21 ZINC000903105395 584728072 /nfs/dbraw/zinc/72/80/72/584728072.db2.gz CASJXEGMWNABJG-AGIUHOORSA-N 2 2 233.359 1.753 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H]2CCC[C@@H]21 ZINC000903105395 584728074 /nfs/dbraw/zinc/72/80/74/584728074.db2.gz CASJXEGMWNABJG-AGIUHOORSA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903424709 584764245 /nfs/dbraw/zinc/76/42/45/584764245.db2.gz CRCDEYWVQPYTJT-SECBINFHSA-N 2 2 237.734 1.991 20 30 BDEDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903424709 584764246 /nfs/dbraw/zinc/76/42/46/584764246.db2.gz CRCDEYWVQPYTJT-SECBINFHSA-N 2 2 237.734 1.991 20 30 BDEDLP C=CCCC[N@@H+](CC)C[C@H]1C[NH2+]CCO1 ZINC000903850083 584808070 /nfs/dbraw/zinc/80/80/70/584808070.db2.gz JTVOXUOCKBRTFN-GFCCVEGCSA-N 2 2 212.337 1.263 20 30 BDEDLP C=CCCC[N@H+](CC)C[C@H]1C[NH2+]CCO1 ZINC000903850083 584808071 /nfs/dbraw/zinc/80/80/71/584808071.db2.gz JTVOXUOCKBRTFN-GFCCVEGCSA-N 2 2 212.337 1.263 20 30 BDEDLP C#C[C@@H]([NH2+]CCC[NH+](CC)CC)[C@H]1CCCO1 ZINC000755055727 585293947 /nfs/dbraw/zinc/29/39/47/585293947.db2.gz MUJLKVRUTZCGID-ZIAGYGMSSA-N 2 2 238.375 1.489 20 30 BDEDLP C#CCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000766895558 585509562 /nfs/dbraw/zinc/50/95/62/585509562.db2.gz LVUIRFMPLCCCPD-CYBMUJFWSA-N 2 2 217.316 1.933 20 30 BDEDLP C#CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000766895558 585509563 /nfs/dbraw/zinc/50/95/63/585509563.db2.gz LVUIRFMPLCCCPD-CYBMUJFWSA-N 2 2 217.316 1.933 20 30 BDEDLP C#C[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000769963535 585568063 /nfs/dbraw/zinc/56/80/63/585568063.db2.gz WAPBYGYGIAQKRD-GFCCVEGCSA-N 2 2 240.310 1.721 20 30 BDEDLP C#C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000769963535 585568064 /nfs/dbraw/zinc/56/80/64/585568064.db2.gz WAPBYGYGIAQKRD-GFCCVEGCSA-N 2 2 240.310 1.721 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027491 585569790 /nfs/dbraw/zinc/56/97/90/585569790.db2.gz UEDPHUHZMMVGLH-QWHCGFSZSA-N 2 2 249.358 1.537 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027491 585569791 /nfs/dbraw/zinc/56/97/91/585569791.db2.gz UEDPHUHZMMVGLH-QWHCGFSZSA-N 2 2 249.358 1.537 20 30 BDEDLP CN(C)c1ncc(C=[NH+]Nc2cc[nH+]cc2)s1 ZINC000779810075 585766187 /nfs/dbraw/zinc/76/61/87/585766187.db2.gz ZSOVZTRVLNLKRW-UHFFFAOYSA-N 2 2 247.327 1.472 20 30 BDEDLP O=C1C=C([NH2+]Nc2cc[nH+]cc2)[C@@H]2CCCCN12 ZINC000799485546 586179427 /nfs/dbraw/zinc/17/94/27/586179427.db2.gz RJGKNQBWOHYROT-LBPRGKRZSA-N 2 2 244.298 1.056 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000801918561 586276373 /nfs/dbraw/zinc/27/63/73/586276373.db2.gz RCMVIXCADZWDMX-QWHCGFSZSA-N 2 2 248.330 1.449 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000801918561 586276374 /nfs/dbraw/zinc/27/63/74/586276374.db2.gz RCMVIXCADZWDMX-QWHCGFSZSA-N 2 2 248.330 1.449 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000817903847 586837135 /nfs/dbraw/zinc/83/71/35/586837135.db2.gz MDXSEDOEDXBOMU-UWVGGRQHSA-N 2 2 202.729 1.989 20 30 BDEDLP CC[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1CCC[NH2+]1 ZINC000817932247 586843376 /nfs/dbraw/zinc/84/33/76/586843376.db2.gz STYKYFPPFMDUPE-KBPBESRZSA-N 2 2 244.342 1.573 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000826534888 587354070 /nfs/dbraw/zinc/35/40/70/587354070.db2.gz LVYLRVPWEAEEPD-GFCCVEGCSA-N 2 2 229.327 1.675 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000826534888 587354071 /nfs/dbraw/zinc/35/40/71/587354071.db2.gz LVYLRVPWEAEEPD-GFCCVEGCSA-N 2 2 229.327 1.675 20 30 BDEDLP C#CC[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000829814817 587519041 /nfs/dbraw/zinc/51/90/41/587519041.db2.gz ACTTWTYGKQSOTE-ZDUSSCGKSA-N 2 2 231.343 1.698 20 30 BDEDLP C#CC[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000829814817 587519042 /nfs/dbraw/zinc/51/90/42/587519042.db2.gz ACTTWTYGKQSOTE-ZDUSSCGKSA-N 2 2 231.343 1.698 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1CC)[C@@H]1CCCO1 ZINC000841872064 587979287 /nfs/dbraw/zinc/97/92/87/587979287.db2.gz IOWUCFYVOIWESA-STQMWFEESA-N 2 2 233.315 1.173 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1CC)[C@H]1CCCO1 ZINC000841872060 587979521 /nfs/dbraw/zinc/97/95/21/587979521.db2.gz IOWUCFYVOIWESA-CHWSQXEVSA-N 2 2 233.315 1.173 20 30 BDEDLP C#CCOCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000851852111 588634101 /nfs/dbraw/zinc/63/41/01/588634101.db2.gz JFTQAQJBDPFPPP-UHFFFAOYSA-N 2 2 233.315 1.239 20 30 BDEDLP Cc1[nH+]cc(C=NNc2cc[nH+]c(C)c2)n1C ZINC000863161250 589265430 /nfs/dbraw/zinc/26/54/30/589265430.db2.gz ZRNQSJRFOTZDBA-UHFFFAOYSA-N 2 2 229.287 1.300 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)o1 ZINC000872146735 589884677 /nfs/dbraw/zinc/88/46/77/589884677.db2.gz WEHPDOITDJWXMO-SMDDNHRTSA-N 2 2 245.326 1.725 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)o1 ZINC000872146735 589884679 /nfs/dbraw/zinc/88/46/79/589884679.db2.gz WEHPDOITDJWXMO-SMDDNHRTSA-N 2 2 245.326 1.725 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OC1CCC1 ZINC000872376400 589925711 /nfs/dbraw/zinc/92/57/11/589925711.db2.gz KCXKMBQHVBLLIG-UHFFFAOYSA-N 2 2 205.261 1.875 20 30 BDEDLP C=CC[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878135863 590505109 /nfs/dbraw/zinc/50/51/09/590505109.db2.gz QZJPOPNRNPWIRV-UONOGXRCSA-N 2 2 238.375 1.605 20 30 BDEDLP C=CC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878135863 590505110 /nfs/dbraw/zinc/50/51/10/590505110.db2.gz QZJPOPNRNPWIRV-UONOGXRCSA-N 2 2 238.375 1.605 20 30 BDEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000883166216 591558212 /nfs/dbraw/zinc/55/82/12/591558212.db2.gz VOWHYORHQNMJAO-UONOGXRCSA-N 2 2 249.358 1.987 20 30 BDEDLP C=CCC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCO1 ZINC000883221905 591576744 /nfs/dbraw/zinc/57/67/44/591576744.db2.gz JXMNBTZRUNWNCX-STQMWFEESA-N 2 2 226.364 1.651 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000884610621 591993938 /nfs/dbraw/zinc/99/39/38/591993938.db2.gz QYQNNUPWOUXPNY-NSHDSACASA-N 2 2 233.290 1.152 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000884610621 591993939 /nfs/dbraw/zinc/99/39/39/591993939.db2.gz QYQNNUPWOUXPNY-NSHDSACASA-N 2 2 233.290 1.152 20 30 BDEDLP CCCCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000104348838 592611684 /nfs/dbraw/zinc/61/16/84/592611684.db2.gz ZCOTYGWTMDISBQ-GFCCVEGCSA-N 2 2 214.353 1.616 20 30 BDEDLP CCCCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000104348838 592611686 /nfs/dbraw/zinc/61/16/86/592611686.db2.gz ZCOTYGWTMDISBQ-GFCCVEGCSA-N 2 2 214.353 1.616 20 30 BDEDLP C#C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000934514025 631897821 /nfs/dbraw/zinc/89/78/21/631897821.db2.gz FAOPTIXLKRQKCE-LBPRGKRZSA-N 2 2 203.289 1.371 20 30 BDEDLP C#C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000934514025 631897824 /nfs/dbraw/zinc/89/78/24/631897824.db2.gz FAOPTIXLKRQKCE-LBPRGKRZSA-N 2 2 203.289 1.371 20 30 BDEDLP CCNC(NCc1ccn2cc[nH+]c2c1)=[NH+]CC ZINC000177712934 633830215 /nfs/dbraw/zinc/83/02/15/633830215.db2.gz ABBPOPWQWRCESZ-UHFFFAOYSA-N 2 2 245.330 1.409 20 30 BDEDLP C#CCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309792609 634008200 /nfs/dbraw/zinc/00/82/00/634008200.db2.gz PNEZAHQYUCOCBG-JSGCOSHPSA-N 2 2 220.360 1.862 20 30 BDEDLP C#CCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309792609 634008209 /nfs/dbraw/zinc/00/82/09/634008209.db2.gz PNEZAHQYUCOCBG-JSGCOSHPSA-N 2 2 220.360 1.862 20 30 BDEDLP C=CCOCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314550 640152313 /nfs/dbraw/zinc/15/23/13/640152313.db2.gz PFHUWSYUSXLCMV-OKILXGFUSA-N 2 2 238.375 1.463 20 30 BDEDLP C=CCOCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314550 640152322 /nfs/dbraw/zinc/15/23/22/640152322.db2.gz PFHUWSYUSXLCMV-OKILXGFUSA-N 2 2 238.375 1.463 20 30 BDEDLP C=CCOCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314550 640152329 /nfs/dbraw/zinc/15/23/29/640152329.db2.gz PFHUWSYUSXLCMV-OKILXGFUSA-N 2 2 238.375 1.463 20 30 BDEDLP C=CCOCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314550 640152333 /nfs/dbraw/zinc/15/23/33/640152333.db2.gz PFHUWSYUSXLCMV-OKILXGFUSA-N 2 2 238.375 1.463 20 30 BDEDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430223 640198590 /nfs/dbraw/zinc/19/85/90/640198590.db2.gz MVHVESIJHHBKGX-MJBXVCDLSA-N 2 2 246.358 1.313 20 30 BDEDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430223 640198607 /nfs/dbraw/zinc/19/86/07/640198607.db2.gz MVHVESIJHHBKGX-MJBXVCDLSA-N 2 2 246.358 1.313 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430223 640198612 /nfs/dbraw/zinc/19/86/12/640198612.db2.gz MVHVESIJHHBKGX-MJBXVCDLSA-N 2 2 246.358 1.313 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430223 640198616 /nfs/dbraw/zinc/19/86/16/640198616.db2.gz MVHVESIJHHBKGX-MJBXVCDLSA-N 2 2 246.358 1.313 20 30 BDEDLP C[C@H](CCC#N)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520174 640251350 /nfs/dbraw/zinc/25/13/50/640251350.db2.gz WWQWJFMMOJHUKR-SNVBAGLBSA-N 2 2 230.315 1.714 20 30 BDEDLP C[C@H](CCC#N)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520174 640251356 /nfs/dbraw/zinc/25/13/56/640251356.db2.gz WWQWJFMMOJHUKR-SNVBAGLBSA-N 2 2 230.315 1.714 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158260331 640826720 /nfs/dbraw/zinc/82/67/20/640826720.db2.gz UQTANEKALPWZTH-VHSXEESVSA-N 2 2 202.729 1.811 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158260331 640826724 /nfs/dbraw/zinc/82/67/24/640826724.db2.gz UQTANEKALPWZTH-VHSXEESVSA-N 2 2 202.729 1.811 20 30 BDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000932387998 643205245 /nfs/dbraw/zinc/20/52/45/643205245.db2.gz QMNARUPKMKSANW-CYBMUJFWSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000932387998 643205251 /nfs/dbraw/zinc/20/52/51/643205251.db2.gz QMNARUPKMKSANW-CYBMUJFWSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000932387998 643205254 /nfs/dbraw/zinc/20/52/54/643205254.db2.gz QMNARUPKMKSANW-CYBMUJFWSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000932387998 643205261 /nfs/dbraw/zinc/20/52/61/643205261.db2.gz QMNARUPKMKSANW-CYBMUJFWSA-N 2 2 226.364 1.031 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329365 644347377 /nfs/dbraw/zinc/34/73/77/644347377.db2.gz HOTOMLZJDSRHHW-STQMWFEESA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329365 644347381 /nfs/dbraw/zinc/34/73/81/644347381.db2.gz HOTOMLZJDSRHHW-STQMWFEESA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923414906 644416998 /nfs/dbraw/zinc/41/69/98/644416998.db2.gz DQHBMSFEIVWGSZ-XQQFMLRXSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923414906 644417002 /nfs/dbraw/zinc/41/70/02/644417002.db2.gz DQHBMSFEIVWGSZ-XQQFMLRXSA-N 2 2 224.348 1.140 20 30 BDEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000925702880 646426852 /nfs/dbraw/zinc/42/68/52/646426852.db2.gz FQUXTIDYHDGQHF-SWLSCSKDSA-N 2 2 243.354 1.983 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715008614 712504100 /nfs/dbraw/zinc/50/41/00/712504100.db2.gz PBQNFUMYIUDRFE-WDEREUQCSA-N 2 2 214.740 1.813 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715008614 712504101 /nfs/dbraw/zinc/50/41/01/712504101.db2.gz PBQNFUMYIUDRFE-WDEREUQCSA-N 2 2 214.740 1.813 20 30 BDEDLP CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000389619972 962399803 /nfs/dbraw/zinc/39/98/03/962399803.db2.gz IGXKXHYDRSHPKJ-RYUDHWBXSA-N 2 2 209.337 1.739 20 30 BDEDLP CC[C@@H](CC#N)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000389619972 962399823 /nfs/dbraw/zinc/39/98/23/962399823.db2.gz IGXKXHYDRSHPKJ-RYUDHWBXSA-N 2 2 209.337 1.739 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252602165 968859452 /nfs/dbraw/zinc/85/94/52/968859452.db2.gz NONWOHQBADFWLL-CYBMUJFWSA-N 2 2 237.347 1.532 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252602165 968859454 /nfs/dbraw/zinc/85/94/54/968859454.db2.gz NONWOHQBADFWLL-CYBMUJFWSA-N 2 2 237.347 1.532 20 30 BDEDLP C=CCN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522238 969706171 /nfs/dbraw/zinc/70/61/71/969706171.db2.gz FJJUEIFTCCTVAL-AWEZNQCLSA-N 2 2 237.391 1.274 20 30 BDEDLP C=CCN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522238 969706182 /nfs/dbraw/zinc/70/61/82/969706182.db2.gz FJJUEIFTCCTVAL-AWEZNQCLSA-N 2 2 237.391 1.274 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@H](C#N)C2)CC1 ZINC001254526721 969714836 /nfs/dbraw/zinc/71/48/36/969714836.db2.gz UBRVLZWHPJJUOD-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](C#N)C2)CC1 ZINC001254526721 969714844 /nfs/dbraw/zinc/71/48/44/969714844.db2.gz UBRVLZWHPJJUOD-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001254526721 969714851 /nfs/dbraw/zinc/71/48/51/969714851.db2.gz UBRVLZWHPJJUOD-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001254526721 969714856 /nfs/dbraw/zinc/71/48/56/969714856.db2.gz UBRVLZWHPJJUOD-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP N#CCCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254838802 969798213 /nfs/dbraw/zinc/79/82/13/969798213.db2.gz HTVFKURKROESLT-ZDUSSCGKSA-N 2 2 221.348 1.754 20 30 BDEDLP CCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173821 979828568 /nfs/dbraw/zinc/82/85/68/979828568.db2.gz UZMVCFMSBFIFPO-GFCCVEGCSA-N 2 2 226.364 1.616 20 30 BDEDLP CCCCCCC[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173821 979828570 /nfs/dbraw/zinc/82/85/70/979828570.db2.gz UZMVCFMSBFIFPO-GFCCVEGCSA-N 2 2 226.364 1.616 20 30 BDEDLP Cc1[nH+]cn([C@@H](C)CCCC#N)c1CC[NH3+] ZINC001172478471 974777248 /nfs/dbraw/zinc/77/72/48/974777248.db2.gz FBOIJFMMAOGEMV-JTQLQIEISA-N 2 2 220.320 1.948 20 30 BDEDLP SCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898625 971015017 /nfs/dbraw/zinc/01/50/17/971015017.db2.gz NVZDKJVKFZGBFO-NSHDSACASA-N 2 2 228.405 1.913 20 30 BDEDLP SCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898625 971015026 /nfs/dbraw/zinc/01/50/26/971015026.db2.gz NVZDKJVKFZGBFO-NSHDSACASA-N 2 2 228.405 1.913 20 30 BDEDLP C=C[C@@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001330868283 974511584 /nfs/dbraw/zinc/51/15/84/974511584.db2.gz VTOZWCKPIKHHHG-NSHDSACASA-N 2 2 224.348 1.404 20 30 BDEDLP C=CCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001204953595 967257252 /nfs/dbraw/zinc/25/72/52/967257252.db2.gz BLLKUDABPJDYGS-KGLIPLIRSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001204953595 967257265 /nfs/dbraw/zinc/25/72/65/967257265.db2.gz BLLKUDABPJDYGS-KGLIPLIRSA-N 2 2 240.391 1.907 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205872183 967869222 /nfs/dbraw/zinc/86/92/22/967869222.db2.gz GULMZLOETPKRAC-DOMZBBRYSA-N 2 2 228.339 1.837 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205872183 967869224 /nfs/dbraw/zinc/86/92/24/967869224.db2.gz GULMZLOETPKRAC-DOMZBBRYSA-N 2 2 228.339 1.837 20 30 BDEDLP Cn1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC001207101218 968630070 /nfs/dbraw/zinc/63/00/70/968630070.db2.gz IMKQVZLCKGCSIO-UHFFFAOYSA-N 2 2 246.358 1.423 20 30 BDEDLP Cn1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC001207101218 968630079 /nfs/dbraw/zinc/63/00/79/968630079.db2.gz IMKQVZLCKGCSIO-UHFFFAOYSA-N 2 2 246.358 1.423 20 30 BDEDLP C=C[C@](C)(O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252558615 968805472 /nfs/dbraw/zinc/80/54/72/968805472.db2.gz YGUVSNHIHWTGCW-AWEZNQCLSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@](C)(O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252558615 968805474 /nfs/dbraw/zinc/80/54/74/968805474.db2.gz YGUVSNHIHWTGCW-AWEZNQCLSA-N 2 2 240.391 1.728 20 30 BDEDLP C=CC[NH+](CC=C)Cc1c[nH+]ccc1N ZINC001209731559 969591969 /nfs/dbraw/zinc/59/19/69/969591969.db2.gz SZZYALHKPSGBDH-UHFFFAOYSA-N 2 2 203.289 1.668 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C#N)co2)CC1 ZINC001254514883 969692482 /nfs/dbraw/zinc/69/24/82/969692482.db2.gz PMVKEFZQZSWYGW-LBPRGKRZSA-N 2 2 233.315 1.725 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(C#N)co2)CC1 ZINC001254514883 969692484 /nfs/dbraw/zinc/69/24/84/969692484.db2.gz PMVKEFZQZSWYGW-LBPRGKRZSA-N 2 2 233.315 1.725 20 30 BDEDLP C#Cc1cc(Nc2c[nH+]c(N)cc2C)cc[nH+]1 ZINC001209961253 969720607 /nfs/dbraw/zinc/72/06/07/969720607.db2.gz FKDCDVVUFPBKAO-UHFFFAOYSA-N 2 2 224.267 1.514 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001327993003 972844074 /nfs/dbraw/zinc/84/40/74/972844074.db2.gz SZXSRMYHHACRLQ-WDEREUQCSA-N 2 2 243.314 1.300 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]CC[NH+]1CCCC1 ZINC001172475926 974773197 /nfs/dbraw/zinc/77/31/97/974773197.db2.gz DWNCBPUWAYFRFX-LBPRGKRZSA-N 2 2 209.337 1.754 20 30 BDEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(CC#N)CC1 ZINC001173325593 975273691 /nfs/dbraw/zinc/27/36/91/975273691.db2.gz LEZYZTGEHSRIGQ-PNESKVBLSA-N 2 2 223.364 1.999 20 30 BDEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001336763767 977933216 /nfs/dbraw/zinc/93/32/16/977933216.db2.gz RSTPMRFANYYFGE-KBPBESRZSA-N 2 2 248.374 1.750 20 30 BDEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001336763767 977933222 /nfs/dbraw/zinc/93/32/22/977933222.db2.gz RSTPMRFANYYFGE-KBPBESRZSA-N 2 2 248.374 1.750 20 30 BDEDLP C=CCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102310 979817932 /nfs/dbraw/zinc/81/79/32/979817932.db2.gz XBANOAFBTVCGHY-QWHCGFSZSA-N 2 2 226.364 1.781 20 30 BDEDLP C=CCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102310 979817934 /nfs/dbraw/zinc/81/79/34/979817934.db2.gz XBANOAFBTVCGHY-QWHCGFSZSA-N 2 2 226.364 1.781 20 30 BDEDLP CC[N@H+](CCC#N)CC(CC)(CC)C[NH3+] ZINC001577710817 984657227 /nfs/dbraw/zinc/65/72/27/984657227.db2.gz BYMYXWSLVMGVKU-UHFFFAOYSA-N 2 2 211.353 1.987 20 30 BDEDLP CC[N@@H+](CCC#N)CC(CC)(CC)C[NH3+] ZINC001577710817 984657281 /nfs/dbraw/zinc/65/72/81/984657281.db2.gz BYMYXWSLVMGVKU-UHFFFAOYSA-N 2 2 211.353 1.987 20 30 BDEDLP C=C[C@@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001253598445 986231790 /nfs/dbraw/zinc/23/17/90/986231790.db2.gz TWJZHJPBCIVCBI-OAHLLOKOSA-N 2 2 246.354 1.255 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041253 986432195 /nfs/dbraw/zinc/43/21/95/986432195.db2.gz YHMYRNNMSRVRDF-MTVMDMGHSA-N 2 2 205.305 1.161 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001246100459 987416829 /nfs/dbraw/zinc/41/68/29/987416829.db2.gz DKDNDTYMTBOCHI-DDHJBXDOSA-N 2 2 207.321 1.266 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(CC)c2)CC1 ZINC001473981437 987623599 /nfs/dbraw/zinc/62/35/99/987623599.db2.gz IWLLYAQUVJYHCV-UHFFFAOYSA-N 2 2 248.374 1.643 20 30 BDEDLP C#CCCC1(CC[NH2+][C@H]2CCC[NH2+]C2)N=N1 ZINC001246516412 987864581 /nfs/dbraw/zinc/86/45/81/987864581.db2.gz SEFNIMAKTNRRES-NSHDSACASA-N 2 2 220.320 1.294 20 30 BDEDLP SC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246825620 988516425 /nfs/dbraw/zinc/51/64/25/988516425.db2.gz UBHOZQURBJETJW-SECBINFHSA-N 2 2 200.351 1.133 20 30 BDEDLP CCCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246846294 988555107 /nfs/dbraw/zinc/55/51/07/988555107.db2.gz NWTNWGWMADCUPW-RWMBFGLXSA-N 2 2 228.380 1.739 20 30 BDEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246846294 988555120 /nfs/dbraw/zinc/55/51/20/988555120.db2.gz NWTNWGWMADCUPW-RWMBFGLXSA-N 2 2 228.380 1.739 20 30 BDEDLP CC1(C#N)CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923290 988736080 /nfs/dbraw/zinc/73/60/80/988736080.db2.gz XSEQSJGCBNCJJI-QCXCNERSSA-N 2 2 219.332 1.362 20 30 BDEDLP CC1(C#N)CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923290 988736098 /nfs/dbraw/zinc/73/60/98/988736098.db2.gz XSEQSJGCBNCJJI-QCXCNERSSA-N 2 2 219.332 1.362 20 30 BDEDLP C#CC[N@@H+](Cc1[nH]c(C)[nH+]c1C)CC1CC1 ZINC001119765524 989390255 /nfs/dbraw/zinc/39/02/55/989390255.db2.gz VZPBZLPLASZNLF-UHFFFAOYSA-N 2 2 217.316 1.872 20 30 BDEDLP C#CC[N@H+](Cc1[nH]c(C)[nH+]c1C)CC1CC1 ZINC001119765524 989390264 /nfs/dbraw/zinc/39/02/64/989390264.db2.gz VZPBZLPLASZNLF-UHFFFAOYSA-N 2 2 217.316 1.872 20 30 BDEDLP CCC[NH+]1CCC([NH+]2CC(CC#N)C2)CC1 ZINC001258771504 991741196 /nfs/dbraw/zinc/74/11/96/991741196.db2.gz GBXXBCNBWMBJHX-UHFFFAOYSA-N 2 2 221.348 1.706 20 30 BDEDLP C=CCCCC[C@@H](C)[NH2+]CC1(O)C[NH2+]C1 ZINC001574907449 992940188 /nfs/dbraw/zinc/94/01/88/992940188.db2.gz MNQPNLRPDKEVTL-LLVKDONJSA-N 2 2 212.337 1.045 20 30 BDEDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001576381386 993285906 /nfs/dbraw/zinc/28/59/06/993285906.db2.gz AEJGPSOSSYQVPM-QWRGUYRKSA-N 2 2 237.347 1.022 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001576608026 993363889 /nfs/dbraw/zinc/36/38/89/993363889.db2.gz MLLPMIZNPPSGAH-PWSUYJOCSA-N 2 2 230.315 1.265 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001576608026 993363896 /nfs/dbraw/zinc/36/38/96/993363896.db2.gz MLLPMIZNPPSGAH-PWSUYJOCSA-N 2 2 230.315 1.265 20 30 BDEDLP C=CCn1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nn1 ZINC000424376793 398182093 /nfs/dbraw/zinc/18/20/93/398182093.db2.gz LYQTUOLLDDKOJB-CHWSQXEVSA-N 2 2 249.362 1.214 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602525690 349577678 /nfs/dbraw/zinc/57/76/78/349577678.db2.gz BRAPFFHXMULVQJ-WXRRBKDZSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602525690 349577681 /nfs/dbraw/zinc/57/76/81/349577681.db2.gz BRAPFFHXMULVQJ-WXRRBKDZSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000602528849 349578250 /nfs/dbraw/zinc/57/82/50/349578250.db2.gz LTMSIKZVCJPGBF-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000602528849 349578252 /nfs/dbraw/zinc/57/82/52/349578252.db2.gz LTMSIKZVCJPGBF-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1C ZINC000602644580 349656592 /nfs/dbraw/zinc/65/65/92/349656592.db2.gz ZBSDFXCZZCNOLD-QWRGUYRKSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1C ZINC000602644580 349656594 /nfs/dbraw/zinc/65/65/94/349656594.db2.gz ZBSDFXCZZCNOLD-QWRGUYRKSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@@H](CCC#N)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000602657834 349662887 /nfs/dbraw/zinc/66/28/87/349662887.db2.gz SKPRMFBYHAAKLT-LBPRGKRZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[C@@H](CCC#N)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000602657834 349662889 /nfs/dbraw/zinc/66/28/89/349662889.db2.gz SKPRMFBYHAAKLT-LBPRGKRZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000349326194 136341890 /nfs/dbraw/zinc/34/18/90/136341890.db2.gz TVVFHYKZIVJVTC-VOAKCMCISA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000349326194 136341891 /nfs/dbraw/zinc/34/18/91/136341891.db2.gz TVVFHYKZIVJVTC-VOAKCMCISA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1C ZINC000335842529 136354525 /nfs/dbraw/zinc/35/45/25/136354525.db2.gz RJOQRCOADUKBSI-VXGBXAGGSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1C ZINC000335842529 136354526 /nfs/dbraw/zinc/35/45/26/136354526.db2.gz RJOQRCOADUKBSI-VXGBXAGGSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842529 136354527 /nfs/dbraw/zinc/35/45/27/136354527.db2.gz RJOQRCOADUKBSI-VXGBXAGGSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842529 136354528 /nfs/dbraw/zinc/35/45/28/136354528.db2.gz RJOQRCOADUKBSI-VXGBXAGGSA-N 2 2 221.348 1.705 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982111 349833624 /nfs/dbraw/zinc/83/36/24/349833624.db2.gz NRVMKYHCTYXTNU-WCQYABFASA-N 2 2 232.331 1.587 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982111 349833626 /nfs/dbraw/zinc/83/36/26/349833626.db2.gz NRVMKYHCTYXTNU-WCQYABFASA-N 2 2 232.331 1.587 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739224 343902943 /nfs/dbraw/zinc/90/29/43/343902943.db2.gz RKXUSLVNCZBIRR-HZMBPMFUSA-N 2 2 247.317 1.737 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739224 343902945 /nfs/dbraw/zinc/90/29/45/343902945.db2.gz RKXUSLVNCZBIRR-HZMBPMFUSA-N 2 2 247.317 1.737 20 30 BDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CCC#N)CC[C@@H]21 ZINC000129115140 344210845 /nfs/dbraw/zinc/21/08/45/344210845.db2.gz BQOBFIAGAFBRHR-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@H]2C[NH+](CCC#N)CC[C@@H]21 ZINC000129115140 344210847 /nfs/dbraw/zinc/21/08/47/344210847.db2.gz BQOBFIAGAFBRHR-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@H+](CCC#N)CC[C@@H]21 ZINC000129115140 344210848 /nfs/dbraw/zinc/21/08/48/344210848.db2.gz BQOBFIAGAFBRHR-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CCC#N)CC[C@@H]21 ZINC000129115140 344210850 /nfs/dbraw/zinc/21/08/50/344210850.db2.gz BQOBFIAGAFBRHR-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[NH2+]1 ZINC000600712124 344361602 /nfs/dbraw/zinc/36/16/02/344361602.db2.gz WKTZGAIWMCFUGC-LPWJVIDDSA-N 2 2 221.348 1.799 20 30 BDEDLP C=CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079491547 344978812 /nfs/dbraw/zinc/97/88/12/344978812.db2.gz XDXPBRICUBFFAD-GFCCVEGCSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079491547 344978813 /nfs/dbraw/zinc/97/88/13/344978813.db2.gz XDXPBRICUBFFAD-GFCCVEGCSA-N 2 2 224.348 1.358 20 30 BDEDLP Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425230291 192085109 /nfs/dbraw/zinc/08/51/09/192085109.db2.gz SGEMCUXUAMEOSJ-AWEZNQCLSA-N 2 2 244.342 1.436 20 30 BDEDLP C#C[C@@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000289338510 345245101 /nfs/dbraw/zinc/24/51/01/345245101.db2.gz HOCXGCBHKCWGBO-LLVKDONJSA-N 2 2 213.284 1.754 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309503283 347088111 /nfs/dbraw/zinc/08/81/11/347088111.db2.gz VGAYGLXPJUKZJN-WOPDTQHZSA-N 2 2 218.304 1.553 20 30 BDEDLP N#Cc1csc(C[NH2+]CCC[NH+]2CCC2)n1 ZINC000563416628 323123564 /nfs/dbraw/zinc/12/35/64/323123564.db2.gz ICWUWYQDWXVDBS-UHFFFAOYSA-N 2 2 236.344 1.200 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](C)C#N ZINC000120461224 347362176 /nfs/dbraw/zinc/36/21/76/347362176.db2.gz UAMMCZOEVHIJSH-LLVKDONJSA-N 2 2 206.293 1.365 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](C)C#N ZINC000120461224 347362178 /nfs/dbraw/zinc/36/21/78/347362178.db2.gz UAMMCZOEVHIJSH-LLVKDONJSA-N 2 2 206.293 1.365 20 30 BDEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380111650 365888360 /nfs/dbraw/zinc/88/83/60/365888360.db2.gz OJTBFMJOMPMSOE-LLVKDONJSA-N 2 2 206.333 1.615 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590956100 347593787 /nfs/dbraw/zinc/59/37/87/347593787.db2.gz SJBGTDRNESSEKT-CYBMUJFWSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590956100 347593790 /nfs/dbraw/zinc/59/37/90/347593790.db2.gz SJBGTDRNESSEKT-CYBMUJFWSA-N 2 2 232.331 1.588 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577268 347676691 /nfs/dbraw/zinc/67/66/91/347676691.db2.gz KRMWXUUVCQEZNK-ZYHUDNBSSA-N 2 2 207.321 1.410 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000591579942 347677935 /nfs/dbraw/zinc/67/79/35/347677935.db2.gz ATCFQMWCFGYUFO-BJDJZHNGSA-N 2 2 225.311 1.358 20 30 BDEDLP C[C@@](C[NH3+])([NH2+]Cc1ccncc1C#N)C1CC1 ZINC000592475390 347791344 /nfs/dbraw/zinc/79/13/44/347791344.db2.gz HMBNUSGARZQSKJ-ZDUSSCGKSA-N 2 2 230.315 1.170 20 30 BDEDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592478241 347791587 /nfs/dbraw/zinc/79/15/87/347791587.db2.gz PJDBWGBDFJRTRD-QWRGUYRKSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592478241 347791591 /nfs/dbraw/zinc/79/15/91/347791591.db2.gz PJDBWGBDFJRTRD-QWRGUYRKSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H](C#N)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000595710518 348322910 /nfs/dbraw/zinc/32/29/10/348322910.db2.gz QEGSETUBKSNKML-NSHDSACASA-N 2 2 232.331 1.729 20 30 BDEDLP C[C@@H](C#N)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000595710518 348322913 /nfs/dbraw/zinc/32/29/13/348322913.db2.gz QEGSETUBKSNKML-NSHDSACASA-N 2 2 232.331 1.729 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000595892897 348390990 /nfs/dbraw/zinc/39/09/90/348390990.db2.gz OUFQLNQPFJCMCS-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000595892897 348390991 /nfs/dbraw/zinc/39/09/91/348390991.db2.gz OUFQLNQPFJCMCS-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000596654186 348607637 /nfs/dbraw/zinc/60/76/37/348607637.db2.gz HKWLSDUHIMMMSV-YGRLFVJLSA-N 2 2 229.327 1.743 20 30 BDEDLP C[N@H+](CC1C[NH+](C)C1)CC(C)(C)CCC#N ZINC000597203396 348676838 /nfs/dbraw/zinc/67/68/38/348676838.db2.gz PBNYGQCSAPCCST-UHFFFAOYSA-N 2 2 223.364 1.810 20 30 BDEDLP C[N@@H+](CC1C[NH+](C)C1)CC(C)(C)CCC#N ZINC000597203396 348676842 /nfs/dbraw/zinc/67/68/42/348676842.db2.gz PBNYGQCSAPCCST-UHFFFAOYSA-N 2 2 223.364 1.810 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CCC#N)[C@H](C)C1 ZINC000336653008 350420534 /nfs/dbraw/zinc/42/05/34/350420534.db2.gz XMNYRWBDBYIDQG-NEPJUHHUSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)CCC#N)[C@H](C)C1 ZINC000336653008 350420537 /nfs/dbraw/zinc/42/05/37/350420537.db2.gz XMNYRWBDBYIDQG-NEPJUHHUSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)CCC#N)[C@H](C)C1 ZINC000336653008 350420541 /nfs/dbraw/zinc/42/05/41/350420541.db2.gz XMNYRWBDBYIDQG-NEPJUHHUSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CCC#N)[C@H](C)C1 ZINC000336653008 350420544 /nfs/dbraw/zinc/42/05/44/350420544.db2.gz XMNYRWBDBYIDQG-NEPJUHHUSA-N 2 2 209.337 1.562 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000232315652 352619418 /nfs/dbraw/zinc/61/94/18/352619418.db2.gz AVEOZPJAKPTSQL-WCQYABFASA-N 2 2 246.358 1.469 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000232315652 352619420 /nfs/dbraw/zinc/61/94/20/352619420.db2.gz AVEOZPJAKPTSQL-WCQYABFASA-N 2 2 246.358 1.469 20 30 BDEDLP N#CC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334244384 352833848 /nfs/dbraw/zinc/83/38/48/352833848.db2.gz ZNXPRWQGBWGBPH-NSHDSACASA-N 2 2 230.315 1.893 20 30 BDEDLP N#CC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334244384 352833850 /nfs/dbraw/zinc/83/38/50/352833850.db2.gz ZNXPRWQGBWGBPH-NSHDSACASA-N 2 2 230.315 1.893 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@@H]1CCCC[N@H+]1C ZINC000268508596 188088925 /nfs/dbraw/zinc/08/89/25/188088925.db2.gz BSTZIVLSEJWHHF-AWEZNQCLSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@@H]1CCCC[N@@H+]1C ZINC000268508596 188088927 /nfs/dbraw/zinc/08/89/27/188088927.db2.gz BSTZIVLSEJWHHF-AWEZNQCLSA-N 2 2 218.344 1.429 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600081 188137308 /nfs/dbraw/zinc/13/73/08/188137308.db2.gz JTEPVJGFLADKAY-JTQLQIEISA-N 2 2 202.729 1.670 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600081 188137309 /nfs/dbraw/zinc/13/73/09/188137309.db2.gz JTEPVJGFLADKAY-JTQLQIEISA-N 2 2 202.729 1.670 20 30 BDEDLP C=C(C)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129268430 353313890 /nfs/dbraw/zinc/31/38/90/353313890.db2.gz JRZBWAZUOKEVFO-ZDUSSCGKSA-N 2 2 224.348 1.217 20 30 BDEDLP C=C(C)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129268430 353313894 /nfs/dbraw/zinc/31/38/94/353313894.db2.gz JRZBWAZUOKEVFO-ZDUSSCGKSA-N 2 2 224.348 1.217 20 30 BDEDLP C[C@@H](C#N)C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343282185 353342769 /nfs/dbraw/zinc/34/27/69/353342769.db2.gz JHKNAYXCFJVPQP-LBPRGKRZSA-N 2 2 232.331 1.897 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343282185 353342771 /nfs/dbraw/zinc/34/27/71/353342771.db2.gz JHKNAYXCFJVPQP-LBPRGKRZSA-N 2 2 232.331 1.897 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192025294 353532098 /nfs/dbraw/zinc/53/20/98/353532098.db2.gz SQYZKFTURUAUJE-INIZCTEOSA-N 2 2 242.366 1.922 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192025294 353532099 /nfs/dbraw/zinc/53/20/99/353532099.db2.gz SQYZKFTURUAUJE-INIZCTEOSA-N 2 2 242.366 1.922 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336780403 353587913 /nfs/dbraw/zinc/58/79/13/353587913.db2.gz RFXOCPWGTUDBRO-QWHCGFSZSA-N 2 2 226.364 1.509 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336780403 353587915 /nfs/dbraw/zinc/58/79/15/353587915.db2.gz RFXOCPWGTUDBRO-QWHCGFSZSA-N 2 2 226.364 1.509 20 30 BDEDLP Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399069387 353825984 /nfs/dbraw/zinc/82/59/84/353825984.db2.gz NGBIGNNFGUEUHA-CABZTGNLSA-N 2 2 230.315 1.435 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000106245028 355771937 /nfs/dbraw/zinc/77/19/37/355771937.db2.gz JRZDKAKDLGVVEX-UHFFFAOYSA-N 2 2 234.347 1.540 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cc(C)[nH+]cc1C#N ZINC000399488986 356664930 /nfs/dbraw/zinc/66/49/30/356664930.db2.gz HIWOOTZFOXWFHE-UHFFFAOYSA-N 2 2 242.326 1.051 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]cc1C#N ZINC000399488986 356664933 /nfs/dbraw/zinc/66/49/33/356664933.db2.gz HIWOOTZFOXWFHE-UHFFFAOYSA-N 2 2 242.326 1.051 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358279981 134187516 /nfs/dbraw/zinc/18/75/16/134187516.db2.gz ANTWQQBMSJGZEQ-GXTWGEPZSA-N 2 2 238.375 1.651 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358279981 134187517 /nfs/dbraw/zinc/18/75/17/134187517.db2.gz ANTWQQBMSJGZEQ-GXTWGEPZSA-N 2 2 238.375 1.651 20 30 BDEDLP CN(C)C(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000170908841 134255014 /nfs/dbraw/zinc/25/50/14/134255014.db2.gz YAPQJSXZVUIZHT-UHFFFAOYSA-N 2 2 243.314 1.249 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000126832747 358556967 /nfs/dbraw/zinc/55/69/67/358556967.db2.gz UBLJQAVLXMHJTG-CHWSQXEVSA-N 2 2 225.380 1.177 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000126832747 358556969 /nfs/dbraw/zinc/55/69/69/358556969.db2.gz UBLJQAVLXMHJTG-CHWSQXEVSA-N 2 2 225.380 1.177 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1C)C[C@@H](C)C#N ZINC000042449809 358523470 /nfs/dbraw/zinc/52/34/70/358523470.db2.gz ZHRNTWCORXACEZ-NSHDSACASA-N 2 2 220.320 1.673 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1C)C[C@@H](C)C#N ZINC000042449809 358523476 /nfs/dbraw/zinc/52/34/76/358523476.db2.gz ZHRNTWCORXACEZ-NSHDSACASA-N 2 2 220.320 1.673 20 30 BDEDLP C[C@@]1(C#N)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000612167291 359715975 /nfs/dbraw/zinc/71/59/75/359715975.db2.gz KQTQQUWHODXJRU-LBPRGKRZSA-N 2 2 218.304 1.509 20 30 BDEDLP C[C@@]1(C#N)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000612167291 359715978 /nfs/dbraw/zinc/71/59/78/359715978.db2.gz KQTQQUWHODXJRU-LBPRGKRZSA-N 2 2 218.304 1.509 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306522407 360363941 /nfs/dbraw/zinc/36/39/41/360363941.db2.gz LTPHLHHCZCREKH-UWVGGRQHSA-N 2 2 200.713 1.423 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306522407 360363946 /nfs/dbraw/zinc/36/39/46/360363946.db2.gz LTPHLHHCZCREKH-UWVGGRQHSA-N 2 2 200.713 1.423 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629509768 361104712 /nfs/dbraw/zinc/10/47/12/361104712.db2.gz KIBRVKHHNDEUKD-CHWSQXEVSA-N 2 2 240.391 1.945 20 30 BDEDLP C[C@H](CCC#N)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000581436834 367470939 /nfs/dbraw/zinc/47/09/39/367470939.db2.gz CAFJWOIYWUHZEE-VXGBXAGGSA-N 2 2 232.331 1.902 20 30 BDEDLP C[C@H](CCC#N)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000581436834 367470943 /nfs/dbraw/zinc/47/09/43/367470943.db2.gz CAFJWOIYWUHZEE-VXGBXAGGSA-N 2 2 232.331 1.902 20 30 BDEDLP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000387405771 368168458 /nfs/dbraw/zinc/16/84/58/368168458.db2.gz LTSCPPFZOJZZNU-GFCCVEGCSA-N 2 2 212.337 1.263 20 30 BDEDLP C=C(C)CC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000387405771 368168465 /nfs/dbraw/zinc/16/84/65/368168465.db2.gz LTSCPPFZOJZZNU-GFCCVEGCSA-N 2 2 212.337 1.263 20 30 BDEDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600769306 369563769 /nfs/dbraw/zinc/56/37/69/369563769.db2.gz LZLDCKQSEAHYJR-LLVKDONJSA-N 2 2 221.304 1.614 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000601329709 369621216 /nfs/dbraw/zinc/62/12/16/369621216.db2.gz MMNBNVOAQKSTGS-RISCZKNCSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000601329709 369621219 /nfs/dbraw/zinc/62/12/19/369621219.db2.gz MMNBNVOAQKSTGS-RISCZKNCSA-N 2 2 229.327 1.522 20 30 BDEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602549362 369811174 /nfs/dbraw/zinc/81/11/74/369811174.db2.gz UNPXYVUCPKRQEM-LBPRGKRZSA-N 2 2 244.342 1.385 20 30 BDEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602549362 369811177 /nfs/dbraw/zinc/81/11/77/369811177.db2.gz UNPXYVUCPKRQEM-LBPRGKRZSA-N 2 2 244.342 1.385 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1C#N ZINC000131917120 371713355 /nfs/dbraw/zinc/71/33/55/371713355.db2.gz LEHBWPZUTHZZRV-SMDDNHRTSA-N 2 2 229.327 1.870 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1C#N ZINC000131917120 371713360 /nfs/dbraw/zinc/71/33/60/371713360.db2.gz LEHBWPZUTHZZRV-SMDDNHRTSA-N 2 2 229.327 1.870 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024879 384009443 /nfs/dbraw/zinc/00/94/43/384009443.db2.gz HNRTTWVAKMXTKH-YGRLFVJLSA-N 2 2 247.317 1.785 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]C2CC(OC)C2)CC1 ZINC000309950415 384737221 /nfs/dbraw/zinc/73/72/21/384737221.db2.gz FUXWNGPOUXUXGQ-UHFFFAOYSA-N 2 2 224.348 1.404 20 30 BDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156557407 384877695 /nfs/dbraw/zinc/87/76/95/384877695.db2.gz GEUWTKGFIZKVNA-CHWSQXEVSA-N 2 2 217.316 1.789 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000308865298 385232208 /nfs/dbraw/zinc/23/22/08/385232208.db2.gz FCASWWKWCVXDMW-VXGBXAGGSA-N 2 2 207.321 1.364 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308989333 385333929 /nfs/dbraw/zinc/33/39/29/385333929.db2.gz KSGGVFUZGKKQCT-NWDGAFQWSA-N 2 2 209.337 1.608 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308989333 385333934 /nfs/dbraw/zinc/33/39/34/385333934.db2.gz KSGGVFUZGKKQCT-NWDGAFQWSA-N 2 2 209.337 1.608 20 30 BDEDLP CN(C)C(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000170905646 385454868 /nfs/dbraw/zinc/45/48/68/385454868.db2.gz KQJJASBACMRNJY-GFCCVEGCSA-N 2 2 234.347 1.166 20 30 BDEDLP CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152741 385567490 /nfs/dbraw/zinc/56/74/90/385567490.db2.gz CKZJJGIMVLLVHY-ZDUSSCGKSA-N 2 2 239.363 1.069 20 30 BDEDLP CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152741 385567493 /nfs/dbraw/zinc/56/74/93/385567493.db2.gz CKZJJGIMVLLVHY-ZDUSSCGKSA-N 2 2 239.363 1.069 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@@H]1CCC[N@H+]1C ZINC000124810599 386691533 /nfs/dbraw/zinc/69/15/33/386691533.db2.gz QSOLVXWTANSRNC-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](CC#C)CC[C@@H]1CCC[N@@H+]1C ZINC000124810599 386691535 /nfs/dbraw/zinc/69/15/35/386691535.db2.gz QSOLVXWTANSRNC-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP CC[N@H+]1CCC[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000399386090 386785193 /nfs/dbraw/zinc/78/51/93/386785193.db2.gz QKMCXMAPGMPJDA-ZDUSSCGKSA-N 2 2 244.342 1.580 20 30 BDEDLP Cc1cc(NC[C@H](C)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000399615891 387040697 /nfs/dbraw/zinc/04/06/97/387040697.db2.gz XOZMNJUHTVJWIS-JTQLQIEISA-N 2 2 232.331 1.293 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423375161 387256761 /nfs/dbraw/zinc/25/67/61/387256761.db2.gz XOJDWMXCUFJYDD-XQHKEYJVSA-N 2 2 221.348 1.656 20 30 BDEDLP C=CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000515301008 387361169 /nfs/dbraw/zinc/36/11/69/387361169.db2.gz CRASNPXQKJRHBT-UHFFFAOYSA-N 2 2 236.319 1.414 20 30 BDEDLP C=CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000515301008 387361171 /nfs/dbraw/zinc/36/11/71/387361171.db2.gz CRASNPXQKJRHBT-UHFFFAOYSA-N 2 2 236.319 1.414 20 30 BDEDLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442854948 387851130 /nfs/dbraw/zinc/85/11/30/387851130.db2.gz PDPHMQGGYNTVFT-KGLIPLIRSA-N 2 2 233.359 1.920 20 30 BDEDLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442854948 387851132 /nfs/dbraw/zinc/85/11/32/387851132.db2.gz PDPHMQGGYNTVFT-KGLIPLIRSA-N 2 2 233.359 1.920 20 30 BDEDLP C=C(C)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423158687 387938238 /nfs/dbraw/zinc/93/82/38/387938238.db2.gz WZGYFPJVGXBLMB-CHWSQXEVSA-N 2 2 224.348 1.309 20 30 BDEDLP C#CC[N@H+](CC#CC)CCCn1cc[nH+]c1 ZINC000490924722 388260545 /nfs/dbraw/zinc/26/05/45/388260545.db2.gz RFYBAVOSNTUQOK-UHFFFAOYSA-N 2 2 215.300 1.232 20 30 BDEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423522999 388692405 /nfs/dbraw/zinc/69/24/05/388692405.db2.gz MRAJPCGNMBUAHT-RISCZKNCSA-N 2 2 245.326 1.197 20 30 BDEDLP C=CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361527524 134206313 /nfs/dbraw/zinc/20/63/13/134206313.db2.gz SCHFAGZRBZBZIM-UHFFFAOYSA-N 2 2 233.315 1.398 20 30 BDEDLP C#CC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369901859 134223306 /nfs/dbraw/zinc/22/33/06/134223306.db2.gz ZKUIHPJZVYMFMZ-ZDUSSCGKSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369901859 134223307 /nfs/dbraw/zinc/22/33/07/134223307.db2.gz ZKUIHPJZVYMFMZ-ZDUSSCGKSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373098811 134233803 /nfs/dbraw/zinc/23/38/03/134233803.db2.gz KZIHVNJXMKTZED-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373098811 134233804 /nfs/dbraw/zinc/23/38/04/134233804.db2.gz KZIHVNJXMKTZED-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC)c1ccco1 ZINC000264108370 135133019 /nfs/dbraw/zinc/13/30/19/135133019.db2.gz PZGLDZIWSGHCFX-SNVBAGLBSA-N 2 2 238.335 1.197 20 30 BDEDLP CCNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264106214 135133193 /nfs/dbraw/zinc/13/31/93/135133193.db2.gz PRTIHWLFERRVIY-UHFFFAOYSA-N 2 2 245.330 1.420 20 30 BDEDLP Cn1c[nH+]cc1CNC(=[NH2+])NC1CCCCC1 ZINC000262251332 135288281 /nfs/dbraw/zinc/28/82/81/135288281.db2.gz BWXCNXGIPGPICG-UHFFFAOYSA-N 2 2 235.335 1.157 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000295032519 135378924 /nfs/dbraw/zinc/37/89/24/135378924.db2.gz ORYWNSWYYOUTIG-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000295032519 135378926 /nfs/dbraw/zinc/37/89/26/135378926.db2.gz ORYWNSWYYOUTIG-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]CC)cc1 ZINC000414829734 398050206 /nfs/dbraw/zinc/05/02/06/398050206.db2.gz NCFZQKAMXDUBLL-UHFFFAOYSA-N 2 2 234.343 1.951 20 30 BDEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343317015 411190321 /nfs/dbraw/zinc/19/03/21/411190321.db2.gz UKXVMGZOJKFAKH-CQSZACIVSA-N 2 2 247.386 1.954 20 30 BDEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343317015 411190323 /nfs/dbraw/zinc/19/03/23/411190323.db2.gz UKXVMGZOJKFAKH-CQSZACIVSA-N 2 2 247.386 1.954 20 30 BDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343317015 411190326 /nfs/dbraw/zinc/19/03/26/411190326.db2.gz UKXVMGZOJKFAKH-CQSZACIVSA-N 2 2 247.386 1.954 20 30 BDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343317015 411190330 /nfs/dbraw/zinc/19/03/30/411190330.db2.gz UKXVMGZOJKFAKH-CQSZACIVSA-N 2 2 247.386 1.954 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000660169443 411277647 /nfs/dbraw/zinc/27/76/47/411277647.db2.gz ICFLPNPKHUYDMB-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000660169443 411277649 /nfs/dbraw/zinc/27/76/49/411277649.db2.gz ICFLPNPKHUYDMB-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000660169443 411277650 /nfs/dbraw/zinc/27/76/50/411277650.db2.gz ICFLPNPKHUYDMB-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000660169443 411277652 /nfs/dbraw/zinc/27/76/52/411277652.db2.gz ICFLPNPKHUYDMB-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657426327 411505226 /nfs/dbraw/zinc/50/52/26/411505226.db2.gz AKTAKEXDBFMDFJ-LLVKDONJSA-N 2 2 235.331 1.104 20 30 BDEDLP C=CCOc1ccc(C[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000663506332 411688331 /nfs/dbraw/zinc/68/83/31/411688331.db2.gz CHNPOSOBTPNQMS-GFCCVEGCSA-N 2 2 234.343 1.949 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336753648 173032974 /nfs/dbraw/zinc/03/29/74/173032974.db2.gz GZMBWVPBSXUCHN-GRYCIOLGSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336753648 173032976 /nfs/dbraw/zinc/03/29/76/173032976.db2.gz GZMBWVPBSXUCHN-GRYCIOLGSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000042544308 173123478 /nfs/dbraw/zinc/12/34/78/173123478.db2.gz HKJCYYFTIFNBQC-CYBMUJFWSA-N 2 2 215.300 1.352 20 30 BDEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000042544308 173123479 /nfs/dbraw/zinc/12/34/79/173123479.db2.gz HKJCYYFTIFNBQC-CYBMUJFWSA-N 2 2 215.300 1.352 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341470760 177236679 /nfs/dbraw/zinc/23/66/79/177236679.db2.gz BIPOUNNZHJLUIB-WFASDCNBSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341470760 177236680 /nfs/dbraw/zinc/23/66/80/177236680.db2.gz BIPOUNNZHJLUIB-WFASDCNBSA-N 2 2 243.354 1.640 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675496593 487741483 /nfs/dbraw/zinc/74/14/83/487741483.db2.gz USXRZUWARJARQZ-KBPBESRZSA-N 2 2 240.391 1.776 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675496593 487741487 /nfs/dbraw/zinc/74/14/87/487741487.db2.gz USXRZUWARJARQZ-KBPBESRZSA-N 2 2 240.391 1.776 20 30 BDEDLP C#CC[N@@H+](Cc1c[nH+]cn1C)C1CCCC1 ZINC000155927988 326214898 /nfs/dbraw/zinc/21/48/98/326214898.db2.gz BWONMXLSJWRCST-UHFFFAOYSA-N 2 2 217.316 1.798 20 30 BDEDLP C#CC[N@H+](Cc1c[nH+]cn1C)C1CCCC1 ZINC000155927988 326214902 /nfs/dbraw/zinc/21/49/02/326214902.db2.gz BWONMXLSJWRCST-UHFFFAOYSA-N 2 2 217.316 1.798 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000677479961 488049293 /nfs/dbraw/zinc/04/92/93/488049293.db2.gz SWXVCZCEWQOMLZ-LBPRGKRZSA-N 2 2 235.331 1.526 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677816908 488130122 /nfs/dbraw/zinc/13/01/22/488130122.db2.gz DLPUCMXFBDNMMV-ZDUSSCGKSA-N 2 2 233.315 1.170 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677816908 488130126 /nfs/dbraw/zinc/13/01/26/488130126.db2.gz DLPUCMXFBDNMMV-ZDUSSCGKSA-N 2 2 233.315 1.170 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675495425 487741328 /nfs/dbraw/zinc/74/13/28/487741328.db2.gz GSOOVVGDFQXRLI-KBPBESRZSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675495425 487741331 /nfs/dbraw/zinc/74/13/31/487741331.db2.gz GSOOVVGDFQXRLI-KBPBESRZSA-N 2 2 249.358 1.847 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000678080434 488192640 /nfs/dbraw/zinc/19/26/40/488192640.db2.gz DZAPIWMJAHPZKK-UONOGXRCSA-N 2 2 247.342 1.416 20 30 BDEDLP COCC#CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000678080434 488192643 /nfs/dbraw/zinc/19/26/43/488192643.db2.gz DZAPIWMJAHPZKK-UONOGXRCSA-N 2 2 247.342 1.416 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000678080435 488192821 /nfs/dbraw/zinc/19/28/21/488192821.db2.gz DZAPIWMJAHPZKK-ZIAGYGMSSA-N 2 2 247.342 1.416 20 30 BDEDLP COCC#CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000678080435 488192824 /nfs/dbraw/zinc/19/28/24/488192824.db2.gz DZAPIWMJAHPZKK-ZIAGYGMSSA-N 2 2 247.342 1.416 20 30 BDEDLP C=CCOCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000679485559 488354743 /nfs/dbraw/zinc/35/47/43/488354743.db2.gz IJYAQMPJPPHIDC-UHFFFAOYSA-N 2 2 245.326 1.935 20 30 BDEDLP C=CCOCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000339011111 534878333 /nfs/dbraw/zinc/87/83/33/534878333.db2.gz BEDHJLPWLXVSRO-UHFFFAOYSA-N 2 2 235.331 1.723 20 30 BDEDLP C=CCOc1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000261571964 534882736 /nfs/dbraw/zinc/88/27/36/534882736.db2.gz HWOYJAUSLIMRQZ-UHFFFAOYSA-N 2 2 220.316 1.642 20 30 BDEDLP C=CCOc1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000261571964 534882737 /nfs/dbraw/zinc/88/27/37/534882737.db2.gz HWOYJAUSLIMRQZ-UHFFFAOYSA-N 2 2 220.316 1.642 20 30 BDEDLP C#CCN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000491773537 526936101 /nfs/dbraw/zinc/93/61/01/526936101.db2.gz VIRQXZWCZAOSOY-UHFFFAOYSA-N 2 2 249.402 1.112 20 30 BDEDLP C#CCN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000491773537 526936108 /nfs/dbraw/zinc/93/61/08/526936108.db2.gz VIRQXZWCZAOSOY-UHFFFAOYSA-N 2 2 249.402 1.112 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](C#N)CCC#N ZINC000181066358 536362794 /nfs/dbraw/zinc/36/27/94/536362794.db2.gz YLMHDEOAGMSSOE-ZDUSSCGKSA-N 2 2 245.330 1.649 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](C#N)CCC#N ZINC000181066358 536362798 /nfs/dbraw/zinc/36/27/98/536362798.db2.gz YLMHDEOAGMSSOE-ZDUSSCGKSA-N 2 2 245.330 1.649 20 30 BDEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000892251934 582813875 /nfs/dbraw/zinc/81/38/75/582813875.db2.gz MJNGHGGUGCJRNJ-QWRGUYRKSA-N 2 2 233.340 1.271 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C2CC2)no1 ZINC000894863866 583536181 /nfs/dbraw/zinc/53/61/81/583536181.db2.gz YOSLDAJXTWKQJV-UHFFFAOYSA-N 2 2 247.342 1.597 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C2CC2)no1 ZINC000894863866 583536182 /nfs/dbraw/zinc/53/61/82/583536182.db2.gz YOSLDAJXTWKQJV-UHFFFAOYSA-N 2 2 247.342 1.597 20 30 BDEDLP CCc1cc(NCC#CC[NH+](C)C)nc(CC)[nH+]1 ZINC000894872882 583540440 /nfs/dbraw/zinc/54/04/40/583540440.db2.gz LFEGPEZZIMSMQU-UHFFFAOYSA-N 2 2 246.358 1.578 20 30 BDEDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000902412758 584576315 /nfs/dbraw/zinc/57/63/15/584576315.db2.gz CYVUJHRFDWQFNV-VIFPVBQESA-N 2 2 233.290 1.839 20 30 BDEDLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902780188 584669703 /nfs/dbraw/zinc/66/97/03/584669703.db2.gz CDRRNKQPHBFBMO-RYUDHWBXSA-N 2 2 246.358 1.944 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902780189 584669900 /nfs/dbraw/zinc/66/99/00/584669900.db2.gz CDRRNKQPHBFBMO-VXGBXAGGSA-N 2 2 246.358 1.944 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033532 584718385 /nfs/dbraw/zinc/71/83/85/584718385.db2.gz WRAFXLCGQFRRFN-CHWSQXEVSA-N 2 2 233.359 1.897 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033532 584718387 /nfs/dbraw/zinc/71/83/87/584718387.db2.gz WRAFXLCGQFRRFN-CHWSQXEVSA-N 2 2 233.359 1.897 20 30 BDEDLP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000903422390 584764211 /nfs/dbraw/zinc/76/42/11/584764211.db2.gz BFQZOXBOAHJWFT-JTQLQIEISA-N 2 2 249.745 1.992 20 30 BDEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000903422390 584764212 /nfs/dbraw/zinc/76/42/12/584764212.db2.gz BFQZOXBOAHJWFT-JTQLQIEISA-N 2 2 249.745 1.992 20 30 BDEDLP C[C@@]1(C#N)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903767380 584798369 /nfs/dbraw/zinc/79/83/69/584798369.db2.gz WEAVVPACHWHKIV-STQMWFEESA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@@]1(C#N)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903767380 584798370 /nfs/dbraw/zinc/79/83/70/584798370.db2.gz WEAVVPACHWHKIV-STQMWFEESA-N 2 2 221.348 1.612 20 30 BDEDLP N#C[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903786538 584800302 /nfs/dbraw/zinc/80/03/02/584800302.db2.gz LLVOJERZXFTIBY-CHWSQXEVSA-N 2 2 221.348 1.612 20 30 BDEDLP N#C[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903786538 584800303 /nfs/dbraw/zinc/80/03/03/584800303.db2.gz LLVOJERZXFTIBY-CHWSQXEVSA-N 2 2 221.348 1.612 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903852788 584808114 /nfs/dbraw/zinc/80/81/14/584808114.db2.gz BKJYUAIHXIZNOZ-HUUCEWRRSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903852788 584808115 /nfs/dbraw/zinc/80/81/15/584808115.db2.gz BKJYUAIHXIZNOZ-HUUCEWRRSA-N 2 2 241.338 1.871 20 30 BDEDLP C#C[C@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1CCCO1 ZINC000755055724 585293750 /nfs/dbraw/zinc/29/37/50/585293750.db2.gz MUJLKVRUTZCGID-KBPBESRZSA-N 2 2 238.375 1.489 20 30 BDEDLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1C#N ZINC000767692732 585524816 /nfs/dbraw/zinc/52/48/16/585524816.db2.gz YYHZYCPNSLXIDP-AWEZNQCLSA-N 2 2 229.327 1.660 20 30 BDEDLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1C#N ZINC000767692732 585524817 /nfs/dbraw/zinc/52/48/17/585524817.db2.gz YYHZYCPNSLXIDP-AWEZNQCLSA-N 2 2 229.327 1.660 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000801918562 586276180 /nfs/dbraw/zinc/27/61/80/586276180.db2.gz RCMVIXCADZWDMX-STQMWFEESA-N 2 2 248.330 1.449 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000801918562 586276182 /nfs/dbraw/zinc/27/61/82/586276182.db2.gz RCMVIXCADZWDMX-STQMWFEESA-N 2 2 248.330 1.449 20 30 BDEDLP C=C(Cl)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817903372 586835748 /nfs/dbraw/zinc/83/57/48/586835748.db2.gz AAWINCKTOVKSBL-WDEREUQCSA-N 2 2 230.739 1.096 20 30 BDEDLP CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1CCC[NH2+]1 ZINC000817932250 586842841 /nfs/dbraw/zinc/84/28/41/586842841.db2.gz STYKYFPPFMDUPE-KGLIPLIRSA-N 2 2 244.342 1.573 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1C(C)C)[C@H]1CCCO1 ZINC000818203936 586879150 /nfs/dbraw/zinc/87/91/50/586879150.db2.gz NHBVWVLUYDXRRN-ZIAGYGMSSA-N 2 2 247.342 1.734 20 30 BDEDLP C#C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCOCC1 ZINC000827564316 587388374 /nfs/dbraw/zinc/38/83/74/587388374.db2.gz BALXQAUJQVSXHJ-CQSZACIVSA-N 2 2 236.359 1.099 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCCO1 ZINC000850251004 588532031 /nfs/dbraw/zinc/53/20/31/588532031.db2.gz JJOSYECFJZGBFL-QWHCGFSZSA-N 2 2 245.326 1.100 20 30 BDEDLP C#CCOCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000851802691 588630915 /nfs/dbraw/zinc/63/09/15/588630915.db2.gz KFPHZCFFWRMMMH-UHFFFAOYSA-N 2 2 233.315 1.170 20 30 BDEDLP C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871788430 589818386 /nfs/dbraw/zinc/81/83/86/589818386.db2.gz KYGWHECQJWBSOJ-JGVFFNPUSA-N 2 2 242.710 1.637 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873231342 590002652 /nfs/dbraw/zinc/00/26/52/590002652.db2.gz MEQLIMJAGYJCFB-CABCVRRESA-N 2 2 241.338 1.932 20 30 BDEDLP C#CCCCCCC[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000877658027 590386144 /nfs/dbraw/zinc/38/61/44/590386144.db2.gz MALIEQMYSOCXPF-CQSZACIVSA-N 2 2 238.375 1.226 20 30 BDEDLP C#CCCCCCC[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000877658027 590386147 /nfs/dbraw/zinc/38/61/47/590386147.db2.gz MALIEQMYSOCXPF-CQSZACIVSA-N 2 2 238.375 1.226 20 30 BDEDLP C=CC[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000878430674 590566107 /nfs/dbraw/zinc/56/61/07/590566107.db2.gz OIGVYUXPKROMLX-LBPRGKRZSA-N 2 2 246.358 1.872 20 30 BDEDLP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140615 590940119 /nfs/dbraw/zinc/94/01/19/590940119.db2.gz CDQVWGFVQUXCKC-OLZOCXBDSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140615 590940121 /nfs/dbraw/zinc/94/01/21/590940121.db2.gz CDQVWGFVQUXCKC-OLZOCXBDSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140615 590940122 /nfs/dbraw/zinc/94/01/22/590940122.db2.gz CDQVWGFVQUXCKC-OLZOCXBDSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140615 590940123 /nfs/dbraw/zinc/94/01/23/590940123.db2.gz CDQVWGFVQUXCKC-OLZOCXBDSA-N 2 2 224.348 1.358 20 30 BDEDLP C#Cc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000883132117 591546610 /nfs/dbraw/zinc/54/66/10/591546610.db2.gz GPSBURPKQJSWNJ-UHFFFAOYSA-N 2 2 239.322 2.000 20 30 BDEDLP CC1(C)[C@H]([NH2+]Cc2ccc(C#N)o2)C[C@@H]1[NH3+] ZINC000883441300 591668836 /nfs/dbraw/zinc/66/88/36/591668836.db2.gz LKFZSSKPNKPMCF-WDEREUQCSA-N 2 2 219.288 1.367 20 30 BDEDLP C#CCC1([NH2+]Cc2c[nH+]c[nH]2)CCOCC1 ZINC000887120853 592444410 /nfs/dbraw/zinc/44/44/10/592444410.db2.gz QEZQBVUENOVZRA-UHFFFAOYSA-N 2 2 219.288 1.072 20 30 BDEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309784509 633735408 /nfs/dbraw/zinc/73/54/08/633735408.db2.gz NQPOSGFZKVNJPL-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309784509 633735416 /nfs/dbraw/zinc/73/54/16/633735416.db2.gz NQPOSGFZKVNJPL-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP C=C(Cl)C[C@@H]([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000905331715 637780067 /nfs/dbraw/zinc/78/00/67/637780067.db2.gz QTJOMEYDXJIDRJ-ZCFIWIBFSA-N 2 2 228.683 1.160 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931721604 640339371 /nfs/dbraw/zinc/33/93/71/640339371.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931721604 640339377 /nfs/dbraw/zinc/33/93/77/640339377.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931721604 640339381 /nfs/dbraw/zinc/33/93/81/640339381.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931721604 640339388 /nfs/dbraw/zinc/33/93/88/640339388.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931721605 640341594 /nfs/dbraw/zinc/34/15/94/640341594.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931721605 640341598 /nfs/dbraw/zinc/34/15/98/640341598.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931721605 640341603 /nfs/dbraw/zinc/34/16/03/640341603.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931721605 640341604 /nfs/dbraw/zinc/34/16/04/640341604.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 2 224.348 1.092 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167658582 640736703 /nfs/dbraw/zinc/73/67/03/640736703.db2.gz XMGXVPXJYPFWIP-SCZZXKLOSA-N 2 2 202.729 1.656 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167658582 640736707 /nfs/dbraw/zinc/73/67/07/640736707.db2.gz XMGXVPXJYPFWIP-SCZZXKLOSA-N 2 2 202.729 1.656 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069627068 642520403 /nfs/dbraw/zinc/52/04/03/642520403.db2.gz SNMFZNAQZONFGG-NXEZZACHSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069627068 642520408 /nfs/dbraw/zinc/52/04/08/642520408.db2.gz SNMFZNAQZONFGG-NXEZZACHSA-N 2 2 202.729 1.798 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C#N)c1 ZINC000921527840 643587854 /nfs/dbraw/zinc/58/78/54/643587854.db2.gz OZBFIHGFNANRKI-JTQLQIEISA-N 2 2 246.339 1.995 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923414904 644416496 /nfs/dbraw/zinc/41/64/96/644416496.db2.gz DQHBMSFEIVWGSZ-AVGNSLFASA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923414904 644416499 /nfs/dbraw/zinc/41/64/99/644416499.db2.gz DQHBMSFEIVWGSZ-AVGNSLFASA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925632229 646376142 /nfs/dbraw/zinc/37/61/42/646376142.db2.gz PRQTUMZHKCPEFT-LLVKDONJSA-N 2 2 210.321 1.063 20 30 BDEDLP C#C[C@](C)(CC)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724778212 711612659 /nfs/dbraw/zinc/61/26/59/711612659.db2.gz BQRFJLQERKHWJX-GFCCVEGCSA-N 2 2 205.305 1.918 20 30 BDEDLP C=CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000389229374 711073546 /nfs/dbraw/zinc/07/35/46/711073546.db2.gz ALJSGQYSMXASTC-QMMMGPOBSA-N 2 2 204.264 1.619 20 30 BDEDLP C=CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000389229374 711073547 /nfs/dbraw/zinc/07/35/47/711073547.db2.gz ALJSGQYSMXASTC-QMMMGPOBSA-N 2 2 204.264 1.619 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(O)c1 ZINC000392765684 711151194 /nfs/dbraw/zinc/15/11/94/711151194.db2.gz OFCZMUDDHWEQRY-UHFFFAOYSA-N 2 2 232.327 1.437 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(O)c1 ZINC000392765684 711151200 /nfs/dbraw/zinc/15/12/00/711151200.db2.gz OFCZMUDDHWEQRY-UHFFFAOYSA-N 2 2 232.327 1.437 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000710007034 712239468 /nfs/dbraw/zinc/23/94/68/712239468.db2.gz ACXVVZFBABZGTK-NEPJUHHUSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000710007034 712239471 /nfs/dbraw/zinc/23/94/71/712239471.db2.gz ACXVVZFBABZGTK-NEPJUHHUSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(C#N)CC1 ZINC001256950479 971027728 /nfs/dbraw/zinc/02/77/28/971027728.db2.gz GLVRBLHZAJKOGW-VOMCLLRMSA-N 2 2 209.337 1.608 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001246109800 972175658 /nfs/dbraw/zinc/17/56/58/972175658.db2.gz KZKWSUBDRUUHQK-SDDRHHMPSA-N 2 2 209.337 1.656 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CC[NH2+]1 ZINC001246188350 972212085 /nfs/dbraw/zinc/21/20/85/972212085.db2.gz WIOOIYSPHQJWQL-FZMZJTMJSA-N 2 2 229.327 1.788 20 30 BDEDLP C#CCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209268200 957373943 /nfs/dbraw/zinc/37/39/43/957373943.db2.gz WKPGBWXEPXMJOJ-CHWSQXEVSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209268200 957373958 /nfs/dbraw/zinc/37/39/58/957373958.db2.gz WKPGBWXEPXMJOJ-CHWSQXEVSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209268200 957373968 /nfs/dbraw/zinc/37/39/68/957373968.db2.gz WKPGBWXEPXMJOJ-CHWSQXEVSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209268200 957373977 /nfs/dbraw/zinc/37/39/77/957373977.db2.gz WKPGBWXEPXMJOJ-CHWSQXEVSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209268211 957376908 /nfs/dbraw/zinc/37/69/08/957376908.db2.gz WKPGBWXEPXMJOJ-STQMWFEESA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209268211 957376923 /nfs/dbraw/zinc/37/69/23/957376923.db2.gz WKPGBWXEPXMJOJ-STQMWFEESA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209268211 957376933 /nfs/dbraw/zinc/37/69/33/957376933.db2.gz WKPGBWXEPXMJOJ-STQMWFEESA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209268211 957376945 /nfs/dbraw/zinc/37/69/45/957376945.db2.gz WKPGBWXEPXMJOJ-STQMWFEESA-N 2 2 206.333 1.426 20 30 BDEDLP CCCCCCCC[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204956350 962239248 /nfs/dbraw/zinc/23/92/48/962239248.db2.gz NIBWNRQPUXQDRI-QWHCGFSZSA-N 2 2 228.380 1.741 20 30 BDEDLP CCCCCCCC[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204956350 962239267 /nfs/dbraw/zinc/23/92/67/962239267.db2.gz NIBWNRQPUXQDRI-QWHCGFSZSA-N 2 2 228.380 1.741 20 30 BDEDLP C#Cc1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204792220 963595400 /nfs/dbraw/zinc/59/54/00/963595400.db2.gz WARRNFVZGQMKLX-AWEZNQCLSA-N 2 2 214.312 1.591 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204792220 963595409 /nfs/dbraw/zinc/59/54/09/963595409.db2.gz WARRNFVZGQMKLX-AWEZNQCLSA-N 2 2 214.312 1.591 20 30 BDEDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001204801481 963672415 /nfs/dbraw/zinc/67/24/15/963672415.db2.gz PZXYLQLJSJQYNQ-ZDUSSCGKSA-N 2 2 231.299 1.187 20 30 BDEDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001204801481 963672421 /nfs/dbraw/zinc/67/24/21/963672421.db2.gz PZXYLQLJSJQYNQ-ZDUSSCGKSA-N 2 2 231.299 1.187 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162797131 965188587 /nfs/dbraw/zinc/18/85/87/965188587.db2.gz IZLYPMOPANUTAI-YNEHKIRRSA-N 2 2 240.310 1.334 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205116587 965866220 /nfs/dbraw/zinc/86/62/20/965866220.db2.gz DIDNFLYXTYHBBZ-GFCCVEGCSA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205116587 965866226 /nfs/dbraw/zinc/86/62/26/965866226.db2.gz DIDNFLYXTYHBBZ-GFCCVEGCSA-N 2 2 230.315 1.266 20 30 BDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1C[NH3+] ZINC001205146111 967392366 /nfs/dbraw/zinc/39/23/66/967392366.db2.gz OSQMISHIFZCWDE-GXFFZTMASA-N 2 2 245.326 1.290 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1C[NH3+] ZINC001205146111 967392377 /nfs/dbraw/zinc/39/23/77/967392377.db2.gz OSQMISHIFZCWDE-GXFFZTMASA-N 2 2 245.326 1.290 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206182631 968115945 /nfs/dbraw/zinc/11/59/45/968115945.db2.gz CLJUFFITEXZQTC-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206182631 968115960 /nfs/dbraw/zinc/11/59/60/968115960.db2.gz CLJUFFITEXZQTC-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001206565938 968388208 /nfs/dbraw/zinc/38/82/08/968388208.db2.gz WCNGNWIDFHMYBP-AWEZNQCLSA-N 2 2 246.358 1.837 20 30 BDEDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001206565938 968388217 /nfs/dbraw/zinc/38/82/17/968388217.db2.gz WCNGNWIDFHMYBP-AWEZNQCLSA-N 2 2 246.358 1.837 20 30 BDEDLP Cc1[nH+]c2c(n1[C@H]1CC[C@H](C#N)C1)CC[NH2+]CC2 ZINC001254657229 969764566 /nfs/dbraw/zinc/76/45/66/969764566.db2.gz BPMHDVYMNJXCQI-RYUDHWBXSA-N 2 2 244.342 1.745 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1C[NH+](C)C1 ZINC001172301549 974513464 /nfs/dbraw/zinc/51/34/64/974513464.db2.gz QYFFGTAHJWFTIM-LBPRGKRZSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172300974 974514654 /nfs/dbraw/zinc/51/46/54/974514654.db2.gz IZMKZJYWHNPNBN-ZWKOPEQDSA-N 2 2 215.300 1.178 20 30 BDEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1CC#N ZINC001236883913 979779233 /nfs/dbraw/zinc/77/92/33/979779233.db2.gz HVBBCWFRZAJZJS-AWEZNQCLSA-N 2 2 231.343 1.922 20 30 BDEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1CC#N ZINC001236883913 979779241 /nfs/dbraw/zinc/77/92/41/979779241.db2.gz HVBBCWFRZAJZJS-AWEZNQCLSA-N 2 2 231.343 1.922 20 30 BDEDLP C=CCc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC001236895643 979786208 /nfs/dbraw/zinc/78/62/08/979786208.db2.gz UZCDYPTZTUOBTD-NSHDSACASA-N 2 2 234.343 1.900 20 30 BDEDLP C=CCc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC001236895643 979786213 /nfs/dbraw/zinc/78/62/13/979786213.db2.gz UZCDYPTZTUOBTD-NSHDSACASA-N 2 2 234.343 1.900 20 30 BDEDLP C[C@H](CCC#N)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001349765945 981721551 /nfs/dbraw/zinc/72/15/51/981721551.db2.gz JCHBJOQFWXHWCJ-LLVKDONJSA-N 2 2 233.319 1.224 20 30 BDEDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(C)(C)C#N ZINC001577887042 984813390 /nfs/dbraw/zinc/81/33/90/984813390.db2.gz CHMHUYSFSIZGRY-GHMZBOCLSA-N 2 2 211.353 1.902 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(C)(C)C#N ZINC001579454448 985944255 /nfs/dbraw/zinc/94/42/55/985944255.db2.gz CWMYNKNSPBPGMZ-MNOVXSKESA-N 2 2 209.337 1.323 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(C)(C)C#N ZINC001579454448 985944266 /nfs/dbraw/zinc/94/42/66/985944266.db2.gz CWMYNKNSPBPGMZ-MNOVXSKESA-N 2 2 209.337 1.323 20 30 BDEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246092820 987403407 /nfs/dbraw/zinc/40/34/07/987403407.db2.gz PTHBIUIXICEEIX-FOSCPWQOSA-N 2 2 219.332 1.553 20 30 BDEDLP CC#CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001473792715 987557372 /nfs/dbraw/zinc/55/73/72/987557372.db2.gz KAUVRHRGBURZBO-UHFFFAOYSA-N 2 2 236.359 1.243 20 30 BDEDLP N#Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246187528 987567490 /nfs/dbraw/zinc/56/74/90/987567490.db2.gz PHJNBCCMQVGLFF-YIONKMFJSA-N 2 2 241.338 1.931 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[NH2+]1 ZINC001246483665 987841920 /nfs/dbraw/zinc/84/19/20/987841920.db2.gz MUUAULZMZGTAAB-KOLCDFICSA-N 2 2 219.288 1.381 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246835162 988532991 /nfs/dbraw/zinc/53/29/91/988532991.db2.gz HHRVAHUZGVPVFZ-JHJVBQTASA-N 2 2 206.333 1.472 20 30 BDEDLP C#C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246835162 988533002 /nfs/dbraw/zinc/53/30/02/988533002.db2.gz HHRVAHUZGVPVFZ-JHJVBQTASA-N 2 2 206.333 1.472 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246835164 988535196 /nfs/dbraw/zinc/53/51/96/988535196.db2.gz HHRVAHUZGVPVFZ-UPJWGTAASA-N 2 2 206.333 1.472 20 30 BDEDLP C#C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246835164 988535203 /nfs/dbraw/zinc/53/52/03/988535203.db2.gz HHRVAHUZGVPVFZ-UPJWGTAASA-N 2 2 206.333 1.472 20 30 BDEDLP CC1(C)[C@H]([NH2+]CC2(C#N)CCOCC2)C[C@@H]1[NH3+] ZINC001576381387 993287934 /nfs/dbraw/zinc/28/79/34/993287934.db2.gz AEJGPSOSSYQVPM-WDEREUQCSA-N 2 2 237.347 1.022 20 30 BDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000424290047 398179172 /nfs/dbraw/zinc/17/91/72/398179172.db2.gz AUUDOKOCMPVOOZ-NEPJUHHUSA-N 2 2 249.362 1.036 20 30 BDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000424290047 398179175 /nfs/dbraw/zinc/17/91/75/398179175.db2.gz AUUDOKOCMPVOOZ-NEPJUHHUSA-N 2 2 249.362 1.036 20 30 BDEDLP C=CCOCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386190366 398199328 /nfs/dbraw/zinc/19/93/28/398199328.db2.gz ZHGKHQAIYWEZAY-NEPJUHHUSA-N 2 2 212.337 1.309 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000649382797 398191408 /nfs/dbraw/zinc/19/14/08/398191408.db2.gz RRIYUSXBQQHDTH-NWDGAFQWSA-N 2 2 235.331 1.526 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000649382797 398191414 /nfs/dbraw/zinc/19/14/14/398191414.db2.gz RRIYUSXBQQHDTH-NWDGAFQWSA-N 2 2 235.331 1.526 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000649377766 398185172 /nfs/dbraw/zinc/18/51/72/398185172.db2.gz AFFVXBJSXATQSK-CYBMUJFWSA-N 2 2 226.364 1.386 20 30 BDEDLP Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c(C#N)c[nH+]1 ZINC000333322795 178117464 /nfs/dbraw/zinc/11/74/64/178117464.db2.gz UUBHMKHKPSNXMC-CQSZACIVSA-N 2 2 242.326 1.452 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CCCn1cc[nH+]c1 ZINC000602505850 349582524 /nfs/dbraw/zinc/58/25/24/349582524.db2.gz VZNROONWZIXBBZ-LBPRGKRZSA-N 2 2 220.320 1.803 20 30 BDEDLP CCC[NH+]1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000042210379 342763988 /nfs/dbraw/zinc/76/39/88/342763988.db2.gz NLOARVAVERGLTP-LLVKDONJSA-N 2 2 209.337 1.610 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607729365 342784074 /nfs/dbraw/zinc/78/40/74/342784074.db2.gz VNZPBCRNYURQDY-LBPRGKRZSA-N 2 2 203.289 1.543 20 30 BDEDLP CC#CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607729365 342784075 /nfs/dbraw/zinc/78/40/75/342784075.db2.gz VNZPBCRNYURQDY-LBPRGKRZSA-N 2 2 203.289 1.543 20 30 BDEDLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C#N)s2)c1 ZINC000313270662 259332894 /nfs/dbraw/zinc/33/28/94/259332894.db2.gz BPFHUXQGULPWHH-UHFFFAOYSA-N 2 2 246.339 1.686 20 30 BDEDLP N#CCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257679 343395471 /nfs/dbraw/zinc/39/54/71/343395471.db2.gz CADGKNSRNYOYQF-LBPRGKRZSA-N 2 2 218.304 1.824 20 30 BDEDLP N#CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257679 343395475 /nfs/dbraw/zinc/39/54/75/343395475.db2.gz CADGKNSRNYOYQF-LBPRGKRZSA-N 2 2 218.304 1.824 20 30 BDEDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000071145582 343622030 /nfs/dbraw/zinc/62/20/30/343622030.db2.gz NMTDUVBKBXNPHQ-GFCCVEGCSA-N 2 2 229.327 1.600 20 30 BDEDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000071145582 343622033 /nfs/dbraw/zinc/62/20/33/343622033.db2.gz NMTDUVBKBXNPHQ-GFCCVEGCSA-N 2 2 229.327 1.600 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000135150955 343943477 /nfs/dbraw/zinc/94/34/77/343943477.db2.gz XWGSUGGUISYYJE-NWDGAFQWSA-N 2 2 245.326 1.868 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000135150955 343943478 /nfs/dbraw/zinc/94/34/78/343943478.db2.gz XWGSUGGUISYYJE-NWDGAFQWSA-N 2 2 245.326 1.868 20 30 BDEDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600767545 344370286 /nfs/dbraw/zinc/37/02/86/344370286.db2.gz BGQXRTLNKQDEOO-SNVBAGLBSA-N 2 2 221.304 1.614 20 30 BDEDLP C=CCCn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)nn1 ZINC000641802172 362758415 /nfs/dbraw/zinc/75/84/15/362758415.db2.gz YPCVTPVQRLCMOI-VXGBXAGGSA-N 2 2 249.362 1.070 20 30 BDEDLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](C#N)CCC#N ZINC000577216925 365885213 /nfs/dbraw/zinc/88/52/13/365885213.db2.gz ZDNAZODWMJANNU-RYUDHWBXSA-N 2 2 222.336 1.360 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000591570833 347675704 /nfs/dbraw/zinc/67/57/04/347675704.db2.gz UJBZZYRHOGKQST-STQMWFEESA-N 2 2 233.290 1.667 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000591570832 347675796 /nfs/dbraw/zinc/67/57/96/347675796.db2.gz UJBZZYRHOGKQST-QWHCGFSZSA-N 2 2 233.290 1.667 20 30 BDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000591577133 347676666 /nfs/dbraw/zinc/67/66/66/347676666.db2.gz LQBYTVGVTAXTLC-UKRRQHHQSA-N 2 2 241.338 1.887 20 30 BDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](C#N)CCC#N ZINC000591743000 347695543 /nfs/dbraw/zinc/69/55/43/347695543.db2.gz QVIFRKAEPCMDLK-ZIAGYGMSSA-N 2 2 248.374 1.894 20 30 BDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000592985588 347836790 /nfs/dbraw/zinc/83/67/90/347836790.db2.gz OGMUXJGKDPMGMP-STQMWFEESA-N 2 2 233.290 1.348 20 30 BDEDLP Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)cc[nH+]1 ZINC000594446562 348055664 /nfs/dbraw/zinc/05/56/64/348055664.db2.gz VENGWKQGFSUZPB-GFCCVEGCSA-N 2 2 246.314 1.162 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841574 348377211 /nfs/dbraw/zinc/37/72/11/348377211.db2.gz MGSJSWYHJWCREO-ZDUSSCGKSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841574 348377213 /nfs/dbraw/zinc/37/72/13/348377213.db2.gz MGSJSWYHJWCREO-ZDUSSCGKSA-N 2 2 232.331 1.588 20 30 BDEDLP C[N@@H+](Cc1cc(C#N)cs1)CC1C[NH+](C)C1 ZINC000597202551 348676268 /nfs/dbraw/zinc/67/62/68/348676268.db2.gz FATPMMCUTANTKD-UHFFFAOYSA-N 2 2 235.356 1.613 20 30 BDEDLP C[N@H+](Cc1cc(C#N)cs1)CC1C[NH+](C)C1 ZINC000597202551 348676271 /nfs/dbraw/zinc/67/62/71/348676271.db2.gz FATPMMCUTANTKD-UHFFFAOYSA-N 2 2 235.356 1.613 20 30 BDEDLP N#Cc1cc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000599421493 349182294 /nfs/dbraw/zinc/18/22/94/349182294.db2.gz IBGAIZJPKACLRD-UHFFFAOYSA-N 2 2 239.282 1.235 20 30 BDEDLP N#Cc1cc(C[N@H+]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000599421493 349182297 /nfs/dbraw/zinc/18/22/97/349182297.db2.gz IBGAIZJPKACLRD-UHFFFAOYSA-N 2 2 239.282 1.235 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000278506497 351767680 /nfs/dbraw/zinc/76/76/80/351767680.db2.gz AWAFQGVMWHPLLO-LBPRGKRZSA-N 2 2 247.346 1.234 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745376 352731884 /nfs/dbraw/zinc/73/18/84/352731884.db2.gz QTSWDXMUOFQWKP-NEPJUHHUSA-N 2 2 223.364 1.856 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745376 352731887 /nfs/dbraw/zinc/73/18/87/352731887.db2.gz QTSWDXMUOFQWKP-NEPJUHHUSA-N 2 2 223.364 1.856 20 30 BDEDLP C=CCCC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000336749468 352999423 /nfs/dbraw/zinc/99/94/23/352999423.db2.gz DJECNMFEUODOEO-LBPRGKRZSA-N 2 2 212.337 1.263 20 30 BDEDLP C=CCCC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000336749468 352999427 /nfs/dbraw/zinc/99/94/27/352999427.db2.gz DJECNMFEUODOEO-LBPRGKRZSA-N 2 2 212.337 1.263 20 30 BDEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCC#N)C1 ZINC000336766443 353269150 /nfs/dbraw/zinc/26/91/50/353269150.db2.gz ROAYBAVZDOCHIQ-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCC#N)C1 ZINC000336766443 353269153 /nfs/dbraw/zinc/26/91/53/353269153.db2.gz ROAYBAVZDOCHIQ-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)cnn2C)CC1 ZINC000286485912 353562424 /nfs/dbraw/zinc/56/24/24/353562424.db2.gz LMRZXKMABQJDBR-UHFFFAOYSA-N 2 2 248.374 1.469 20 30 BDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343318189 353664963 /nfs/dbraw/zinc/66/49/63/353664963.db2.gz XEIUIHZONXMZKO-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343318189 353664969 /nfs/dbraw/zinc/66/49/69/353664969.db2.gz XEIUIHZONXMZKO-ZDUSSCGKSA-N 2 2 235.375 1.954 20 30 BDEDLP Cc1cc(N2CCC(C[NH3+])CC2)c(C#N)c[nH+]1 ZINC000399074227 353826084 /nfs/dbraw/zinc/82/60/84/353826084.db2.gz OSUBETMOMKQOKR-UHFFFAOYSA-N 2 2 230.315 1.437 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044684050 181137862 /nfs/dbraw/zinc/13/78/62/181137862.db2.gz MBIVYBOPVZRSCB-CQSZACIVSA-N 2 2 241.338 1.885 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044684050 181137864 /nfs/dbraw/zinc/13/78/64/181137864.db2.gz MBIVYBOPVZRSCB-CQSZACIVSA-N 2 2 241.338 1.885 20 30 BDEDLP C=CCOc1ccccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034862 191658901 /nfs/dbraw/zinc/65/89/01/191658901.db2.gz JYGUYFNGZYOZQC-NHAGDIPZSA-N 2 2 244.338 1.559 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000192604335 356231204 /nfs/dbraw/zinc/23/12/04/356231204.db2.gz ZQYTXDJJDMWHKC-VXGBXAGGSA-N 2 2 218.304 1.555 20 30 BDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000223524309 356668223 /nfs/dbraw/zinc/66/82/23/356668223.db2.gz CWJZZPPLLQDVGR-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000223524309 356668227 /nfs/dbraw/zinc/66/82/27/356668227.db2.gz CWJZZPPLLQDVGR-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769344 356708834 /nfs/dbraw/zinc/70/88/34/356708834.db2.gz XWZREXDQSYBWRP-KGLIPLIRSA-N 2 2 238.375 1.177 20 30 BDEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769344 356708838 /nfs/dbraw/zinc/70/88/38/356708838.db2.gz XWZREXDQSYBWRP-KGLIPLIRSA-N 2 2 238.375 1.177 20 30 BDEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCCC#N)[C@@H]2C1 ZINC000361107543 134203567 /nfs/dbraw/zinc/20/35/67/134203567.db2.gz QAXBLXHQDSLMTH-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CC[C@H]2CC[NH+](CCCC#N)[C@@H]2C1 ZINC000361107543 134203568 /nfs/dbraw/zinc/20/35/68/134203568.db2.gz QAXBLXHQDSLMTH-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@H]2CC[N@H+](CCCC#N)[C@@H]2C1 ZINC000361107543 134203569 /nfs/dbraw/zinc/20/35/69/134203569.db2.gz QAXBLXHQDSLMTH-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCCC#N)[C@@H]2C1 ZINC000361107543 134203570 /nfs/dbraw/zinc/20/35/70/134203570.db2.gz QAXBLXHQDSLMTH-NWDGAFQWSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993391 358422245 /nfs/dbraw/zinc/42/22/45/358422245.db2.gz PMVPDHSIKYXPBA-CYBMUJFWSA-N 2 2 244.342 1.337 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993391 358422247 /nfs/dbraw/zinc/42/22/47/358422247.db2.gz PMVPDHSIKYXPBA-CYBMUJFWSA-N 2 2 244.342 1.337 20 30 BDEDLP C=CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129349990 358585311 /nfs/dbraw/zinc/58/53/11/358585311.db2.gz DQWBZWPQFKOZTJ-ZDUSSCGKSA-N 2 2 224.348 1.217 20 30 BDEDLP C=CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129349990 358585313 /nfs/dbraw/zinc/58/53/13/358585313.db2.gz DQWBZWPQFKOZTJ-ZDUSSCGKSA-N 2 2 224.348 1.217 20 30 BDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136089386 358861965 /nfs/dbraw/zinc/86/19/65/358861965.db2.gz WVFCKHMPLMIICF-NEPJUHHUSA-N 2 2 203.289 1.399 20 30 BDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136089386 358861969 /nfs/dbraw/zinc/86/19/69/358861969.db2.gz WVFCKHMPLMIICF-NEPJUHHUSA-N 2 2 203.289 1.399 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000430031887 201137938 /nfs/dbraw/zinc/13/79/38/201137938.db2.gz AFUKYXJQOWYPOU-VXGBXAGGSA-N 2 2 233.359 1.895 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1C1CC1 ZINC000430031887 201137941 /nfs/dbraw/zinc/13/79/41/201137941.db2.gz AFUKYXJQOWYPOU-VXGBXAGGSA-N 2 2 233.359 1.895 20 30 BDEDLP O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330224146 541370194 /nfs/dbraw/zinc/37/01/94/541370194.db2.gz NNEFUJVJANHVHK-LLVKDONJSA-N 2 2 234.303 1.493 20 30 BDEDLP O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330224146 541370198 /nfs/dbraw/zinc/37/01/98/541370198.db2.gz NNEFUJVJANHVHK-LLVKDONJSA-N 2 2 234.303 1.493 20 30 BDEDLP O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330224146 541370201 /nfs/dbraw/zinc/37/02/01/541370201.db2.gz NNEFUJVJANHVHK-LLVKDONJSA-N 2 2 234.303 1.493 20 30 BDEDLP O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330224146 541370205 /nfs/dbraw/zinc/37/02/05/541370205.db2.gz NNEFUJVJANHVHK-LLVKDONJSA-N 2 2 234.303 1.493 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000600769637 369562579 /nfs/dbraw/zinc/56/25/79/369562579.db2.gz QEVQPMPUMWVAOV-CQSZACIVSA-N 2 2 245.326 1.727 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000600769637 369562581 /nfs/dbraw/zinc/56/25/81/369562581.db2.gz QEVQPMPUMWVAOV-CQSZACIVSA-N 2 2 245.326 1.727 20 30 BDEDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000600769633 369563970 /nfs/dbraw/zinc/56/39/70/369563970.db2.gz QCIOZEIESNYMCL-LBPRGKRZSA-N 2 2 233.315 1.629 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[NH2+]1 ZINC000600770184 369564863 /nfs/dbraw/zinc/56/48/63/369564863.db2.gz WFFSEZBTVCQWMX-UWVGGRQHSA-N 2 2 219.288 1.381 20 30 BDEDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600770135 369564957 /nfs/dbraw/zinc/56/49/57/369564957.db2.gz VJGHZVNOAHNENT-LBPRGKRZSA-N 2 2 219.288 1.322 20 30 BDEDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600770135 369564962 /nfs/dbraw/zinc/56/49/62/369564962.db2.gz VJGHZVNOAHNENT-LBPRGKRZSA-N 2 2 219.288 1.322 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000567911637 326281761 /nfs/dbraw/zinc/28/17/61/326281761.db2.gz WKOYABFORMBGMJ-LBPRGKRZSA-N 2 2 214.353 1.197 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000567911637 326281763 /nfs/dbraw/zinc/28/17/63/326281763.db2.gz WKOYABFORMBGMJ-LBPRGKRZSA-N 2 2 214.353 1.197 20 30 BDEDLP C=C(C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000567911637 326281765 /nfs/dbraw/zinc/28/17/65/326281765.db2.gz WKOYABFORMBGMJ-LBPRGKRZSA-N 2 2 214.353 1.197 20 30 BDEDLP C=C(C)C[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000567911637 326281767 /nfs/dbraw/zinc/28/17/67/326281767.db2.gz WKOYABFORMBGMJ-LBPRGKRZSA-N 2 2 214.353 1.197 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCOC)CC1 ZINC000167403970 206143532 /nfs/dbraw/zinc/14/35/32/206143532.db2.gz HTOQKAXDIJDCPC-LBPRGKRZSA-N 2 2 226.364 1.651 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000335024795 384011458 /nfs/dbraw/zinc/01/14/58/384011458.db2.gz FETPDNVALSRHTG-STQMWFEESA-N 2 2 233.290 1.667 20 30 BDEDLP COC1CC[NH+](C(C)(C)C[NH2+]CCC#N)CC1 ZINC000569476220 384097275 /nfs/dbraw/zinc/09/72/75/384097275.db2.gz RMYIUXHBKJDOGM-UHFFFAOYSA-N 2 2 239.363 1.379 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000309583155 384157481 /nfs/dbraw/zinc/15/74/81/384157481.db2.gz UCZJHEUMOPLBKI-UHFFFAOYSA-N 2 2 215.300 1.591 20 30 BDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156557282 384882294 /nfs/dbraw/zinc/88/22/94/384882294.db2.gz GEUWTKGFIZKVNA-QWHCGFSZSA-N 2 2 217.316 1.789 20 30 BDEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156557282 384882297 /nfs/dbraw/zinc/88/22/97/384882297.db2.gz GEUWTKGFIZKVNA-QWHCGFSZSA-N 2 2 217.316 1.789 20 30 BDEDLP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1C#N ZINC000414814798 384859462 /nfs/dbraw/zinc/85/94/62/384859462.db2.gz SEKKCHPPEKNVPA-CYBMUJFWSA-N 2 2 245.326 1.394 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248491088 384865811 /nfs/dbraw/zinc/86/58/11/384865811.db2.gz INSCLHOFTIEKNI-TUAOUCFPSA-N 2 2 224.348 1.138 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248491088 384865817 /nfs/dbraw/zinc/86/58/17/384865817.db2.gz INSCLHOFTIEKNI-TUAOUCFPSA-N 2 2 224.348 1.138 20 30 BDEDLP CN(C)C(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000170906227 385454460 /nfs/dbraw/zinc/45/44/60/385454460.db2.gz ILYBMMFAEHQWMA-SECBINFHSA-N 2 2 240.376 1.227 20 30 BDEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414883015 386025012 /nfs/dbraw/zinc/02/50/12/386025012.db2.gz NGCLSROTXMLSOH-ZDUSSCGKSA-N 2 2 232.327 1.703 20 30 BDEDLP COc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1C#N ZINC000414941220 386882375 /nfs/dbraw/zinc/88/23/75/386882375.db2.gz ISQUGSLZQXHSJU-VIFPVBQESA-N 2 2 219.288 1.004 20 30 BDEDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C(C)(C)C#N ZINC000161424087 387209148 /nfs/dbraw/zinc/20/91/48/387209148.db2.gz WHBHFPRDSGQCRN-GFCCVEGCSA-N 2 2 232.331 1.958 20 30 BDEDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C(C)(C)C#N ZINC000161424087 387209156 /nfs/dbraw/zinc/20/91/56/387209156.db2.gz WHBHFPRDSGQCRN-GFCCVEGCSA-N 2 2 232.331 1.958 20 30 BDEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423529818 387358882 /nfs/dbraw/zinc/35/88/82/387358882.db2.gz VYEXTSYHXSLSET-CHWSQXEVSA-N 2 2 226.364 1.699 20 30 BDEDLP C=C(C)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000274791488 387491437 /nfs/dbraw/zinc/49/14/37/387491437.db2.gz BYSWYIZVRLQJKU-UHFFFAOYSA-N 2 2 234.347 1.508 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000327980309 387601880 /nfs/dbraw/zinc/60/18/80/387601880.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000327980309 387601883 /nfs/dbraw/zinc/60/18/83/387601883.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980309 387601885 /nfs/dbraw/zinc/60/18/85/387601885.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980309 387601888 /nfs/dbraw/zinc/60/18/88/387601888.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 3 2 237.391 1.014 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000424168336 387860131 /nfs/dbraw/zinc/86/01/31/387860131.db2.gz GDHISXKXOARBDG-VOAKCMCISA-N 2 2 224.348 1.117 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000424168336 387860138 /nfs/dbraw/zinc/86/01/38/387860138.db2.gz GDHISXKXOARBDG-VOAKCMCISA-N 2 2 224.348 1.117 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000423092179 387882619 /nfs/dbraw/zinc/88/26/19/387882619.db2.gz AUYJAGSEJXKHEG-WDEREUQCSA-N 2 2 207.321 1.268 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423125455 387905943 /nfs/dbraw/zinc/90/59/43/387905943.db2.gz QLTUKCCKXHRQDN-OASPWFOLSA-N 2 2 218.300 1.268 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318171 387968374 /nfs/dbraw/zinc/96/83/74/387968374.db2.gz CPIKYRGKVVYUPG-FMSGJZPZSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318171 387968376 /nfs/dbraw/zinc/96/83/76/387968376.db2.gz CPIKYRGKVVYUPG-FMSGJZPZSA-N 2 2 233.359 1.751 20 30 BDEDLP CC#CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156399845 387969023 /nfs/dbraw/zinc/96/90/23/387969023.db2.gz QTZFAMKCHQXZDE-ZDUSSCGKSA-N 2 2 216.284 1.558 20 30 BDEDLP CC#CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156399845 387969025 /nfs/dbraw/zinc/96/90/25/387969025.db2.gz QTZFAMKCHQXZDE-ZDUSSCGKSA-N 2 2 216.284 1.558 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423197580 387983297 /nfs/dbraw/zinc/98/32/97/387983297.db2.gz ZXPCWVIAQRIEKS-GRYCIOLGSA-N 2 2 207.321 1.410 20 30 BDEDLP C#CC[NH+](CC)CCC[N@@H+](CC)CC#C ZINC000490892553 388257889 /nfs/dbraw/zinc/25/78/89/388257889.db2.gz LUSISJHFFPHLCR-UHFFFAOYSA-N 2 2 206.333 1.287 20 30 BDEDLP C#CC[NH+](CC)CCC[N@H+](CC)CC#C ZINC000490892553 388257890 /nfs/dbraw/zinc/25/78/90/388257890.db2.gz LUSISJHFFPHLCR-UHFFFAOYSA-N 2 2 206.333 1.287 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000164696983 388397609 /nfs/dbraw/zinc/39/76/09/388397609.db2.gz VMFLAVTVVUIQNU-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164696983 388397611 /nfs/dbraw/zinc/39/76/11/388397611.db2.gz VMFLAVTVVUIQNU-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414986774 388666840 /nfs/dbraw/zinc/66/68/40/388666840.db2.gz JOOKTISCALNXTK-GFCCVEGCSA-N 2 2 233.315 1.394 20 30 BDEDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C#N)c1 ZINC000423379421 388692979 /nfs/dbraw/zinc/69/29/79/388692979.db2.gz XQCXDOMZWWLJFJ-VHSXEESVSA-N 2 2 203.289 1.556 20 30 BDEDLP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000333232618 132309855 /nfs/dbraw/zinc/30/98/55/132309855.db2.gz CJCXPPIUXBKDOL-WCQYABFASA-N 2 2 242.326 1.307 20 30 BDEDLP COCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248913769 135026520 /nfs/dbraw/zinc/02/65/20/135026520.db2.gz VSVGHUOXYXEPHE-CHWSQXEVSA-N 2 2 239.363 1.237 20 30 BDEDLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248913769 135026522 /nfs/dbraw/zinc/02/65/22/135026522.db2.gz VSVGHUOXYXEPHE-CHWSQXEVSA-N 2 2 239.363 1.237 20 30 BDEDLP N#CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000338357777 135034616 /nfs/dbraw/zinc/03/46/16/135034616.db2.gz KOEWOVROBMGQHB-UHFFFAOYSA-N 2 2 244.342 1.549 20 30 BDEDLP C=CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000308597018 135079551 /nfs/dbraw/zinc/07/95/51/135079551.db2.gz MXTDSBDUUOJWCY-UHFFFAOYSA-N 2 2 211.334 1.480 20 30 BDEDLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC1(C#N)CC1 ZINC000258895131 135135245 /nfs/dbraw/zinc/13/52/45/135135245.db2.gz KMSYVAQKKUWBSZ-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(C#N)CC1 ZINC000258895131 135135246 /nfs/dbraw/zinc/13/52/46/135135246.db2.gz KMSYVAQKKUWBSZ-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(C#N)CC1 ZINC000258895131 135135248 /nfs/dbraw/zinc/13/52/48/135135248.db2.gz KMSYVAQKKUWBSZ-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(C#N)CC1 ZINC000258895131 135135250 /nfs/dbraw/zinc/13/52/50/135135250.db2.gz KMSYVAQKKUWBSZ-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C#N)c1 ZINC000335552546 136098235 /nfs/dbraw/zinc/09/82/35/136098235.db2.gz OMMJQARVFLOMJR-GWCFXTLKSA-N 2 2 215.300 1.571 20 30 BDEDLP C#CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491800988 398074082 /nfs/dbraw/zinc/07/40/82/398074082.db2.gz BMDTUVWJQBYWLA-UHFFFAOYSA-N 2 2 248.292 1.968 20 30 BDEDLP C#CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491800988 398074086 /nfs/dbraw/zinc/07/40/86/398074086.db2.gz BMDTUVWJQBYWLA-UHFFFAOYSA-N 2 2 248.292 1.968 20 30 BDEDLP C=CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985313 487557469 /nfs/dbraw/zinc/55/74/69/487557469.db2.gz OPBXNKCIHZPRFW-CYBMUJFWSA-N 2 2 224.348 1.359 20 30 BDEDLP C=CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985313 487557470 /nfs/dbraw/zinc/55/74/70/487557470.db2.gz OPBXNKCIHZPRFW-CYBMUJFWSA-N 2 2 224.348 1.359 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658209559 411294677 /nfs/dbraw/zinc/29/46/77/411294677.db2.gz HBVOBRNEMSVZSV-OCCSQVGLSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658209559 411294679 /nfs/dbraw/zinc/29/46/79/411294679.db2.gz HBVOBRNEMSVZSV-OCCSQVGLSA-N 2 2 238.375 1.651 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253576 173042321 /nfs/dbraw/zinc/04/23/21/173042321.db2.gz VHPCDXONNVSDBX-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253576 173042323 /nfs/dbraw/zinc/04/23/23/173042323.db2.gz VHPCDXONNVSDBX-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP C[NH+](Cc1ccc(C#N)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253576 173042324 /nfs/dbraw/zinc/04/23/24/173042324.db2.gz VHPCDXONNVSDBX-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP C[NH+](Cc1ccc(C#N)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253576 173042326 /nfs/dbraw/zinc/04/23/26/173042326.db2.gz VHPCDXONNVSDBX-LBPRGKRZSA-N 2 2 247.342 1.925 20 30 BDEDLP Cc1cc(NCC2([NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000399422076 267300484 /nfs/dbraw/zinc/30/04/84/267300484.db2.gz IAZNBZQACGUZFD-UHFFFAOYSA-N 2 2 230.315 1.190 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530242909 324553360 /nfs/dbraw/zinc/55/33/60/324553360.db2.gz FFAGYLUGQMEDPX-AWEZNQCLSA-N 2 2 241.338 1.932 20 30 BDEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135180114 325399337 /nfs/dbraw/zinc/39/93/37/325399337.db2.gz YQLZJXAHXSYGEH-NSHDSACASA-N 2 2 233.315 1.583 20 30 BDEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135180114 325399340 /nfs/dbraw/zinc/39/93/40/325399340.db2.gz YQLZJXAHXSYGEH-NSHDSACASA-N 2 2 233.315 1.583 20 30 BDEDLP C#CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153988833 326123849 /nfs/dbraw/zinc/12/38/49/326123849.db2.gz KZIQOHXQXGBEDY-GJZGRUSLSA-N 2 2 249.402 1.110 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675496595 487741181 /nfs/dbraw/zinc/74/11/81/487741181.db2.gz USXRZUWARJARQZ-KGLIPLIRSA-N 2 2 240.391 1.776 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675496595 487741189 /nfs/dbraw/zinc/74/11/89/487741189.db2.gz USXRZUWARJARQZ-KGLIPLIRSA-N 2 2 240.391 1.776 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000678080432 488193324 /nfs/dbraw/zinc/19/33/24/488193324.db2.gz DZAPIWMJAHPZKK-KBPBESRZSA-N 2 2 247.342 1.416 20 30 BDEDLP COCC#CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000678080432 488193327 /nfs/dbraw/zinc/19/33/27/488193327.db2.gz DZAPIWMJAHPZKK-KBPBESRZSA-N 2 2 247.342 1.416 20 30 BDEDLP C=C(CC)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000358494388 534372660 /nfs/dbraw/zinc/37/26/60/534372660.db2.gz FQDNYWPNTRAZFX-UHFFFAOYSA-N 2 2 226.364 1.341 20 30 BDEDLP C=C(CC)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000358494388 534372667 /nfs/dbraw/zinc/37/26/67/534372667.db2.gz FQDNYWPNTRAZFX-UHFFFAOYSA-N 2 2 226.364 1.341 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000854231426 588780932 /nfs/dbraw/zinc/78/09/32/588780932.db2.gz HWPFVHXHKGJZAO-NWDGAFQWSA-N 2 2 247.342 1.847 20 30 BDEDLP CC#CC[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000895098255 583588407 /nfs/dbraw/zinc/58/84/07/583588407.db2.gz YGPRFZRLBQFVRP-OAHLLOKOSA-N 2 2 246.354 1.687 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc(NC)[nH+]cn2)CC1 ZINC000895810530 583730125 /nfs/dbraw/zinc/73/01/25/583730125.db2.gz FHGIWIFFYYHWGE-UHFFFAOYSA-N 2 2 245.330 1.028 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc(NC)nc[nH+]2)CC1 ZINC000895810530 583730127 /nfs/dbraw/zinc/73/01/27/583730127.db2.gz FHGIWIFFYYHWGE-UHFFFAOYSA-N 2 2 245.330 1.028 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000903105396 584728058 /nfs/dbraw/zinc/72/80/58/584728058.db2.gz CASJXEGMWNABJG-AVGNSLFASA-N 2 2 233.359 1.753 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000903105396 584728059 /nfs/dbraw/zinc/72/80/59/584728059.db2.gz CASJXEGMWNABJG-AVGNSLFASA-N 2 2 233.359 1.753 20 30 BDEDLP N#CC1(CCCC[N@H+](CC[NH3+])CCO)CCC1 ZINC000903744591 584796450 /nfs/dbraw/zinc/79/64/50/584796450.db2.gz VLEDZXAUAHVFNQ-UHFFFAOYSA-N 2 2 239.363 1.104 20 30 BDEDLP N#CC1(CCCC[N@@H+](CC[NH3+])CCO)CCC1 ZINC000903744591 584796452 /nfs/dbraw/zinc/79/64/52/584796452.db2.gz VLEDZXAUAHVFNQ-UHFFFAOYSA-N 2 2 239.363 1.104 20 30 BDEDLP C=CCOc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960746 584828128 /nfs/dbraw/zinc/82/81/28/584828128.db2.gz XPRXVIBONYSPLY-IUODEOHRSA-N 2 2 246.354 1.949 20 30 BDEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)C(C)C ZINC000838794007 585068694 /nfs/dbraw/zinc/06/86/94/585068694.db2.gz QQQCTMAIWNJXHQ-UHFFFAOYSA-N 2 2 207.321 1.859 20 30 BDEDLP C=CC[N@H+](CCc1c[nH+]cn1C)C(C)C ZINC000838794007 585068695 /nfs/dbraw/zinc/06/86/95/585068695.db2.gz QQQCTMAIWNJXHQ-UHFFFAOYSA-N 2 2 207.321 1.859 20 30 BDEDLP C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000741386904 585113110 /nfs/dbraw/zinc/11/31/10/585113110.db2.gz NIKMBDSEWUTMDS-KGLIPLIRSA-N 2 2 248.374 1.704 20 30 BDEDLP C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000741386904 585113111 /nfs/dbraw/zinc/11/31/11/585113111.db2.gz NIKMBDSEWUTMDS-KGLIPLIRSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@@H](C#N)CCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000741386904 585113112 /nfs/dbraw/zinc/11/31/12/585113112.db2.gz NIKMBDSEWUTMDS-KGLIPLIRSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@@H](C#N)CCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000741386904 585113113 /nfs/dbraw/zinc/11/31/13/585113113.db2.gz NIKMBDSEWUTMDS-KGLIPLIRSA-N 2 2 248.374 1.704 20 30 BDEDLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1C#N ZINC000767692733 585524819 /nfs/dbraw/zinc/52/48/19/585524819.db2.gz YYHZYCPNSLXIDP-CQSZACIVSA-N 2 2 229.327 1.660 20 30 BDEDLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1C#N ZINC000767692733 585524820 /nfs/dbraw/zinc/52/48/20/585524820.db2.gz YYHZYCPNSLXIDP-CQSZACIVSA-N 2 2 229.327 1.660 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000783294666 585833205 /nfs/dbraw/zinc/83/32/05/585833205.db2.gz RYPZESAEWKWCKB-AAEUAGOBSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000783294666 585833206 /nfs/dbraw/zinc/83/32/06/585833206.db2.gz RYPZESAEWKWCKB-AAEUAGOBSA-N 2 2 244.342 1.526 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000785996559 585884700 /nfs/dbraw/zinc/88/47/00/585884700.db2.gz DVMLKKCJDNGTIX-ZIAGYGMSSA-N 2 2 238.375 1.484 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000785996559 585884701 /nfs/dbraw/zinc/88/47/01/585884701.db2.gz DVMLKKCJDNGTIX-ZIAGYGMSSA-N 2 2 238.375 1.484 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000801918560 586276204 /nfs/dbraw/zinc/27/62/04/586276204.db2.gz RCMVIXCADZWDMX-OLZOCXBDSA-N 2 2 248.330 1.449 20 30 BDEDLP C[C@H](C#N)OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000801918560 586276205 /nfs/dbraw/zinc/27/62/05/586276205.db2.gz RCMVIXCADZWDMX-OLZOCXBDSA-N 2 2 248.330 1.449 20 30 BDEDLP C#C[C@@H](C)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000825710203 587333396 /nfs/dbraw/zinc/33/33/96/587333396.db2.gz IOVQVAPLNRWMLP-GFCCVEGCSA-N 2 2 240.310 1.721 20 30 BDEDLP C#C[C@@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000825710203 587333398 /nfs/dbraw/zinc/33/33/98/587333398.db2.gz IOVQVAPLNRWMLP-GFCCVEGCSA-N 2 2 240.310 1.721 20 30 BDEDLP C#C[C@H](C)[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000825709745 587333800 /nfs/dbraw/zinc/33/38/00/587333800.db2.gz ANQGTSCMXCPMQF-JTQLQIEISA-N 2 2 203.289 1.283 20 30 BDEDLP C#C[C@H](C)[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000825709745 587333802 /nfs/dbraw/zinc/33/38/02/587333802.db2.gz ANQGTSCMXCPMQF-JTQLQIEISA-N 2 2 203.289 1.283 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830629986 587561361 /nfs/dbraw/zinc/56/13/61/587561361.db2.gz CPWCIUITEAARJD-UHFFFAOYSA-N 2 2 244.766 1.536 20 30 BDEDLP C=C(Cl)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830629986 587561362 /nfs/dbraw/zinc/56/13/62/587561362.db2.gz CPWCIUITEAARJD-UHFFFAOYSA-N 2 2 244.766 1.536 20 30 BDEDLP C[C@@H]1CC(N=NCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000848417669 588382018 /nfs/dbraw/zinc/38/20/18/588382018.db2.gz DJZUSAFKNONHFH-GFCCVEGCSA-N 2 2 249.362 1.333 20 30 BDEDLP C[C@@H]1CC(N=NCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000848417669 588382020 /nfs/dbraw/zinc/38/20/20/588382020.db2.gz DJZUSAFKNONHFH-GFCCVEGCSA-N 2 2 249.362 1.333 20 30 BDEDLP CN(C)C(=[NH+]CCCCn1cc[nH+]c1)N(C)C ZINC000848995585 588428809 /nfs/dbraw/zinc/42/88/09/588428809.db2.gz SYCWHQRCMMHICI-UHFFFAOYSA-N 2 2 237.351 1.143 20 30 BDEDLP CCNC(NCc1c[nH+]c2n1CCCC2)=[NH+]CC ZINC000849001989 588431192 /nfs/dbraw/zinc/43/11/92/588431192.db2.gz GNVIHFABSDCDCB-UHFFFAOYSA-N 2 2 249.362 1.294 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000851752531 588623889 /nfs/dbraw/zinc/62/38/89/588623889.db2.gz DFANVLANVCGJEC-CYBMUJFWSA-N 2 2 233.315 1.170 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000851752531 588623890 /nfs/dbraw/zinc/62/38/90/588623890.db2.gz DFANVLANVCGJEC-CYBMUJFWSA-N 2 2 233.315 1.170 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]O[C@@H]1CCCCO1 ZINC000872360250 589918878 /nfs/dbraw/zinc/91/88/78/589918878.db2.gz FXMAMTGHEZBVCA-LLVKDONJSA-N 2 2 235.287 1.849 20 30 BDEDLP CCNc1ccccc1C=[NH+]NC1=[NH+]C[C@H](C)N1 ZINC000872364436 589920862 /nfs/dbraw/zinc/92/08/62/589920862.db2.gz LFMBFNPVJPQPNM-JTQLQIEISA-N 2 2 245.330 1.390 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000883441297 591668068 /nfs/dbraw/zinc/66/80/68/591668068.db2.gz LKFZSSKPNKPMCF-GHMZBOCLSA-N 2 2 219.288 1.367 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(CC)n2)C1 ZINC000884610379 591993733 /nfs/dbraw/zinc/99/37/33/591993733.db2.gz KUIYOILYPPXSTO-LBPRGKRZSA-N 2 2 244.342 1.549 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(CC)n2)C1 ZINC000884610379 591993736 /nfs/dbraw/zinc/99/37/36/591993736.db2.gz KUIYOILYPPXSTO-LBPRGKRZSA-N 2 2 244.342 1.549 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000884610504 591993768 /nfs/dbraw/zinc/99/37/68/591993768.db2.gz NWZUHLZPCCLWSM-GFCCVEGCSA-N 2 2 230.315 1.295 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000884610504 591993769 /nfs/dbraw/zinc/99/37/69/591993769.db2.gz NWZUHLZPCCLWSM-GFCCVEGCSA-N 2 2 230.315 1.295 20 30 BDEDLP C#CC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886707810 592308294 /nfs/dbraw/zinc/30/82/94/592308294.db2.gz SHBSLAPPGRSFJG-UHFFFAOYSA-N 2 2 206.333 1.570 20 30 BDEDLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000925657943 634223059 /nfs/dbraw/zinc/22/30/59/634223059.db2.gz VOCNEPFNJWCIGB-SNVBAGLBSA-N 2 2 207.321 1.410 20 30 BDEDLP C=CC[NH+](CC=C)C[C@@H](O)C[NH+]1CCCC1 ZINC000906609958 638224069 /nfs/dbraw/zinc/22/40/69/638224069.db2.gz VCHBNVJVRRHDFL-CYBMUJFWSA-N 2 2 224.348 1.117 20 30 BDEDLP CC(C)(C#N)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514539 640242365 /nfs/dbraw/zinc/24/23/65/640242365.db2.gz AKMGFHLQARBLCX-UHFFFAOYSA-N 2 2 244.342 1.962 20 30 BDEDLP CC(C)(C#N)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514539 640242368 /nfs/dbraw/zinc/24/23/68/640242368.db2.gz AKMGFHLQARBLCX-UHFFFAOYSA-N 2 2 244.342 1.962 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518095 640244863 /nfs/dbraw/zinc/24/48/63/640244863.db2.gz HFVBAEULTMLKFR-MNOVXSKESA-N 2 2 242.326 1.714 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518095 640244867 /nfs/dbraw/zinc/24/48/67/640244867.db2.gz HFVBAEULTMLKFR-MNOVXSKESA-N 2 2 242.326 1.714 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520168 640249161 /nfs/dbraw/zinc/24/91/61/640249161.db2.gz WWQWJFMMOJHUKR-JTQLQIEISA-N 2 2 230.315 1.714 20 30 BDEDLP C[C@@H](CCC#N)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520168 640249167 /nfs/dbraw/zinc/24/91/67/640249167.db2.gz WWQWJFMMOJHUKR-JTQLQIEISA-N 2 2 230.315 1.714 20 30 BDEDLP C#CC[N@@H+](CCc1c[nH+]cn1C)C(C)(C)C ZINC000932462066 640535188 /nfs/dbraw/zinc/53/51/88/640535188.db2.gz NSOSUSURVFNWGT-UHFFFAOYSA-N 2 2 219.332 1.696 20 30 BDEDLP C#CC[N@H+](CCc1c[nH+]cn1C)C(C)(C)C ZINC000932462066 640535194 /nfs/dbraw/zinc/53/51/94/640535194.db2.gz NSOSUSURVFNWGT-UHFFFAOYSA-N 2 2 219.332 1.696 20 30 BDEDLP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000934463931 641156126 /nfs/dbraw/zinc/15/61/26/641156126.db2.gz LAWUBBHPUAROPC-STQMWFEESA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000934463931 641156128 /nfs/dbraw/zinc/15/61/28/641156128.db2.gz LAWUBBHPUAROPC-STQMWFEESA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000934463931 641156133 /nfs/dbraw/zinc/15/61/33/641156133.db2.gz LAWUBBHPUAROPC-STQMWFEESA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000934463931 641156137 /nfs/dbraw/zinc/15/61/37/641156137.db2.gz LAWUBBHPUAROPC-STQMWFEESA-N 2 2 224.348 1.092 20 30 BDEDLP C[NH+](C)CCC[NH2+]Cc1csc(C#N)c1 ZINC000921474428 642633085 /nfs/dbraw/zinc/63/30/85/642633085.db2.gz XXJZFQGMELLVJA-UHFFFAOYSA-N 2 2 223.345 1.661 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329362 644347773 /nfs/dbraw/zinc/34/77/73/644347773.db2.gz HOTOMLZJDSRHHW-OLZOCXBDSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329362 644347777 /nfs/dbraw/zinc/34/77/77/644347777.db2.gz HOTOMLZJDSRHHW-OLZOCXBDSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925350296 646251214 /nfs/dbraw/zinc/25/12/14/646251214.db2.gz GBKVFLAJMIOCGG-NWDGAFQWSA-N 2 2 226.389 1.589 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925350296 646251216 /nfs/dbraw/zinc/25/12/16/646251216.db2.gz GBKVFLAJMIOCGG-NWDGAFQWSA-N 2 2 226.389 1.589 20 30 BDEDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000925702877 646426680 /nfs/dbraw/zinc/42/66/80/646426680.db2.gz FQUXTIDYHDGQHF-DOMZBBRYSA-N 2 2 243.354 1.983 20 30 BDEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925714933 646439078 /nfs/dbraw/zinc/43/90/78/646439078.db2.gz ZNALZHMEHYXJCS-RDBSUJKOSA-N 2 2 238.375 1.699 20 30 BDEDLP C=CCSCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396656322 711362342 /nfs/dbraw/zinc/36/23/42/711362342.db2.gz MQCGRPQHZVMYOX-QWRGUYRKSA-N 2 2 214.378 1.636 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnn1CCC ZINC000328077636 711689365 /nfs/dbraw/zinc/68/93/65/711689365.db2.gz GANWCJFXLZQRDM-UHFFFAOYSA-N 2 2 248.374 1.338 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnn1CCC ZINC000328077636 711689367 /nfs/dbraw/zinc/68/93/67/711689367.db2.gz GANWCJFXLZQRDM-UHFFFAOYSA-N 2 2 248.374 1.338 20 30 BDEDLP N#CCC[N@@H+](CCCC[NH3+])Cc1cccnc1 ZINC001205539361 967682120 /nfs/dbraw/zinc/68/21/20/967682120.db2.gz XMEADZKCMVQQCQ-UHFFFAOYSA-N 2 2 232.331 1.536 20 30 BDEDLP N#CCC[N@H+](CCCC[NH3+])Cc1cccnc1 ZINC001205539361 967682133 /nfs/dbraw/zinc/68/21/33/967682133.db2.gz XMEADZKCMVQQCQ-UHFFFAOYSA-N 2 2 232.331 1.536 20 30 BDEDLP CC[NH+](CC)C[C@@H](O)C[NH2+]CC#CC(C)(C)C ZINC001253213588 969111921 /nfs/dbraw/zinc/11/19/21/969111921.db2.gz NEIMOJKQJKFPSL-ZDUSSCGKSA-N 2 2 240.391 1.328 20 30 BDEDLP C#CC[NH+](CC#C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532536 969733489 /nfs/dbraw/zinc/73/34/89/969733489.db2.gz UPWIUXRYUIKETP-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](CC#C)[C@H]1CCC[N@H+](C)CC1 ZINC001254532536 969733495 /nfs/dbraw/zinc/73/34/95/969733495.db2.gz UPWIUXRYUIKETP-ZDUSSCGKSA-N 2 2 204.317 1.039 20 30 BDEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001336763769 977932634 /nfs/dbraw/zinc/93/26/34/977932634.db2.gz RSTPMRFANYYFGE-UONOGXRCSA-N 2 2 248.374 1.750 20 30 BDEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001336763769 977932650 /nfs/dbraw/zinc/93/26/50/977932650.db2.gz RSTPMRFANYYFGE-UONOGXRCSA-N 2 2 248.374 1.750 20 30 BDEDLP C=CCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235960391 979229469 /nfs/dbraw/zinc/22/94/69/979229469.db2.gz KTGLQSZQPHOEIF-UONOGXRCSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCCCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235960391 979229477 /nfs/dbraw/zinc/22/94/77/979229477.db2.gz KTGLQSZQPHOEIF-UONOGXRCSA-N 2 2 240.391 1.907 20 30 BDEDLP C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C[NH3+] ZINC000708840862 959913320 /nfs/dbraw/zinc/91/33/20/959913320.db2.gz MUUMEDLIOVCJIR-GXFFZTMASA-N 2 2 247.317 1.724 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C[NH3+] ZINC000708840862 959913327 /nfs/dbraw/zinc/91/33/27/959913327.db2.gz MUUMEDLIOVCJIR-GXFFZTMASA-N 2 2 247.317 1.724 20 30 BDEDLP CCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204956341 962243275 /nfs/dbraw/zinc/24/32/75/962243275.db2.gz NIBWNRQPUXQDRI-CHWSQXEVSA-N 2 2 228.380 1.741 20 30 BDEDLP CCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204956341 962243295 /nfs/dbraw/zinc/24/32/95/962243295.db2.gz NIBWNRQPUXQDRI-CHWSQXEVSA-N 2 2 228.380 1.741 20 30 BDEDLP C[C@H](CC[NH2+]Cc1ccc(C#N)o1)[NH+](C)C ZINC000697884626 964607367 /nfs/dbraw/zinc/60/73/67/964607367.db2.gz AXJWACFXMMCEAP-SNVBAGLBSA-N 2 2 221.304 1.581 20 30 BDEDLP C[C@@]1([NH3+])C[C@H](Nc2cc(CC#N)cc[nH+]2)C1 ZINC001162328962 964933836 /nfs/dbraw/zinc/93/38/36/964933836.db2.gz UGSLDEMJBJYXRG-KLPPZKSPSA-N 2 2 216.288 1.439 20 30 BDEDLP N#CCc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162391933 964951904 /nfs/dbraw/zinc/95/19/04/964951904.db2.gz OPORWEXJFHTNAV-VXGBXAGGSA-N 2 2 230.315 1.829 20 30 BDEDLP C#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990164 966210406 /nfs/dbraw/zinc/21/04/06/966210406.db2.gz LMDJUDSCJXKNHB-GJZGRUSLSA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990164 966210415 /nfs/dbraw/zinc/21/04/15/966210415.db2.gz LMDJUDSCJXKNHB-GJZGRUSLSA-N 2 2 226.323 1.591 20 30 BDEDLP C[C@@]1([NH3+])CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001204763397 967152585 /nfs/dbraw/zinc/15/25/85/967152585.db2.gz ISAMIUUDKWGUOE-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP C[C@@]1([NH3+])CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001204763397 967152602 /nfs/dbraw/zinc/15/26/02/967152602.db2.gz ISAMIUUDKWGUOE-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP C=CCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204953598 967256449 /nfs/dbraw/zinc/25/64/49/967256449.db2.gz BLLKUDABPJDYGS-ZIAGYGMSSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204953598 967256457 /nfs/dbraw/zinc/25/64/57/967256457.db2.gz BLLKUDABPJDYGS-ZIAGYGMSSA-N 2 2 240.391 1.907 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206185226 968114571 /nfs/dbraw/zinc/11/45/71/968114571.db2.gz MAAPRZDKAQTUAV-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206185226 968114576 /nfs/dbraw/zinc/11/45/76/968114576.db2.gz MAAPRZDKAQTUAV-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[NH+](C)C ZINC000829179726 968820654 /nfs/dbraw/zinc/82/06/54/968820654.db2.gz OLIPFUYFXMELGV-QWRGUYRKSA-N 2 2 211.353 1.854 20 30 BDEDLP C=C[C@](C)(O)C[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001252585389 968839285 /nfs/dbraw/zinc/83/92/85/968839285.db2.gz NAMPJLNIMLOTAE-ZDUSSCGKSA-N 2 2 231.299 1.361 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001252614312 968872325 /nfs/dbraw/zinc/87/23/25/968872325.db2.gz HZEWUPZKFXOEJJ-CHWSQXEVSA-N 2 2 226.364 1.387 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001171180546 972819146 /nfs/dbraw/zinc/81/91/46/972819146.db2.gz BBHFOKITFNSKPH-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001171180546 972819147 /nfs/dbraw/zinc/81/91/47/972819147.db2.gz BBHFOKITFNSKPH-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP C[Si](C)(C)C#C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001171330191 973830485 /nfs/dbraw/zinc/83/04/85/973830485.db2.gz QBNGFFJKPHUPFX-LLVKDONJSA-N 2 2 210.397 1.556 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172294691 974563544 /nfs/dbraw/zinc/56/35/44/974563544.db2.gz KFAOYZPREDRXPQ-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172294691 974563554 /nfs/dbraw/zinc/56/35/54/974563554.db2.gz KFAOYZPREDRXPQ-SWLSCSKDSA-N 2 2 243.354 1.912 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC000721532541 977082695 /nfs/dbraw/zinc/08/26/95/977082695.db2.gz LENQDGJMSWKMSR-UHFFFAOYSA-N 2 2 230.315 1.137 20 30 BDEDLP CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)n1cc[nH+]c1 ZINC001336051379 977463887 /nfs/dbraw/zinc/46/38/87/977463887.db2.gz PLAWAAHFGPBCCN-GFCCVEGCSA-N 2 2 245.330 1.651 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 ZINC001336821038 977981964 /nfs/dbraw/zinc/98/19/64/977981964.db2.gz YCESLXBIIAWBES-NWDGAFQWSA-N 2 2 243.314 1.231 20 30 BDEDLP C=CCCCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205347379 980360305 /nfs/dbraw/zinc/36/03/05/980360305.db2.gz MVVNFZWBNREQBF-CHWSQXEVSA-N 2 2 226.364 1.517 20 30 BDEDLP C=CCCCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205347379 980360314 /nfs/dbraw/zinc/36/03/14/980360314.db2.gz MVVNFZWBNREQBF-CHWSQXEVSA-N 2 2 226.364 1.517 20 30 BDEDLP C#C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001353297163 982823298 /nfs/dbraw/zinc/82/32/98/982823298.db2.gz DCCJFMXBBQFYHU-UKRRQHHQSA-N 2 2 246.354 1.091 20 30 BDEDLP C#C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001353297163 982823301 /nfs/dbraw/zinc/82/33/01/982823301.db2.gz DCCJFMXBBQFYHU-UKRRQHHQSA-N 2 2 246.354 1.091 20 30 BDEDLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001578241824 984894924 /nfs/dbraw/zinc/89/49/24/984894924.db2.gz NHEJFKDBTSYTSD-KKOKHZNYSA-N 2 2 207.321 1.409 20 30 BDEDLP C[N@H+](Cc1cc(C#N)ccn1)CC(C)(C)C[NH3+] ZINC001578486435 985117952 /nfs/dbraw/zinc/11/79/52/985117952.db2.gz WAMHAQCRFICZIR-UHFFFAOYSA-N 2 2 232.331 1.370 20 30 BDEDLP C[N@@H+](Cc1cc(C#N)ccn1)CC(C)(C)C[NH3+] ZINC001578486435 985117965 /nfs/dbraw/zinc/11/79/65/985117965.db2.gz WAMHAQCRFICZIR-UHFFFAOYSA-N 2 2 232.331 1.370 20 30 BDEDLP COCC[C@@H]([NH3+])C[NH2+]Cc1ccc(C#N)s1 ZINC001579004351 985660516 /nfs/dbraw/zinc/66/05/16/985660516.db2.gz SHCZJOKAWXGCSA-SECBINFHSA-N 2 2 239.344 1.073 20 30 BDEDLP CCCCCCCC[C@@H](O)C[N@H+](C)CC[NH3+] ZINC001246014785 987296747 /nfs/dbraw/zinc/29/67/47/987296747.db2.gz QVTHASXRYZHCBI-CYBMUJFWSA-N 2 2 230.396 1.988 20 30 BDEDLP CCCCCCCC[C@@H](O)C[N@@H+](C)CC[NH3+] ZINC001246014785 987296761 /nfs/dbraw/zinc/29/67/61/987296761.db2.gz QVTHASXRYZHCBI-CYBMUJFWSA-N 2 2 230.396 1.988 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246112657 987450017 /nfs/dbraw/zinc/45/00/17/987450017.db2.gz RAMVTKYOQNEVKK-DCAQKATOSA-N 2 2 213.300 1.358 20 30 BDEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)C[C@H](C1)C2 ZINC001246558260 987979212 /nfs/dbraw/zinc/97/92/12/987979212.db2.gz PWGKUPZHAOJDJL-QZQCMHJZSA-N 2 2 236.359 1.125 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585282 988131075 /nfs/dbraw/zinc/13/10/75/988131075.db2.gz ZTMLEDKARNNPNA-UPJWGTAASA-N 2 2 239.338 1.832 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585282 988131081 /nfs/dbraw/zinc/13/10/81/988131081.db2.gz ZTMLEDKARNNPNA-UPJWGTAASA-N 2 2 239.338 1.832 20 30 BDEDLP N#CCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC001118237849 988138357 /nfs/dbraw/zinc/13/83/57/988138357.db2.gz NCUYSPUHLYCROS-MRVPVSSYSA-N 2 2 235.291 1.101 20 30 BDEDLP C=CCO[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC001320037523 992079147 /nfs/dbraw/zinc/07/91/47/992079147.db2.gz GWMRWMMDZPVUAN-ZDUSSCGKSA-N 2 2 235.331 1.468 20 30 BDEDLP C=CCO[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC001320037523 992079154 /nfs/dbraw/zinc/07/91/54/992079154.db2.gz GWMRWMMDZPVUAN-ZDUSSCGKSA-N 2 2 235.331 1.468 20 30 BDEDLP C=CCn1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nn1 ZINC000424376989 398182241 /nfs/dbraw/zinc/18/22/41/398182241.db2.gz LYQTUOLLDDKOJB-STQMWFEESA-N 2 2 249.362 1.214 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000309497524 136218865 /nfs/dbraw/zinc/21/88/65/136218865.db2.gz YWBNXCJYCFNEIA-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000602512592 349586302 /nfs/dbraw/zinc/58/63/02/349586302.db2.gz VPCJAEXOQPATRW-RYUDHWBXSA-N 2 2 220.320 1.801 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602544602 349588640 /nfs/dbraw/zinc/58/86/40/349588640.db2.gz MQVOIRQZPHYABJ-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000602544602 349588644 /nfs/dbraw/zinc/58/86/44/349588644.db2.gz MQVOIRQZPHYABJ-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000602620780 349641521 /nfs/dbraw/zinc/64/15/21/349641521.db2.gz GDYMCUGEMVMXRW-RYUDHWBXSA-N 2 2 232.331 1.727 20 30 BDEDLP C=CCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000336684279 346911201 /nfs/dbraw/zinc/91/12/01/346911201.db2.gz KHYPNGQMBJGPKR-RYUDHWBXSA-N 2 2 212.337 1.309 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+](C)CC(C)(C)C#N ZINC000602831929 349767884 /nfs/dbraw/zinc/76/78/84/349767884.db2.gz LXJKVUDKHHUXKK-UHFFFAOYSA-N 2 2 220.320 1.444 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+](C)CC(C)(C)C#N ZINC000602831929 349767887 /nfs/dbraw/zinc/76/78/87/349767887.db2.gz LXJKVUDKHHUXKK-UHFFFAOYSA-N 2 2 220.320 1.444 20 30 BDEDLP C[C@H](CC#N)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000602864288 349795903 /nfs/dbraw/zinc/79/59/03/349795903.db2.gz RRIOCNODIXXKLX-VXGBXAGGSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@H](CC#N)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000602864288 349795905 /nfs/dbraw/zinc/79/59/05/349795905.db2.gz RRIOCNODIXXKLX-VXGBXAGGSA-N 2 2 209.337 1.753 20 30 BDEDLP COCC[N@H+](CCC#N)CCn1cc[nH+]c1C ZINC000071230866 343636815 /nfs/dbraw/zinc/63/68/15/343636815.db2.gz PMZRIXYYXISZGY-UHFFFAOYSA-N 2 2 236.319 1.054 20 30 BDEDLP COCC[N@@H+](CCC#N)CCn1cc[nH+]c1C ZINC000071230866 343636816 /nfs/dbraw/zinc/63/68/16/343636816.db2.gz PMZRIXYYXISZGY-UHFFFAOYSA-N 2 2 236.319 1.054 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC#N)CC[C@@H]21 ZINC000129115355 344210803 /nfs/dbraw/zinc/21/08/03/344210803.db2.gz BQOBFIAGAFBRHR-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CCC#N)CC[C@@H]21 ZINC000129115355 344210805 /nfs/dbraw/zinc/21/08/05/344210805.db2.gz BQOBFIAGAFBRHR-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CCC#N)CC[C@@H]21 ZINC000129115355 344210806 /nfs/dbraw/zinc/21/08/06/344210806.db2.gz BQOBFIAGAFBRHR-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC#N)CC[C@@H]21 ZINC000129115355 344210808 /nfs/dbraw/zinc/21/08/08/344210808.db2.gz BQOBFIAGAFBRHR-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309471689 347071500 /nfs/dbraw/zinc/07/15/00/347071500.db2.gz RDNRETXPCLBUSW-JHJVBQTASA-N 2 2 221.348 1.610 20 30 BDEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309471689 347071501 /nfs/dbraw/zinc/07/15/01/347071501.db2.gz RDNRETXPCLBUSW-JHJVBQTASA-N 2 2 221.348 1.610 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cncn2C)CC1 ZINC000237921831 344934256 /nfs/dbraw/zinc/93/42/56/344934256.db2.gz QZKHKAUDJSGUEJ-UHFFFAOYSA-N 2 2 234.347 1.160 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nccnc1C ZINC000295060231 346352200 /nfs/dbraw/zinc/35/22/00/346352200.db2.gz RCZODHCHKMGHOD-LBPRGKRZSA-N 2 2 246.358 1.391 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nccnc1C ZINC000295060231 346352203 /nfs/dbraw/zinc/35/22/03/346352203.db2.gz RCZODHCHKMGHOD-LBPRGKRZSA-N 2 2 246.358 1.391 20 30 BDEDLP C=CCCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)nn1 ZINC000641802169 362757776 /nfs/dbraw/zinc/75/77/76/362757776.db2.gz YPCVTPVQRLCMOI-NEPJUHHUSA-N 2 2 249.362 1.070 20 30 BDEDLP N#CCCOCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590159160 346783129 /nfs/dbraw/zinc/78/31/29/346783129.db2.gz XWETUTIMCDZPDF-CYBMUJFWSA-N 2 2 248.330 1.450 20 30 BDEDLP C=CCC[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363879297 347138228 /nfs/dbraw/zinc/13/82/28/347138228.db2.gz LFEVCZBZYPWOPV-CYBMUJFWSA-N 2 2 249.358 1.916 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000309769835 347159276 /nfs/dbraw/zinc/15/92/76/347159276.db2.gz KEUXSURVADOBAH-FDYHWXHSSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000309769835 347159277 /nfs/dbraw/zinc/15/92/77/347159277.db2.gz KEUXSURVADOBAH-FDYHWXHSSA-N 2 2 221.348 1.751 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000591579944 347677476 /nfs/dbraw/zinc/67/74/76/347677476.db2.gz ATCFQMWCFGYUFO-RHYQMDGZSA-N 2 2 225.311 1.358 20 30 BDEDLP N#CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000594611002 348082569 /nfs/dbraw/zinc/08/25/69/348082569.db2.gz BBOBYBPEVVHCBL-ZDUSSCGKSA-N 2 2 249.358 1.133 20 30 BDEDLP C[C@@]1(C#N)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000595843860 348381351 /nfs/dbraw/zinc/38/13/51/348381351.db2.gz OAHMOPPNPXRDSD-LBPRGKRZSA-N 2 2 218.304 1.509 20 30 BDEDLP C[C@@]1(C#N)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000595843860 348381352 /nfs/dbraw/zinc/38/13/52/348381352.db2.gz OAHMOPPNPXRDSD-LBPRGKRZSA-N 2 2 218.304 1.509 20 30 BDEDLP C[NH2+][C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894234 348390996 /nfs/dbraw/zinc/39/09/96/348390996.db2.gz SNAGXQWZXHBXQU-HNNXBMFYSA-N 2 2 243.354 1.785 20 30 BDEDLP C[NH2+][C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894234 348390997 /nfs/dbraw/zinc/39/09/97/348390997.db2.gz SNAGXQWZXHBXQU-HNNXBMFYSA-N 2 2 243.354 1.785 20 30 BDEDLP N#Cc1cccc(C2([NH2+]CC[NH3+])CCOCC2)c1 ZINC000595908973 348397944 /nfs/dbraw/zinc/39/79/44/348397944.db2.gz KHOYZTVPTVKIRL-UHFFFAOYSA-N 2 2 245.326 1.112 20 30 BDEDLP N#Cc1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000598679789 349021797 /nfs/dbraw/zinc/02/17/97/349021797.db2.gz NBXIBBWKYYYLFQ-UHFFFAOYSA-N 2 2 215.300 1.529 20 30 BDEDLP CC#CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336647415 350417391 /nfs/dbraw/zinc/41/73/91/350417391.db2.gz MLMYVXJCXPXEEE-UHFFFAOYSA-N 2 2 208.349 1.814 20 30 BDEDLP CC#CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336647415 350417393 /nfs/dbraw/zinc/41/73/93/350417393.db2.gz MLMYVXJCXPXEEE-UHFFFAOYSA-N 2 2 208.349 1.814 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000577530367 365980877 /nfs/dbraw/zinc/98/08/77/365980877.db2.gz HQSNDHORXBUONJ-NEPJUHHUSA-N 2 2 221.304 1.162 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1C ZINC000129174771 351007950 /nfs/dbraw/zinc/00/79/50/351007950.db2.gz RTKVBEDSSAVGLX-MNOVXSKESA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1C ZINC000129174771 351007952 /nfs/dbraw/zinc/00/79/52/351007952.db2.gz RTKVBEDSSAVGLX-MNOVXSKESA-N 2 2 209.337 1.608 20 30 BDEDLP C=C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336764668 353257015 /nfs/dbraw/zinc/25/70/15/353257015.db2.gz QLPRWECIKVHVAO-VIFPVBQESA-N 2 2 225.361 1.869 20 30 BDEDLP C=CCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000132937831 353389290 /nfs/dbraw/zinc/38/92/90/353389290.db2.gz NGGLKMOQTHZCBC-UHFFFAOYSA-N 2 2 247.342 1.788 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296476 353407197 /nfs/dbraw/zinc/40/71/97/353407197.db2.gz DGJXSAQJMGDJCD-OLZOCXBDSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296476 353407200 /nfs/dbraw/zinc/40/72/00/353407200.db2.gz DGJXSAQJMGDJCD-OLZOCXBDSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296476 353407202 /nfs/dbraw/zinc/40/72/02/353407202.db2.gz DGJXSAQJMGDJCD-OLZOCXBDSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296476 353407206 /nfs/dbraw/zinc/40/72/06/353407206.db2.gz DGJXSAQJMGDJCD-OLZOCXBDSA-N 2 2 235.375 1.952 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000336779128 353546244 /nfs/dbraw/zinc/54/62/44/353546244.db2.gz NGHLUMAALLHOHV-STQMWFEESA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000336779128 353546246 /nfs/dbraw/zinc/54/62/46/353546246.db2.gz NGHLUMAALLHOHV-STQMWFEESA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336782200 353710633 /nfs/dbraw/zinc/71/06/33/353710633.db2.gz WXZCWTNAOFBICF-OLZOCXBDSA-N 2 2 226.364 1.509 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336782200 353710637 /nfs/dbraw/zinc/71/06/37/353710637.db2.gz WXZCWTNAOFBICF-OLZOCXBDSA-N 2 2 226.364 1.509 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000167403050 355991001 /nfs/dbraw/zinc/99/10/01/355991001.db2.gz WNPKRGOVUNDIGR-VXGBXAGGSA-N 2 2 226.364 1.650 20 30 BDEDLP C[C@H](CCC#N)[NH+]1CCC([NH+](C)C)CC1 ZINC000351614292 356028105 /nfs/dbraw/zinc/02/81/05/356028105.db2.gz FTURHFKEXNVWQV-LLVKDONJSA-N 2 2 209.337 1.705 20 30 BDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000333467403 134110307 /nfs/dbraw/zinc/11/03/07/134110307.db2.gz HRGNIEVQEQOGNJ-XQHKEYJVSA-N 2 2 237.347 1.035 20 30 BDEDLP C=C[C@H](CO)[NH2+]Cc1c(C)cc(C)[nH+]c1C ZINC000639866211 356978518 /nfs/dbraw/zinc/97/85/18/356978518.db2.gz ZNAPJLOWIFACHX-GFCCVEGCSA-N 2 2 220.316 1.643 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1F ZINC000583094169 357479353 /nfs/dbraw/zinc/47/93/53/357479353.db2.gz RTIVBKNRDVZWNN-UHFFFAOYSA-N 2 2 247.317 1.883 20 30 BDEDLP C[NH+](C)C1(C[NH2+]C[C@@H](C#N)CCC#N)CCC1 ZINC000578741910 366634645 /nfs/dbraw/zinc/63/46/45/366634645.db2.gz LRKYVUDHQFGYBW-GFCCVEGCSA-N 2 2 234.347 1.504 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306480750 360150148 /nfs/dbraw/zinc/15/01/48/360150148.db2.gz NJTFPJYTCDIAIF-JTQLQIEISA-N 2 2 200.713 1.424 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306480750 360150153 /nfs/dbraw/zinc/15/01/53/360150153.db2.gz NJTFPJYTCDIAIF-JTQLQIEISA-N 2 2 200.713 1.424 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629509771 361104859 /nfs/dbraw/zinc/10/48/59/361104859.db2.gz KIBRVKHHNDEUKD-QWHCGFSZSA-N 2 2 240.391 1.945 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nccn2C)CC1 ZINC000182869850 366953130 /nfs/dbraw/zinc/95/31/30/366953130.db2.gz YIHMZQSSUAUUOV-GFCCVEGCSA-N 2 2 248.374 1.721 20 30 BDEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000381173495 367358964 /nfs/dbraw/zinc/35/89/64/367358964.db2.gz UQAUKLIICKTMOD-LLVKDONJSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000581721580 367784855 /nfs/dbraw/zinc/78/48/55/367784855.db2.gz DJJJSTQQBUAXME-UONOGXRCSA-N 2 2 248.374 1.894 20 30 BDEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000581721580 367784859 /nfs/dbraw/zinc/78/48/59/367784859.db2.gz DJJJSTQQBUAXME-UONOGXRCSA-N 2 2 248.374 1.894 20 30 BDEDLP C=CCCOCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386077835 367909625 /nfs/dbraw/zinc/90/96/25/367909625.db2.gz GKAFDJFMUMQVNM-OLZOCXBDSA-N 2 2 226.364 1.699 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000600769454 369562359 /nfs/dbraw/zinc/56/23/59/369562359.db2.gz NHURBANLJNRXHU-ZWNOBZJWSA-N 2 2 231.299 1.335 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000600769454 369562362 /nfs/dbraw/zinc/56/23/62/369562362.db2.gz NHURBANLJNRXHU-ZWNOBZJWSA-N 2 2 231.299 1.335 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000600768125 369562696 /nfs/dbraw/zinc/56/26/96/369562696.db2.gz CMXMVROBQUYYSR-UWVGGRQHSA-N 2 2 219.288 1.463 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)o1 ZINC000600768125 369562697 /nfs/dbraw/zinc/56/26/97/369562697.db2.gz CMXMVROBQUYYSR-UWVGGRQHSA-N 2 2 219.288 1.463 20 30 BDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000600770383 369565684 /nfs/dbraw/zinc/56/56/84/369565684.db2.gz XWSUONVMQFQWOU-SNVBAGLBSA-N 2 2 219.288 1.240 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000601972498 369730897 /nfs/dbraw/zinc/73/08/97/369730897.db2.gz LYGBLBRHCKYBLS-CABCVRRESA-N 2 2 241.338 1.790 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)n1 ZINC000602512906 369802469 /nfs/dbraw/zinc/80/24/69/369802469.db2.gz XUXLIMKZXHSLRC-LLVKDONJSA-N 2 2 241.298 1.328 20 30 BDEDLP N#Cc1cccc(C[NH2+]CCC[NH+]2CCCC2)n1 ZINC000602592661 369823177 /nfs/dbraw/zinc/82/31/77/369823177.db2.gz JQIFKIUNIBMFSA-UHFFFAOYSA-N 2 2 244.342 1.529 20 30 BDEDLP C=CCC[C@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228074 371417689 /nfs/dbraw/zinc/41/76/89/371417689.db2.gz HVOOBPWQUBVFJC-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](CC)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228074 371417693 /nfs/dbraw/zinc/41/76/93/371417693.db2.gz HVOOBPWQUBVFJC-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424201454 206035588 /nfs/dbraw/zinc/03/55/88/206035588.db2.gz RYWPWTXYKISIQO-YFKTTZPYSA-N 2 2 207.321 1.218 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424201454 206035590 /nfs/dbraw/zinc/03/55/90/206035590.db2.gz RYWPWTXYKISIQO-YFKTTZPYSA-N 2 2 207.321 1.218 20 30 BDEDLP C#CCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000370603837 533045923 /nfs/dbraw/zinc/04/59/23/533045923.db2.gz MJQJBDMIFVKPRM-ZDUSSCGKSA-N 2 2 236.359 1.195 20 30 BDEDLP C#CCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000370603837 533045927 /nfs/dbraw/zinc/04/59/27/533045927.db2.gz MJQJBDMIFVKPRM-ZDUSSCGKSA-N 2 2 236.359 1.195 20 30 BDEDLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309489051 384379561 /nfs/dbraw/zinc/37/95/61/384379561.db2.gz WLLOIJMDBAWMPS-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309489051 384379565 /nfs/dbraw/zinc/37/95/65/384379565.db2.gz WLLOIJMDBAWMPS-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C[NH+]1CCCC1 ZINC000564844051 384969961 /nfs/dbraw/zinc/96/99/61/384969961.db2.gz HYHCMJMBLMQRGW-KBPBESRZSA-N 2 2 248.374 1.751 20 30 BDEDLP N#CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000336172915 385492330 /nfs/dbraw/zinc/49/23/30/385492330.db2.gz ARDCBUWDCMJPHT-GXTWGEPZSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000336172915 385492333 /nfs/dbraw/zinc/49/23/33/385492333.db2.gz ARDCBUWDCMJPHT-GXTWGEPZSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000336172915 385492340 /nfs/dbraw/zinc/49/23/40/385492340.db2.gz ARDCBUWDCMJPHT-GXTWGEPZSA-N 2 2 233.359 1.849 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185807246 385740234 /nfs/dbraw/zinc/74/02/34/385740234.db2.gz BSHNZATWNJYOGR-QWHCGFSZSA-N 2 2 223.364 1.999 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185807246 385740238 /nfs/dbraw/zinc/74/02/38/385740238.db2.gz BSHNZATWNJYOGR-QWHCGFSZSA-N 2 2 223.364 1.999 20 30 BDEDLP Cc1cc(NCC[C@@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000398972347 386280213 /nfs/dbraw/zinc/28/02/13/386280213.db2.gz BAGLZUXAUMKSJF-LBPRGKRZSA-N 2 2 244.342 1.485 20 30 BDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCCC#N)CC1 ZINC000572375579 387354352 /nfs/dbraw/zinc/35/43/52/387354352.db2.gz PLBMHJHPSCFRMJ-UHFFFAOYSA-N 2 2 239.363 1.115 20 30 BDEDLP C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCC[NH2+]1 ZINC000423106532 387891793 /nfs/dbraw/zinc/89/17/93/387891793.db2.gz ZYEICJNMVNZUKZ-WDEREUQCSA-N 2 2 207.321 1.410 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000328119112 387879144 /nfs/dbraw/zinc/87/91/44/387879144.db2.gz QIQSWZANAKJKFY-LBPRGKRZSA-N 2 2 220.316 1.885 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000328119112 387879148 /nfs/dbraw/zinc/87/91/48/387879148.db2.gz QIQSWZANAKJKFY-LBPRGKRZSA-N 2 2 220.316 1.885 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424194954 387918194 /nfs/dbraw/zinc/91/81/94/387918194.db2.gz MGNJJSSWYZSNQR-YVECIDJPSA-N 2 2 221.348 1.608 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424194954 387918197 /nfs/dbraw/zinc/91/81/97/387918197.db2.gz MGNJJSSWYZSNQR-YVECIDJPSA-N 2 2 221.348 1.608 20 30 BDEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000424202842 387929065 /nfs/dbraw/zinc/92/90/65/387929065.db2.gz TVVFHYKZIVJVTC-RVMXOQNASA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000424202842 387929068 /nfs/dbraw/zinc/92/90/68/387929068.db2.gz TVVFHYKZIVJVTC-RVMXOQNASA-N 2 2 233.359 1.893 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156503838 387987271 /nfs/dbraw/zinc/98/72/71/387987271.db2.gz OVONMQCTDZLNAU-CQSZACIVSA-N 2 2 230.311 1.948 20 30 BDEDLP CC#CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156503838 387987278 /nfs/dbraw/zinc/98/72/78/387987278.db2.gz OVONMQCTDZLNAU-CQSZACIVSA-N 2 2 230.311 1.948 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453350215 388055682 /nfs/dbraw/zinc/05/56/82/388055682.db2.gz JWULFHTWZHYUIO-BZPMIXESSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000453350215 388055685 /nfs/dbraw/zinc/05/56/85/388055685.db2.gz JWULFHTWZHYUIO-BZPMIXESSA-N 2 2 238.375 1.386 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000453354350 388056230 /nfs/dbraw/zinc/05/62/30/388056230.db2.gz NIOSVECABQVJDB-SYQHCUMBSA-N 2 2 238.375 1.650 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000453354350 388056233 /nfs/dbraw/zinc/05/62/33/388056233.db2.gz NIOSVECABQVJDB-SYQHCUMBSA-N 2 2 238.375 1.650 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000453357535 388057800 /nfs/dbraw/zinc/05/78/00/388057800.db2.gz ONUGNLKPTVCCSX-RNJOBUHISA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000453357535 388057804 /nfs/dbraw/zinc/05/78/04/388057804.db2.gz ONUGNLKPTVCCSX-RNJOBUHISA-N 2 2 224.348 1.260 20 30 BDEDLP C#CC[N@H+](CC#CC)CCn1cc[nH+]c1C ZINC000490875388 388257009 /nfs/dbraw/zinc/25/70/09/388257009.db2.gz PWMNBXJKHVOYHM-UHFFFAOYSA-N 2 2 215.300 1.150 20 30 BDEDLP C#CC[N@@H+](CC#CC)CCn1cc[nH+]c1C ZINC000490875388 388257012 /nfs/dbraw/zinc/25/70/12/388257012.db2.gz PWMNBXJKHVOYHM-UHFFFAOYSA-N 2 2 215.300 1.150 20 30 BDEDLP C#CC[N@@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000491537918 388302390 /nfs/dbraw/zinc/30/23/90/388302390.db2.gz UXVWGODQNIHEDW-UHFFFAOYSA-N 2 2 231.343 1.840 20 30 BDEDLP C#CC[N@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000491537918 388302393 /nfs/dbraw/zinc/30/23/93/388302393.db2.gz UXVWGODQNIHEDW-UHFFFAOYSA-N 2 2 231.343 1.840 20 30 BDEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000573267188 388437029 /nfs/dbraw/zinc/43/70/29/388437029.db2.gz AEXIIIMXLNHDQR-GXTWGEPZSA-N 2 2 249.358 1.799 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311108048 388673459 /nfs/dbraw/zinc/67/34/59/388673459.db2.gz REXBLNXVVOBQLY-LSDHHAIUSA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311108048 388673464 /nfs/dbraw/zinc/67/34/64/388673464.db2.gz REXBLNXVVOBQLY-LSDHHAIUSA-N 2 2 241.338 1.742 20 30 BDEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000564202427 388681735 /nfs/dbraw/zinc/68/17/35/388681735.db2.gz IZOPXHAOAFCDRM-KBPBESRZSA-N 2 2 248.374 1.751 20 30 BDEDLP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000564202427 388681738 /nfs/dbraw/zinc/68/17/38/388681738.db2.gz IZOPXHAOAFCDRM-KBPBESRZSA-N 2 2 248.374 1.751 20 30 BDEDLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(C#N)cc1 ZINC000423242831 388689238 /nfs/dbraw/zinc/68/92/38/388689238.db2.gz JJMHVDFLUKTVKH-ZDUSSCGKSA-N 2 2 217.316 1.818 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248746689 388692135 /nfs/dbraw/zinc/69/21/35/388692135.db2.gz BDLLVJFRCBJIMW-RWMBFGLXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248746689 388692136 /nfs/dbraw/zinc/69/21/36/388692136.db2.gz BDLLVJFRCBJIMW-RWMBFGLXSA-N 2 2 221.348 1.753 20 30 BDEDLP C=C(C)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352027791 533485916 /nfs/dbraw/zinc/48/59/16/533485916.db2.gz PCQJIXYPAHTXBR-UHFFFAOYSA-N 2 2 226.364 1.341 20 30 BDEDLP C=C(C)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352027791 533485924 /nfs/dbraw/zinc/48/59/24/533485924.db2.gz PCQJIXYPAHTXBR-UHFFFAOYSA-N 2 2 226.364 1.341 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000185709830 134391995 /nfs/dbraw/zinc/39/19/95/134391995.db2.gz NICMPVAEQUIKTI-OLZOCXBDSA-N 2 2 232.331 1.945 20 30 BDEDLP C[C@H]1C[NH+]=C(NC[C@H](c2ccccc2)[NH+](C)C)N1 ZINC000262672487 135120869 /nfs/dbraw/zinc/12/08/69/135120869.db2.gz RUEFIILSSFYBNQ-WCQYABFASA-N 2 2 246.358 1.227 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000253201321 135124757 /nfs/dbraw/zinc/12/47/57/135124757.db2.gz XWGSUGGUISYYJE-RYUDHWBXSA-N 2 2 245.326 1.868 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000253201321 135124758 /nfs/dbraw/zinc/12/47/58/135124758.db2.gz XWGSUGGUISYYJE-RYUDHWBXSA-N 2 2 245.326 1.868 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cncs1 ZINC000295021899 135378633 /nfs/dbraw/zinc/37/86/33/135378633.db2.gz NUPZRLHASYLCGK-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cncs1 ZINC000295021899 135378635 /nfs/dbraw/zinc/37/86/35/135378635.db2.gz NUPZRLHASYLCGK-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000297208066 135380207 /nfs/dbraw/zinc/38/02/07/135380207.db2.gz GMVOXBNFORKPHS-LLVKDONJSA-N 2 2 220.320 1.015 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000297208066 135380210 /nfs/dbraw/zinc/38/02/10/135380210.db2.gz GMVOXBNFORKPHS-LLVKDONJSA-N 2 2 220.320 1.015 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000491308636 398039251 /nfs/dbraw/zinc/03/92/51/398039251.db2.gz VNJPDCKXMHDWPP-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000491308636 398039254 /nfs/dbraw/zinc/03/92/54/398039254.db2.gz VNJPDCKXMHDWPP-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nn1 ZINC000655939152 411161410 /nfs/dbraw/zinc/16/14/10/411161410.db2.gz KOEHEZZPMHZGTM-ZDUSSCGKSA-N 2 2 249.362 1.025 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nn1 ZINC000655939152 411161412 /nfs/dbraw/zinc/16/14/12/411161412.db2.gz KOEHEZZPMHZGTM-ZDUSSCGKSA-N 2 2 249.362 1.025 20 30 BDEDLP C=CC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655729660 411375091 /nfs/dbraw/zinc/37/50/91/411375091.db2.gz ICKCITYIVDJWJV-JSGCOSHPSA-N 2 2 238.375 1.794 20 30 BDEDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135151319 170015030 /nfs/dbraw/zinc/01/50/30/170015030.db2.gz ITADSLZKPZNDJW-LLVKDONJSA-N 2 2 233.315 1.583 20 30 BDEDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135151319 170015031 /nfs/dbraw/zinc/01/50/31/170015031.db2.gz ITADSLZKPZNDJW-LLVKDONJSA-N 2 2 233.315 1.583 20 30 BDEDLP C=CCOCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657658960 411572328 /nfs/dbraw/zinc/57/23/28/411572328.db2.gz LMFZAHYBOWYSRC-UHFFFAOYSA-N 2 2 235.331 1.512 20 30 BDEDLP C=CCOc1cccc(C[NH2+][C@@H](C)C[NH2+]C)c1 ZINC000663506750 411690554 /nfs/dbraw/zinc/69/05/54/411690554.db2.gz HZSGFDQNMFNCDJ-LBPRGKRZSA-N 2 2 234.343 1.949 20 30 BDEDLP C=CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662299491 412087284 /nfs/dbraw/zinc/08/72/84/412087284.db2.gz RJSFJPOMIVAIID-OLZOCXBDSA-N 2 2 224.348 1.263 20 30 BDEDLP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662299491 412087287 /nfs/dbraw/zinc/08/72/87/412087287.db2.gz RJSFJPOMIVAIID-OLZOCXBDSA-N 2 2 224.348 1.263 20 30 BDEDLP Cc1cc(NCC(C)(C)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000399418670 267299819 /nfs/dbraw/zinc/29/98/19/267299819.db2.gz DFICHZJIHRVJMJ-UHFFFAOYSA-N 2 2 246.358 1.683 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675496598 487741367 /nfs/dbraw/zinc/74/13/67/487741367.db2.gz USXRZUWARJARQZ-ZIAGYGMSSA-N 2 2 240.391 1.776 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCC2)c(F)c1 ZINC000566474910 323000095 /nfs/dbraw/zinc/00/00/95/323000095.db2.gz VHAKDJDJDDDZIU-UHFFFAOYSA-N 2 2 247.317 1.883 20 30 BDEDLP C[NH+](C)CC[C@H]([NH2+]CCC#N)C(C)(C)C ZINC000570391391 323058260 /nfs/dbraw/zinc/05/82/60/323058260.db2.gz ZXTLUADUKWHMDB-NSHDSACASA-N 2 2 211.353 1.856 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535758005 323190606 /nfs/dbraw/zinc/19/06/06/323190606.db2.gz OQKFYGUNJWALBI-OLZOCXBDSA-N 2 2 249.358 1.537 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535758005 323190607 /nfs/dbraw/zinc/19/06/07/323190607.db2.gz OQKFYGUNJWALBI-OLZOCXBDSA-N 2 2 249.358 1.537 20 30 BDEDLP C=CC[C@H](CC)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000393767251 323385287 /nfs/dbraw/zinc/38/52/87/323385287.db2.gz COCILJFWVNKBAL-RWMBFGLXSA-N 2 2 226.364 1.698 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569230388 326396154 /nfs/dbraw/zinc/39/61/54/326396154.db2.gz WITGBTMGKGDSCY-CHWSQXEVSA-N 2 2 246.358 1.504 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000569230388 326396155 /nfs/dbraw/zinc/39/61/55/326396155.db2.gz WITGBTMGKGDSCY-CHWSQXEVSA-N 2 2 246.358 1.504 20 30 BDEDLP CC[NH+]1CCC([N@H+](C)CC#CCOC)CC1 ZINC000677478744 488048361 /nfs/dbraw/zinc/04/83/61/488048361.db2.gz DDZBIESOEKGRRH-UHFFFAOYSA-N 2 2 224.348 1.052 20 30 BDEDLP CC[NH+]1CCC([N@@H+](C)CC#CCOC)CC1 ZINC000677478744 488048364 /nfs/dbraw/zinc/04/83/64/488048364.db2.gz DDZBIESOEKGRRH-UHFFFAOYSA-N 2 2 224.348 1.052 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675496598 487741363 /nfs/dbraw/zinc/74/13/63/487741363.db2.gz USXRZUWARJARQZ-ZIAGYGMSSA-N 2 2 240.391 1.776 20 30 BDEDLP COCC#CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000677817785 490663878 /nfs/dbraw/zinc/66/38/78/490663878.db2.gz BMFOZSUBZKRORI-UHFFFAOYSA-N 2 2 238.375 1.441 20 30 BDEDLP COCC#CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000677817785 490663880 /nfs/dbraw/zinc/66/38/80/490663880.db2.gz BMFOZSUBZKRORI-UHFFFAOYSA-N 2 2 238.375 1.441 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000341326747 534402613 /nfs/dbraw/zinc/40/26/13/534402613.db2.gz XVGFFEYJOUBDCR-AVGNSLFASA-N 2 2 238.375 1.386 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000341326747 534402618 /nfs/dbraw/zinc/40/26/18/534402618.db2.gz XVGFFEYJOUBDCR-AVGNSLFASA-N 2 2 238.375 1.386 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000121522131 534779917 /nfs/dbraw/zinc/77/99/17/534779917.db2.gz CKCVQYVHQKEHHC-OLZOCXBDSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000121522131 534779922 /nfs/dbraw/zinc/77/99/22/534779922.db2.gz CKCVQYVHQKEHHC-OLZOCXBDSA-N 2 2 238.375 1.794 20 30 BDEDLP C#C[C@@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000491630088 527309899 /nfs/dbraw/zinc/30/98/99/527309899.db2.gz NQBQOQWPGIJUKR-CQSZACIVSA-N 2 2 247.342 1.306 20 30 BDEDLP C#C[C@@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000491630088 527309903 /nfs/dbraw/zinc/30/99/03/527309903.db2.gz NQBQOQWPGIJUKR-CQSZACIVSA-N 2 2 247.342 1.306 20 30 BDEDLP CCCCNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264297456 535261610 /nfs/dbraw/zinc/26/16/10/535261610.db2.gz QUMBSAVWMTVDPJ-UHFFFAOYSA-N 2 2 249.362 1.424 20 30 BDEDLP CC[NH+]=C(NCC[NH+]1CCC1)NC(C)(C)C ZINC000261781654 535266344 /nfs/dbraw/zinc/26/63/44/535266344.db2.gz UAGIEZUHWAPRFW-UHFFFAOYSA-N 2 2 226.368 1.046 20 30 BDEDLP CC[N@H+]1C[C@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000336779283 535784086 /nfs/dbraw/zinc/78/40/86/535784086.db2.gz NUMZJWLRXSAWHW-RYUDHWBXSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@@H+]1C[C@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000336779283 535784088 /nfs/dbraw/zinc/78/40/88/535784088.db2.gz NUMZJWLRXSAWHW-RYUDHWBXSA-N 2 2 221.348 1.610 20 30 BDEDLP Cc1[nH+]cnc(NCC#CC[NH+](C)C)c1C ZINC000894877178 583541853 /nfs/dbraw/zinc/54/18/53/583541853.db2.gz XTZVQGAQWLSAIL-UHFFFAOYSA-N 2 2 218.304 1.070 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000895037628 583570389 /nfs/dbraw/zinc/57/03/89/583570389.db2.gz AQXGOTGUKGORRU-UHFFFAOYSA-N 2 2 245.326 1.083 20 30 BDEDLP N#Cc1csc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000902445997 584599039 /nfs/dbraw/zinc/59/90/39/584599039.db2.gz NOGAKMJYFXBUID-WPRPVWTQSA-N 2 2 236.344 1.232 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000903090661 584725795 /nfs/dbraw/zinc/72/57/95/584725795.db2.gz FRMVJLJTAPYTAA-UONOGXRCSA-N 2 2 238.375 1.794 20 30 BDEDLP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000903422391 584764340 /nfs/dbraw/zinc/76/43/40/584764340.db2.gz BFQZOXBOAHJWFT-SNVBAGLBSA-N 2 2 249.745 1.992 20 30 BDEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000903422391 584764342 /nfs/dbraw/zinc/76/43/42/584764342.db2.gz BFQZOXBOAHJWFT-SNVBAGLBSA-N 2 2 249.745 1.992 20 30 BDEDLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903474895 584776809 /nfs/dbraw/zinc/77/68/09/584776809.db2.gz SSAOOCBQQBGNFK-SECBINFHSA-N 2 2 237.734 1.991 20 30 BDEDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903474895 584776811 /nfs/dbraw/zinc/77/68/11/584776811.db2.gz SSAOOCBQQBGNFK-SECBINFHSA-N 2 2 237.734 1.991 20 30 BDEDLP c1nncn1[NH+]=C1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000748779189 585195900 /nfs/dbraw/zinc/19/59/00/585195900.db2.gz XVNPMYURDPLTQA-ZDUSSCGKSA-N 2 2 247.346 1.911 20 30 BDEDLP CC(C[NH+]1CCCCCC1)=[NH+]n1cnnc1 ZINC000777422809 585711755 /nfs/dbraw/zinc/71/17/55/585711755.db2.gz XYSJXUUBYHFQRM-UHFFFAOYSA-N 2 2 221.308 1.378 20 30 BDEDLP COCCCO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000795042783 586066720 /nfs/dbraw/zinc/06/67/20/586066720.db2.gz YQWMKMWLCZRGRT-UHFFFAOYSA-N 2 2 237.303 1.535 20 30 BDEDLP CC(C)[NH2+]C1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801932794 586278528 /nfs/dbraw/zinc/27/85/28/586278528.db2.gz YBFBKISATJIWKG-LBPRGKRZSA-N 2 2 239.363 1.377 20 30 BDEDLP C=C(Cl)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817903369 586835697 /nfs/dbraw/zinc/83/56/97/586835697.db2.gz AAWINCKTOVKSBL-GHMZBOCLSA-N 2 2 230.739 1.096 20 30 BDEDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817953635 586848870 /nfs/dbraw/zinc/84/88/70/586848870.db2.gz RDKGVARHXHAJOI-NSHDSACASA-N 2 2 233.315 1.459 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000825227510 587310550 /nfs/dbraw/zinc/31/05/50/587310550.db2.gz UGYOXFFUONLRGO-DOMZBBRYSA-N 2 2 228.339 1.708 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000825227510 587310552 /nfs/dbraw/zinc/31/05/52/587310552.db2.gz UGYOXFFUONLRGO-DOMZBBRYSA-N 2 2 228.339 1.708 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000825227518 587310577 /nfs/dbraw/zinc/31/05/77/587310577.db2.gz UGYOXFFUONLRGO-WFASDCNBSA-N 2 2 228.339 1.708 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000825227518 587310578 /nfs/dbraw/zinc/31/05/78/587310578.db2.gz UGYOXFFUONLRGO-WFASDCNBSA-N 2 2 228.339 1.708 20 30 BDEDLP C#C[C@@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCCO1 ZINC000828307180 587433602 /nfs/dbraw/zinc/43/36/02/587433602.db2.gz LRPDMJPCJIQISM-CABCVRRESA-N 2 2 244.338 1.703 20 30 BDEDLP C#CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000829810096 587518280 /nfs/dbraw/zinc/51/82/80/587518280.db2.gz LSKSGPQPQKWTME-CQSZACIVSA-N 2 2 231.343 1.927 20 30 BDEDLP C#CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000829810096 587518282 /nfs/dbraw/zinc/51/82/82/587518282.db2.gz LSKSGPQPQKWTME-CQSZACIVSA-N 2 2 231.343 1.927 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000831678938 587627632 /nfs/dbraw/zinc/62/76/32/587627632.db2.gz MMBKAOBMJWRVMV-NEPJUHHUSA-N 2 2 210.321 1.015 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000840975415 587933339 /nfs/dbraw/zinc/93/33/39/587933339.db2.gz XZRYMWLKKXHUIV-HNNXBMFYSA-N 2 2 228.339 1.852 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000840975415 587933340 /nfs/dbraw/zinc/93/33/40/587933340.db2.gz XZRYMWLKKXHUIV-HNNXBMFYSA-N 2 2 228.339 1.852 20 30 BDEDLP CCn1c[nH+]cc1C=NNCC[NH+]1CCCCC1 ZINC000841618336 587960316 /nfs/dbraw/zinc/96/03/16/587960316.db2.gz CFTFEJGLMSZCPL-UHFFFAOYSA-N 2 2 249.362 1.312 20 30 BDEDLP C#Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000848557778 588397065 /nfs/dbraw/zinc/39/70/65/588397065.db2.gz LKRSUENXLYLMLJ-UHFFFAOYSA-N 2 2 228.339 1.850 20 30 BDEDLP C=C(C)CNC(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000848995293 588428587 /nfs/dbraw/zinc/42/85/87/588428587.db2.gz CFFXBQOEEIGRIZ-UHFFFAOYSA-N 2 2 235.335 1.353 20 30 BDEDLP C#CCOCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000851858363 588635739 /nfs/dbraw/zinc/63/57/39/588635739.db2.gz MHYWCGUWIQQTKB-UONOGXRCSA-N 2 2 247.342 1.416 20 30 BDEDLP C#CCOCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000851858363 588635740 /nfs/dbraw/zinc/63/57/40/588635740.db2.gz MHYWCGUWIQQTKB-UONOGXRCSA-N 2 2 247.342 1.416 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000851990876 588652930 /nfs/dbraw/zinc/65/29/30/588652930.db2.gz YJPPXYYUBGNVSO-ZDUSSCGKSA-N 2 2 247.342 1.249 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000851990876 588652931 /nfs/dbraw/zinc/65/29/31/588652931.db2.gz YJPPXYYUBGNVSO-ZDUSSCGKSA-N 2 2 247.342 1.249 20 30 BDEDLP CCC(=[NH+]NC1=[NH+]C[C@@H](C)N1)c1ccc(N)cc1 ZINC000863105235 589256379 /nfs/dbraw/zinc/25/63/79/589256379.db2.gz KYISPMNDKYCESV-SECBINFHSA-N 2 2 245.330 1.320 20 30 BDEDLP C#CCSCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120031044 589357770 /nfs/dbraw/zinc/35/77/70/589357770.db2.gz YPYMPYKYPNNGIG-RYUDHWBXSA-N 2 2 238.400 1.568 20 30 BDEDLP C#CCSCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120031044 589357772 /nfs/dbraw/zinc/35/77/72/589357772.db2.gz YPYMPYKYPNNGIG-RYUDHWBXSA-N 2 2 238.400 1.568 20 30 BDEDLP C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000871788432 589818436 /nfs/dbraw/zinc/81/84/36/589818436.db2.gz KYGWHECQJWBSOJ-YUMQZZPRSA-N 2 2 242.710 1.637 20 30 BDEDLP CCOCCO[NH+]=Cc1c(C)cc[nH+]c1N ZINC000872367054 589921691 /nfs/dbraw/zinc/92/16/91/589921691.db2.gz ONJONOJDDHHBBZ-UHFFFAOYSA-N 2 2 223.276 1.359 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873231349 590003433 /nfs/dbraw/zinc/00/34/33/590003433.db2.gz MEQLIMJAGYJCFB-GJZGRUSLSA-N 2 2 241.338 1.932 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873231353 590003580 /nfs/dbraw/zinc/00/35/80/590003580.db2.gz MEQLIMJAGYJCFB-LSDHHAIUSA-N 2 2 241.338 1.932 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000883390271 591641100 /nfs/dbraw/zinc/64/11/00/591641100.db2.gz IRKPUBUKIIWYAA-YRGRVCCFSA-N 2 2 238.375 1.386 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000883390271 591641102 /nfs/dbraw/zinc/64/11/02/591641102.db2.gz IRKPUBUKIIWYAA-YRGRVCCFSA-N 2 2 238.375 1.386 20 30 BDEDLP C[NH+](CC#N)[C@H]1CC[C@H]([N@H+](C)CC#N)CC1 ZINC000886394232 592222884 /nfs/dbraw/zinc/22/28/84/592222884.db2.gz WCMBIMMDJMSPFO-HAQNSBGRSA-N 2 2 220.320 1.208 20 30 BDEDLP C[NH+](CC#N)[C@H]1CC[C@H]([N@@H+](C)CC#N)CC1 ZINC000886394232 592222886 /nfs/dbraw/zinc/22/28/86/592222886.db2.gz WCMBIMMDJMSPFO-HAQNSBGRSA-N 2 2 220.320 1.208 20 30 BDEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335642583 631261700 /nfs/dbraw/zinc/26/17/00/631261700.db2.gz FVHAGKJZEQYYJM-SMDDNHRTSA-N 2 2 229.327 1.788 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309142904 631907725 /nfs/dbraw/zinc/90/77/25/631907725.db2.gz UESXJVHLAHEUDM-WCQYABFASA-N 2 2 206.333 1.472 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309142904 631907728 /nfs/dbraw/zinc/90/77/28/631907728.db2.gz UESXJVHLAHEUDM-WCQYABFASA-N 2 2 206.333 1.472 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309142902 631908601 /nfs/dbraw/zinc/90/86/01/631908601.db2.gz UESXJVHLAHEUDM-DGCLKSJQSA-N 2 2 206.333 1.472 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309142902 631908608 /nfs/dbraw/zinc/90/86/08/631908608.db2.gz UESXJVHLAHEUDM-DGCLKSJQSA-N 2 2 206.333 1.472 20 30 BDEDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235212817 632538916 /nfs/dbraw/zinc/53/89/16/632538916.db2.gz CXKGNNBBRVMBRQ-BXUZGUMPSA-N 2 2 229.327 1.961 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000328059777 633228509 /nfs/dbraw/zinc/22/85/09/633228509.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 3 2 249.402 1.156 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000328059777 633228513 /nfs/dbraw/zinc/22/85/13/633228513.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 3 2 249.402 1.156 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000328059777 633228523 /nfs/dbraw/zinc/22/85/23/633228523.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 3 2 249.402 1.156 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000328059777 633228530 /nfs/dbraw/zinc/22/85/30/633228530.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 3 2 249.402 1.156 20 30 BDEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309784510 633735506 /nfs/dbraw/zinc/73/55/06/633735506.db2.gz NQPOSGFZKVNJPL-FRRDWIJNSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309784510 633735511 /nfs/dbraw/zinc/73/55/11/633735511.db2.gz NQPOSGFZKVNJPL-FRRDWIJNSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CC[NH+](CC=C)C[C@H](O)C[NH+]1CCCC1 ZINC000906609959 638224920 /nfs/dbraw/zinc/22/49/20/638224920.db2.gz VCHBNVJVRRHDFL-ZDUSSCGKSA-N 2 2 224.348 1.117 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069627069 642886648 /nfs/dbraw/zinc/88/66/48/642886648.db2.gz SNMFZNAQZONFGG-UWVGGRQHSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069627069 642886650 /nfs/dbraw/zinc/88/66/50/642886650.db2.gz SNMFZNAQZONFGG-UWVGGRQHSA-N 2 2 202.729 1.798 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000923286275 644321008 /nfs/dbraw/zinc/32/10/08/644321008.db2.gz MHZKFBQAZPSHDB-CHWSQXEVSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000923286275 644321013 /nfs/dbraw/zinc/32/10/13/644321013.db2.gz MHZKFBQAZPSHDB-CHWSQXEVSA-N 2 2 226.364 1.387 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925620346 646366699 /nfs/dbraw/zinc/36/66/99/646366699.db2.gz UQGVPHDDEMRZPY-LLVKDONJSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925633541 646378457 /nfs/dbraw/zinc/37/84/57/646378457.db2.gz FDCOFSYWAMHQJG-NWDGAFQWSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925702275 646425811 /nfs/dbraw/zinc/42/58/11/646425811.db2.gz MPNSCRMFRIAJFR-LBPRGKRZSA-N 2 2 212.337 1.311 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnsc1 ZINC000712916235 963003576 /nfs/dbraw/zinc/00/35/76/963003576.db2.gz PCJQTZOBOVHRRI-UHFFFAOYSA-N 2 2 223.345 1.188 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnsc1 ZINC000712916235 963003587 /nfs/dbraw/zinc/00/35/87/963003587.db2.gz PCJQTZOBOVHRRI-UHFFFAOYSA-N 2 2 223.345 1.188 20 30 BDEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001336763768 977929384 /nfs/dbraw/zinc/92/93/84/977929384.db2.gz RSTPMRFANYYFGE-KGLIPLIRSA-N 2 2 248.374 1.750 20 30 BDEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001336763768 977929396 /nfs/dbraw/zinc/92/93/96/977929396.db2.gz RSTPMRFANYYFGE-KGLIPLIRSA-N 2 2 248.374 1.750 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001171189851 972831248 /nfs/dbraw/zinc/83/12/48/972831248.db2.gz NKQZHXFNWTYRTL-ZWKOPEQDSA-N 2 2 215.300 1.178 20 30 BDEDLP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001204801994 963701613 /nfs/dbraw/zinc/70/16/13/963701613.db2.gz ZAJNOWGCPKFVGN-AWEZNQCLSA-N 2 2 229.327 1.676 20 30 BDEDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2CC#N)C1 ZINC001204801994 963701617 /nfs/dbraw/zinc/70/16/17/963701617.db2.gz ZAJNOWGCPKFVGN-AWEZNQCLSA-N 2 2 229.327 1.676 20 30 BDEDLP C[Si](C)(C)C#C[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001162580664 965051774 /nfs/dbraw/zinc/05/17/74/965051774.db2.gz UOOMCUBLZSJZQC-LBPRGKRZSA-N 2 2 242.414 1.896 20 30 BDEDLP C[Si](C)(C)C#C[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001162580659 965054751 /nfs/dbraw/zinc/05/47/51/965054751.db2.gz UOOMCUBLZSJZQC-GFCCVEGCSA-N 2 2 242.414 1.896 20 30 BDEDLP C#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990166 966208408 /nfs/dbraw/zinc/20/84/08/966208408.db2.gz LMDJUDSCJXKNHB-HUUCEWRRSA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990166 966208425 /nfs/dbraw/zinc/20/84/25/966208425.db2.gz LMDJUDSCJXKNHB-HUUCEWRRSA-N 2 2 226.323 1.591 20 30 BDEDLP C[C@]1([NH3+])CCC[N@H+](Cc2[nH]ccc2C#N)CC1 ZINC001205287769 967484303 /nfs/dbraw/zinc/48/43/03/967484303.db2.gz BTMRUJPFEVSLHS-ZDUSSCGKSA-N 2 2 232.331 1.590 20 30 BDEDLP C[C@]1([NH3+])CCC[N@@H+](Cc2[nH]ccc2C#N)CC1 ZINC001205287769 967484325 /nfs/dbraw/zinc/48/43/25/967484325.db2.gz BTMRUJPFEVSLHS-ZDUSSCGKSA-N 2 2 232.331 1.590 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)C[C@H]1[NH3+] ZINC001206070294 968038304 /nfs/dbraw/zinc/03/83/04/968038304.db2.gz FZKBXFJFMGNIDL-BXKDBHETSA-N 2 2 231.299 1.043 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)C[C@H]1[NH3+] ZINC001206070294 968038310 /nfs/dbraw/zinc/03/83/10/968038310.db2.gz FZKBXFJFMGNIDL-BXKDBHETSA-N 2 2 231.299 1.043 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206176361 968108059 /nfs/dbraw/zinc/10/80/59/968108059.db2.gz ZISAYCPRLKNXIS-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206176361 968108070 /nfs/dbraw/zinc/10/80/70/968108070.db2.gz ZISAYCPRLKNXIS-STQMWFEESA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccn1 ZINC001206195965 968126035 /nfs/dbraw/zinc/12/60/35/968126035.db2.gz AHQQOVWEMVIKKH-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccn1 ZINC001206195965 968126044 /nfs/dbraw/zinc/12/60/44/968126044.db2.gz AHQQOVWEMVIKKH-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]CCc1[nH]cc(C)[nH+]1 ZINC001252614267 968872904 /nfs/dbraw/zinc/87/29/04/968872904.db2.gz HGVIROXJXIQITI-LLVKDONJSA-N 2 2 223.320 1.177 20 30 BDEDLP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2C#N)CC1 ZINC001208593172 969151343 /nfs/dbraw/zinc/15/13/43/969151343.db2.gz DWRHLDGHSXHWKN-ZDUSSCGKSA-N 2 2 221.348 1.706 20 30 BDEDLP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2C#N)CC1 ZINC001208593172 969151347 /nfs/dbraw/zinc/15/13/47/969151347.db2.gz DWRHLDGHSXHWKN-ZDUSSCGKSA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC001254673971 969781612 /nfs/dbraw/zinc/78/16/12/969781612.db2.gz RXNUAIPJBDSDBG-REWJHTLYSA-N 2 2 233.359 1.705 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC001254673971 969781616 /nfs/dbraw/zinc/78/16/16/969781616.db2.gz RXNUAIPJBDSDBG-REWJHTLYSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC001254673971 969781620 /nfs/dbraw/zinc/78/16/20/969781620.db2.gz RXNUAIPJBDSDBG-REWJHTLYSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC001254673971 969781623 /nfs/dbraw/zinc/78/16/23/969781623.db2.gz RXNUAIPJBDSDBG-REWJHTLYSA-N 2 2 233.359 1.705 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001254679253 969784709 /nfs/dbraw/zinc/78/47/09/969784709.db2.gz KFUGWCCKXIZXRF-JSGCOSHPSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001327993001 972843289 /nfs/dbraw/zinc/84/32/89/972843289.db2.gz SZXSRMYHHACRLQ-MNOVXSKESA-N 2 2 243.314 1.300 20 30 BDEDLP C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246665191 973075538 /nfs/dbraw/zinc/07/55/38/973075538.db2.gz ZSYFBFKWXUUHQP-SDDRHHMPSA-N 2 2 207.321 1.492 20 30 BDEDLP C[C@@H](CCCC#N)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246665191 973075554 /nfs/dbraw/zinc/07/55/54/973075554.db2.gz ZSYFBFKWXUUHQP-SDDRHHMPSA-N 2 2 207.321 1.492 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172295172 974566164 /nfs/dbraw/zinc/56/61/64/974566164.db2.gz PTMYRXOOUBMNTI-SMDDNHRTSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172295172 974566175 /nfs/dbraw/zinc/56/61/75/974566175.db2.gz PTMYRXOOUBMNTI-SMDDNHRTSA-N 2 2 229.327 1.522 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206164071 974630030 /nfs/dbraw/zinc/63/00/30/974630030.db2.gz JEFRABJKJLAAIM-UONOGXRCSA-N 2 2 247.317 1.819 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206164071 974630034 /nfs/dbraw/zinc/63/00/34/974630034.db2.gz JEFRABJKJLAAIM-UONOGXRCSA-N 2 2 247.317 1.819 20 30 BDEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584727 975420862 /nfs/dbraw/zinc/42/08/62/975420862.db2.gz IYQILPIKWPURRV-PNESKVBLSA-N 2 2 223.364 1.999 20 30 BDEDLP N#CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235988326 979267154 /nfs/dbraw/zinc/26/71/54/979267154.db2.gz GUVSWMOZAJUZMC-GJZGRUSLSA-N 2 2 241.338 1.676 20 30 BDEDLP N#CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235988326 979267164 /nfs/dbraw/zinc/26/71/64/979267164.db2.gz GUVSWMOZAJUZMC-GJZGRUSLSA-N 2 2 241.338 1.676 20 30 BDEDLP C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001205863466 982915581 /nfs/dbraw/zinc/91/55/81/982915581.db2.gz VRCYAMSHXDCUSU-DOMZBBRYSA-N 2 2 243.354 1.770 20 30 BDEDLP C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001205863466 982915587 /nfs/dbraw/zinc/91/55/87/982915587.db2.gz VRCYAMSHXDCUSU-DOMZBBRYSA-N 2 2 243.354 1.770 20 30 BDEDLP C=CCC[C@H](CCC)[NH2+]CC1(O)C[NH2+]C1 ZINC001574901768 984121660 /nfs/dbraw/zinc/12/16/60/984121660.db2.gz QQMVIUQLXAPQGO-NSHDSACASA-N 2 2 212.337 1.045 20 30 BDEDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001576503460 984170739 /nfs/dbraw/zinc/17/07/39/984170739.db2.gz SXUXLTPVRUVOBT-CYBMUJFWSA-N 2 2 230.315 1.124 20 30 BDEDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001576503460 984170748 /nfs/dbraw/zinc/17/07/48/984170748.db2.gz SXUXLTPVRUVOBT-CYBMUJFWSA-N 2 2 230.315 1.124 20 30 BDEDLP CC[N@H+](CCC1([NH3+])CCOCC1)C[C@H](C)C#N ZINC001577710878 984649276 /nfs/dbraw/zinc/64/92/76/984649276.db2.gz GJVORLOOGSFNHT-GFCCVEGCSA-N 2 2 239.363 1.366 20 30 BDEDLP CC[N@@H+](CCC1([NH3+])CCOCC1)C[C@H](C)C#N ZINC001577710878 984649306 /nfs/dbraw/zinc/64/93/06/984649306.db2.gz GJVORLOOGSFNHT-GFCCVEGCSA-N 2 2 239.363 1.366 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578485514 985118081 /nfs/dbraw/zinc/11/80/81/985118081.db2.gz JSCJYARRIPMXAB-IMRBUKKESA-N 2 2 245.301 1.347 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578485514 985118089 /nfs/dbraw/zinc/11/80/89/985118089.db2.gz JSCJYARRIPMXAB-IMRBUKKESA-N 2 2 245.301 1.347 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130840 987482231 /nfs/dbraw/zinc/48/22/31/987482231.db2.gz WLJXEBXTNWYBFX-DOMZBBRYSA-N 2 2 243.354 1.831 20 30 BDEDLP CCCCCCC[C@H](C)[NH2+]CC[NH2+]CCO ZINC001246380252 987775258 /nfs/dbraw/zinc/77/52/58/987775258.db2.gz VGEXXMQQQIGXPM-ZDUSSCGKSA-N 2 2 230.396 1.907 20 30 BDEDLP C#CCCC1(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)N=N1 ZINC001246516450 987864703 /nfs/dbraw/zinc/86/47/03/987864703.db2.gz TZQUQJNZZXLSKK-VXGBXAGGSA-N 2 2 234.347 1.682 20 30 BDEDLP CC[C@H]([NH3+])C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001118121234 988018691 /nfs/dbraw/zinc/01/86/91/988018691.db2.gz CLXLRDRQBNORJW-NFOMZHRRSA-N 2 2 243.354 1.937 20 30 BDEDLP C[C@H]1CC[C@@H]([NH+]2CCC(S)CC2)C[NH2+]1 ZINC001246823910 988512252 /nfs/dbraw/zinc/51/22/52/988512252.db2.gz HLYMGZXLJLZOCG-VHSXEESVSA-N 2 2 214.378 1.521 20 30 BDEDLP SC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246825624 988514052 /nfs/dbraw/zinc/51/40/52/988514052.db2.gz UBHOZQURBJETJW-VIFPVBQESA-N 2 2 200.351 1.133 20 30 BDEDLP C#Cc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206729731 991101513 /nfs/dbraw/zinc/10/15/13/991101513.db2.gz ISMKDXQWUFUHIX-UHFFFAOYSA-N 2 2 214.312 1.449 20 30 BDEDLP CCC#C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560136918 991392740 /nfs/dbraw/zinc/39/27/40/991392740.db2.gz LQKHDLSEKYEWQN-MELADBBJSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560136918 991392747 /nfs/dbraw/zinc/39/27/47/991392747.db2.gz LQKHDLSEKYEWQN-MELADBBJSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001560136918 991392754 /nfs/dbraw/zinc/39/27/54/991392754.db2.gz LQKHDLSEKYEWQN-MELADBBJSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001560136918 991392759 /nfs/dbraw/zinc/39/27/59/991392759.db2.gz LQKHDLSEKYEWQN-MELADBBJSA-N 2 2 220.360 1.957 20 30 BDEDLP C=CCO[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC001320321352 992168393 /nfs/dbraw/zinc/16/83/93/992168393.db2.gz KWWHTURTMANLKH-ZDUSSCGKSA-N 2 2 235.331 1.550 20 30 BDEDLP C=CCO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC001320321352 992168399 /nfs/dbraw/zinc/16/83/99/992168399.db2.gz KWWHTURTMANLKH-ZDUSSCGKSA-N 2 2 235.331 1.550 20 30 BDEDLP C=CC[C@@H](C(=O)OC)[N@H+](C)CC(C)(C)C[NH3+] ZINC001574888875 992933120 /nfs/dbraw/zinc/93/31/20/992933120.db2.gz LQMYIIKCPHHYQW-JTQLQIEISA-N 2 2 228.336 1.021 20 30 BDEDLP C=CC[C@@H](C(=O)OC)[N@@H+](C)CC(C)(C)C[NH3+] ZINC001574888875 992933132 /nfs/dbraw/zinc/93/31/32/992933132.db2.gz LQMYIIKCPHHYQW-JTQLQIEISA-N 2 2 228.336 1.021 20 30 BDEDLP C=CCCCC[C@H](C)[NH2+]CC1(O)C[NH2+]C1 ZINC001574907450 992940480 /nfs/dbraw/zinc/94/04/80/992940480.db2.gz MNQPNLRPDKEVTL-NSHDSACASA-N 2 2 212.337 1.045 20 30 BDEDLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000390799113 993804529 /nfs/dbraw/zinc/80/45/29/993804529.db2.gz VZXLPJYBNBVYPE-GHMZBOCLSA-N 2 2 218.304 1.244 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000232315646 398170500 /nfs/dbraw/zinc/17/05/00/398170500.db2.gz AVEOZPJAKPTSQL-YPMHNXCESA-N 2 2 246.358 1.469 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000232315646 398170503 /nfs/dbraw/zinc/17/05/03/398170503.db2.gz AVEOZPJAKPTSQL-YPMHNXCESA-N 2 2 246.358 1.469 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306092943 343986012 /nfs/dbraw/zinc/98/60/12/343986012.db2.gz MNNUSXVMXMCTJE-OAHLLOKOSA-N 2 2 241.338 1.744 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306092943 343986016 /nfs/dbraw/zinc/98/60/16/343986016.db2.gz MNNUSXVMXMCTJE-OAHLLOKOSA-N 2 2 241.338 1.744 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CCn1cc[nH+]c1 ZINC000602505733 349582621 /nfs/dbraw/zinc/58/26/21/349582621.db2.gz XZCXWMHWPFAUMH-LLVKDONJSA-N 2 2 206.293 1.413 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CCn1cc[nH+]c1 ZINC000602505735 349582634 /nfs/dbraw/zinc/58/26/34/349582634.db2.gz XZCXWMHWPFAUMH-NSHDSACASA-N 2 2 206.293 1.413 20 30 BDEDLP C=C(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000167438446 361866331 /nfs/dbraw/zinc/86/63/31/361866331.db2.gz AGLYXTUGDGZQPX-UHFFFAOYSA-N 2 2 208.309 1.152 20 30 BDEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000404651590 398294261 /nfs/dbraw/zinc/29/42/61/398294261.db2.gz RIFOAOSCGRFPQQ-IINYFYTJSA-N 2 2 247.317 1.927 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313357638 259333807 /nfs/dbraw/zinc/33/38/07/259333807.db2.gz PYJMAWRYDSUBEZ-AWEZNQCLSA-N 2 2 245.326 1.108 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313357638 259333809 /nfs/dbraw/zinc/33/38/09/259333809.db2.gz PYJMAWRYDSUBEZ-AWEZNQCLSA-N 2 2 245.326 1.108 20 30 BDEDLP Cn1c[nH+]cc1CC[NH+]1CCC(CC#N)CC1 ZINC000602804311 349742502 /nfs/dbraw/zinc/74/25/02/349742502.db2.gz CZDLOIRCTJDDBB-UHFFFAOYSA-N 2 2 232.331 1.588 20 30 BDEDLP N#CCC1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000602817968 349758678 /nfs/dbraw/zinc/75/86/78/349758678.db2.gz LIELLTHPBKJJGE-UHFFFAOYSA-N 2 2 245.330 1.226 20 30 BDEDLP C[C@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000602864283 349796448 /nfs/dbraw/zinc/79/64/48/349796448.db2.gz RRIOCNODIXXKLX-NEPJUHHUSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000602864283 349796453 /nfs/dbraw/zinc/79/64/53/349796453.db2.gz RRIOCNODIXXKLX-NEPJUHHUSA-N 2 2 209.337 1.753 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000379458822 343522683 /nfs/dbraw/zinc/52/26/83/343522683.db2.gz QCBQFYIHFXHCNH-RYUDHWBXSA-N 2 2 219.332 1.507 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000379458822 343522686 /nfs/dbraw/zinc/52/26/86/343522686.db2.gz QCBQFYIHFXHCNH-RYUDHWBXSA-N 2 2 219.332 1.507 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251075373 343534513 /nfs/dbraw/zinc/53/45/13/343534513.db2.gz GFBMDNSFZJIGOT-UTUOFQBUSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251075373 343534516 /nfs/dbraw/zinc/53/45/16/343534516.db2.gz GFBMDNSFZJIGOT-UTUOFQBUSA-N 2 2 207.321 1.362 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982112 349833915 /nfs/dbraw/zinc/83/39/15/349833915.db2.gz NRVMKYHCTYXTNU-YPMHNXCESA-N 2 2 232.331 1.587 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982112 349833919 /nfs/dbraw/zinc/83/39/19/349833919.db2.gz NRVMKYHCTYXTNU-YPMHNXCESA-N 2 2 232.331 1.587 20 30 BDEDLP N#CCC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000518360006 344210766 /nfs/dbraw/zinc/21/07/66/344210766.db2.gz NECNCCMYXYIWPO-STQMWFEESA-N 2 2 249.358 1.037 20 30 BDEDLP N#CCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000518360004 344210790 /nfs/dbraw/zinc/21/07/90/344210790.db2.gz NECNCCMYXYIWPO-OLZOCXBDSA-N 2 2 249.358 1.037 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226830692 346696085 /nfs/dbraw/zinc/69/60/85/346696085.db2.gz NWLKPNKICJGCRN-QJPTWQEYSA-N 2 2 209.337 1.751 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226830692 346696087 /nfs/dbraw/zinc/69/60/87/346696087.db2.gz NWLKPNKICJGCRN-QJPTWQEYSA-N 2 2 209.337 1.751 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000309567156 347103847 /nfs/dbraw/zinc/10/38/47/347103847.db2.gz LIOYYTHHTVZVAT-STQMWFEESA-N 2 2 221.348 1.754 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000309769838 347159331 /nfs/dbraw/zinc/15/93/31/347159331.db2.gz KEUXSURVADOBAH-MROQNXINSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CCC[N@H+]1C ZINC000309769838 347159332 /nfs/dbraw/zinc/15/93/32/347159332.db2.gz KEUXSURVADOBAH-MROQNXINSA-N 2 2 221.348 1.751 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309892503 347194246 /nfs/dbraw/zinc/19/42/46/347194246.db2.gz DEZMSMNBJRGGEM-NEPJUHHUSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495886 347788551 /nfs/dbraw/zinc/78/85/51/347788551.db2.gz UXSJIARWVRSZSE-SMDDNHRTSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495886 347788553 /nfs/dbraw/zinc/78/85/53/347788553.db2.gz UXSJIARWVRSZSE-SMDDNHRTSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592478242 347791272 /nfs/dbraw/zinc/79/12/72/347791272.db2.gz PJDBWGBDFJRTRD-WDEREUQCSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592478242 347791273 /nfs/dbraw/zinc/79/12/73/347791273.db2.gz PJDBWGBDFJRTRD-WDEREUQCSA-N 2 2 230.315 1.122 20 30 BDEDLP C=CCCSCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000594960070 348150287 /nfs/dbraw/zinc/15/02/87/348150287.db2.gz JEAAITBKLYPNER-NWDGAFQWSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCCSCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000594960070 348150289 /nfs/dbraw/zinc/15/02/89/348150289.db2.gz JEAAITBKLYPNER-NWDGAFQWSA-N 2 2 228.405 1.835 20 30 BDEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595095079 348193371 /nfs/dbraw/zinc/19/33/71/348193371.db2.gz FFFXPBPERBUQPC-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595095079 348193373 /nfs/dbraw/zinc/19/33/73/348193373.db2.gz FFFXPBPERBUQPC-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1(C#N)CC1)C2 ZINC000595503732 348264466 /nfs/dbraw/zinc/26/44/66/348264466.db2.gz AVTNRFTYKXOFOQ-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1(C#N)CC1)C2 ZINC000595503732 348264467 /nfs/dbraw/zinc/26/44/67/348264467.db2.gz AVTNRFTYKXOFOQ-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1(C#N)CC1)C2 ZINC000595503732 348264470 /nfs/dbraw/zinc/26/44/70/348264470.db2.gz AVTNRFTYKXOFOQ-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1(C#N)CC1)C2 ZINC000595503732 348264473 /nfs/dbraw/zinc/26/44/73/348264473.db2.gz AVTNRFTYKXOFOQ-AWEZNQCLSA-N 2 2 233.359 1.708 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623892 348292364 /nfs/dbraw/zinc/29/23/64/348292364.db2.gz XWIQPEKZGGBOQV-GFCCVEGCSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623892 348292365 /nfs/dbraw/zinc/29/23/65/348292365.db2.gz XWIQPEKZGGBOQV-GFCCVEGCSA-N 2 2 232.331 1.588 20 30 BDEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595844076 348381164 /nfs/dbraw/zinc/38/11/64/348381164.db2.gz QECLJUVFNWTXQO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595844076 348381166 /nfs/dbraw/zinc/38/11/66/348381166.db2.gz QECLJUVFNWTXQO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844076 348381168 /nfs/dbraw/zinc/38/11/68/348381168.db2.gz QECLJUVFNWTXQO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844076 348381170 /nfs/dbraw/zinc/38/11/70/348381170.db2.gz QECLJUVFNWTXQO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000596652029 348605915 /nfs/dbraw/zinc/60/59/15/348605915.db2.gz FFDIVEWHXTYNMT-QWRGUYRKSA-N 2 2 217.316 1.817 20 30 BDEDLP N#CC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCCCC1 ZINC000596652926 348606850 /nfs/dbraw/zinc/60/68/50/348606850.db2.gz REXCUQRVDHKOFC-NEPJUHHUSA-N 2 2 221.348 1.930 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000596654939 348607668 /nfs/dbraw/zinc/60/76/68/348607668.db2.gz RPWVBVPEIGUZIC-QWRGUYRKSA-N 2 2 217.316 1.817 20 30 BDEDLP C#CCC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000270496811 187399598 /nfs/dbraw/zinc/39/95/98/187399598.db2.gz HJQONQVSYIVTIP-LLVKDONJSA-N 2 2 237.372 1.119 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000389092052 348836636 /nfs/dbraw/zinc/83/66/36/348836636.db2.gz AGYMAHMHHRTEOR-LBPRGKRZSA-N 2 2 232.331 1.081 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000389092052 348836639 /nfs/dbraw/zinc/83/66/39/348836639.db2.gz AGYMAHMHHRTEOR-LBPRGKRZSA-N 2 2 232.331 1.081 20 30 BDEDLP CCC(CC)[NH2+]CCNc1cc(C)[nH+]cc1C#N ZINC000599098872 349093690 /nfs/dbraw/zinc/09/36/90/349093690.db2.gz ZTGNJFFXXBHXJA-UHFFFAOYSA-N 2 2 246.358 1.874 20 30 BDEDLP CC[N@@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000314294320 350170469 /nfs/dbraw/zinc/17/04/69/350170469.db2.gz CYSOABSRHBJXIU-UHFFFAOYSA-N 2 2 220.320 1.588 20 30 BDEDLP CC[N@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000314294320 350170473 /nfs/dbraw/zinc/17/04/73/350170473.db2.gz CYSOABSRHBJXIU-UHFFFAOYSA-N 2 2 220.320 1.588 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629857 350403216 /nfs/dbraw/zinc/40/32/16/350403216.db2.gz SWUXTDMXYFATGE-LLVKDONJSA-N 2 2 203.289 1.233 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+](CCC#N)CC1CC1 ZINC000290177451 352213056 /nfs/dbraw/zinc/21/30/56/352213056.db2.gz YVQJYUYNQSGUOU-UHFFFAOYSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+](CCC#N)CC1CC1 ZINC000290177451 352213058 /nfs/dbraw/zinc/21/30/58/352213058.db2.gz YVQJYUYNQSGUOU-UHFFFAOYSA-N 2 2 232.331 1.588 20 30 BDEDLP C=CC[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000292332552 352314940 /nfs/dbraw/zinc/31/49/40/352314940.db2.gz WMZWBKTXBQXPEG-UHFFFAOYSA-N 2 2 218.304 1.675 20 30 BDEDLP C=CC[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000292332552 352314942 /nfs/dbraw/zinc/31/49/42/352314942.db2.gz WMZWBKTXBQXPEG-UHFFFAOYSA-N 2 2 218.304 1.675 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768862 353282537 /nfs/dbraw/zinc/28/25/37/353282537.db2.gz UXEBGRLZEPVGCH-WDEREUQCSA-N 2 2 207.321 1.220 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768862 353282539 /nfs/dbraw/zinc/28/25/39/353282539.db2.gz UXEBGRLZEPVGCH-WDEREUQCSA-N 2 2 207.321 1.220 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CCCC#N)C[N@@H+]1C1CC1 ZINC000336773551 353330080 /nfs/dbraw/zinc/33/00/80/353330080.db2.gz YWZGZCAHJWPPFQ-WDEREUQCSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CCCC#N)C[N@H+]1C1CC1 ZINC000336773551 353330083 /nfs/dbraw/zinc/33/00/83/353330083.db2.gz YWZGZCAHJWPPFQ-WDEREUQCSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CCCC#N)C[N@@H+]1C1CC1 ZINC000336773549 353330156 /nfs/dbraw/zinc/33/01/56/353330156.db2.gz YWZGZCAHJWPPFQ-MNOVXSKESA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CCCC#N)C[N@H+]1C1CC1 ZINC000336773549 353330159 /nfs/dbraw/zinc/33/01/59/353330159.db2.gz YWZGZCAHJWPPFQ-MNOVXSKESA-N 2 2 207.321 1.505 20 30 BDEDLP N#CC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000343318095 353665190 /nfs/dbraw/zinc/66/51/90/353665190.db2.gz WLZPVFKBGCIUGY-CYBMUJFWSA-N 2 2 233.359 1.708 20 30 BDEDLP N#CC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000343318095 353665194 /nfs/dbraw/zinc/66/51/94/353665194.db2.gz WLZPVFKBGCIUGY-CYBMUJFWSA-N 2 2 233.359 1.708 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2conc2C)CC1 ZINC000293456045 353744375 /nfs/dbraw/zinc/74/43/75/353744375.db2.gz CXBHJCKPDCABJN-UHFFFAOYSA-N 2 2 235.331 1.723 20 30 BDEDLP C=CCCOCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000580347258 353815156 /nfs/dbraw/zinc/81/51/56/353815156.db2.gz QINOLCSZKQCJJW-UHFFFAOYSA-N 2 2 223.320 1.411 20 30 BDEDLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329250006 355907431 /nfs/dbraw/zinc/90/74/31/355907431.db2.gz UDLZIRHUZOFYPL-SNVBAGLBSA-N 2 2 248.330 1.536 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000308497730 491136640 /nfs/dbraw/zinc/13/66/40/491136640.db2.gz DXQHYSKKRPBSCE-UHFFFAOYSA-N 2 2 212.362 1.342 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000177906081 134301941 /nfs/dbraw/zinc/30/19/41/134301941.db2.gz QUVXQRYSNCVBCS-STQMWFEESA-N 2 2 238.375 1.651 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000580709624 367147962 /nfs/dbraw/zinc/14/79/62/367147962.db2.gz IFTUAILHQLXQFH-ZDUSSCGKSA-N 2 2 246.358 1.670 20 30 BDEDLP C=C(C)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000386737021 368014212 /nfs/dbraw/zinc/01/42/12/368014212.db2.gz XBLPHQIOSFEHPL-UHFFFAOYSA-N 2 2 222.336 1.542 20 30 BDEDLP C[NH+](C)CC(C)(C)[NH2+]CCCSCC#N ZINC000459548499 203297972 /nfs/dbraw/zinc/29/79/72/203297972.db2.gz LWUNDECEDYIJAG-UHFFFAOYSA-N 2 2 229.393 1.563 20 30 BDEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000404285459 369425838 /nfs/dbraw/zinc/42/58/38/369425838.db2.gz XHCXGCHSXLZLHF-CHWSQXEVSA-N 2 2 245.301 1.349 20 30 BDEDLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000459735557 203347217 /nfs/dbraw/zinc/34/72/17/203347217.db2.gz TWSBMPQBFZQFGX-RYUDHWBXSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000459735557 203347220 /nfs/dbraw/zinc/34/72/20/203347220.db2.gz TWSBMPQBFZQFGX-RYUDHWBXSA-N 2 2 223.364 1.856 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000600769452 369561180 /nfs/dbraw/zinc/56/11/80/369561180.db2.gz NHURBANLJNRXHU-MFKMUULPSA-N 2 2 231.299 1.335 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000600769452 369561183 /nfs/dbraw/zinc/56/11/83/369561183.db2.gz NHURBANLJNRXHU-MFKMUULPSA-N 2 2 231.299 1.335 20 30 BDEDLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000601328832 369621760 /nfs/dbraw/zinc/62/17/60/369621760.db2.gz AJWSKUMECAIATM-FZMZJTMJSA-N 2 2 229.327 1.788 20 30 BDEDLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000601328832 369621763 /nfs/dbraw/zinc/62/17/63/369621763.db2.gz AJWSKUMECAIATM-FZMZJTMJSA-N 2 2 229.327 1.788 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000601329710 369621870 /nfs/dbraw/zinc/62/18/70/369621870.db2.gz MMNBNVOAQKSTGS-SMDDNHRTSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000601329710 369621875 /nfs/dbraw/zinc/62/18/75/369621875.db2.gz MMNBNVOAQKSTGS-SMDDNHRTSA-N 2 2 229.327 1.522 20 30 BDEDLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1C#N ZINC000601328831 369621912 /nfs/dbraw/zinc/62/19/12/369621912.db2.gz AJWSKUMECAIATM-BXUZGUMPSA-N 2 2 229.327 1.788 20 30 BDEDLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1C#N ZINC000601328831 369621916 /nfs/dbraw/zinc/62/19/16/369621916.db2.gz AJWSKUMECAIATM-BXUZGUMPSA-N 2 2 229.327 1.788 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccncc1C#N ZINC000603434876 369966419 /nfs/dbraw/zinc/96/64/19/369966419.db2.gz TYSGRNGTVDDNPM-VXGBXAGGSA-N 2 2 230.315 1.169 20 30 BDEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174299611 169207220 /nfs/dbraw/zinc/20/72/20/169207220.db2.gz IBKUKIMOERPKLJ-LBPRGKRZSA-N 2 2 247.342 1.973 20 30 BDEDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174299611 169207222 /nfs/dbraw/zinc/20/72/22/169207222.db2.gz IBKUKIMOERPKLJ-LBPRGKRZSA-N 2 2 247.342 1.973 20 30 BDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)o1)C[NH+]1CCCC1 ZINC000135152684 384066071 /nfs/dbraw/zinc/06/60/71/384066071.db2.gz IAAYMDBXGARPER-GFCCVEGCSA-N 2 2 247.342 1.973 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333042224 384204780 /nfs/dbraw/zinc/20/47/80/384204780.db2.gz FKUVLYCPTWABPE-UTUOFQBUSA-N 2 2 230.315 1.480 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308989332 385334849 /nfs/dbraw/zinc/33/48/49/385334849.db2.gz KSGGVFUZGKKQCT-NEPJUHHUSA-N 2 2 209.337 1.608 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308989332 385334851 /nfs/dbraw/zinc/33/48/51/385334851.db2.gz KSGGVFUZGKKQCT-NEPJUHHUSA-N 2 2 209.337 1.608 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460950 386124071 /nfs/dbraw/zinc/12/40/71/386124071.db2.gz VIRLKAWDWBBJEY-OLZOCXBDSA-N 2 2 233.359 1.706 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460950 386124077 /nfs/dbraw/zinc/12/40/77/386124077.db2.gz VIRLKAWDWBBJEY-OLZOCXBDSA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460950 386124084 /nfs/dbraw/zinc/12/40/84/386124084.db2.gz VIRLKAWDWBBJEY-OLZOCXBDSA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460950 386124090 /nfs/dbraw/zinc/12/40/90/386124090.db2.gz VIRLKAWDWBBJEY-OLZOCXBDSA-N 2 2 233.359 1.706 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752532 386831981 /nfs/dbraw/zinc/83/19/81/386831981.db2.gz GUZKSWHOHYIFEN-WCQYABFASA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752532 386831987 /nfs/dbraw/zinc/83/19/87/386831987.db2.gz GUZKSWHOHYIFEN-WCQYABFASA-N 2 2 233.359 1.753 20 30 BDEDLP C=CCOc1cccc(C[NH2+][C@H](C)C[NH3+])c1 ZINC000414940287 386878766 /nfs/dbraw/zinc/87/87/66/386878766.db2.gz ZOMHDPNHTBRRKM-LLVKDONJSA-N 2 2 220.316 1.688 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cncn2CC)CC1 ZINC000417898961 387018112 /nfs/dbraw/zinc/01/81/12/387018112.db2.gz JYUFIVGUFXUSBD-UHFFFAOYSA-N 2 2 248.374 1.643 20 30 BDEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423572682 387379393 /nfs/dbraw/zinc/37/93/93/387379393.db2.gz OJLUEMDIUVRUCJ-OLZOCXBDSA-N 2 2 226.364 1.699 20 30 BDEDLP C#CC[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000162242650 387333393 /nfs/dbraw/zinc/33/33/93/387333393.db2.gz WXQLWNOFRQCEBR-UHFFFAOYSA-N 2 2 217.316 1.761 20 30 BDEDLP C#CC[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000162242650 387333394 /nfs/dbraw/zinc/33/33/94/387333394.db2.gz WXQLWNOFRQCEBR-UHFFFAOYSA-N 2 2 217.316 1.761 20 30 BDEDLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192748341 387530984 /nfs/dbraw/zinc/53/09/84/387530984.db2.gz CNRVDVCNTGNKIC-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192748341 387530986 /nfs/dbraw/zinc/53/09/86/387530986.db2.gz CNRVDVCNTGNKIC-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cc(C)[nH+]cn1 ZINC000328077656 387865362 /nfs/dbraw/zinc/86/53/62/387865362.db2.gz GBFCQZJPIMMHIK-UHFFFAOYSA-N 2 2 218.304 1.152 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]cn1 ZINC000328077656 387865365 /nfs/dbraw/zinc/86/53/65/387865365.db2.gz GBFCQZJPIMMHIK-UHFFFAOYSA-N 2 2 218.304 1.152 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156503701 387987310 /nfs/dbraw/zinc/98/73/10/387987310.db2.gz OVONMQCTDZLNAU-AWEZNQCLSA-N 2 2 230.311 1.948 20 30 BDEDLP CC#CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156503701 387987313 /nfs/dbraw/zinc/98/73/13/387987313.db2.gz OVONMQCTDZLNAU-AWEZNQCLSA-N 2 2 230.311 1.948 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000453357995 388057673 /nfs/dbraw/zinc/05/76/73/388057673.db2.gz NAOBIASZPLSRIW-RNJOBUHISA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000453357995 388057677 /nfs/dbraw/zinc/05/76/77/388057677.db2.gz NAOBIASZPLSRIW-RNJOBUHISA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000453357987 388058528 /nfs/dbraw/zinc/05/85/28/388058528.db2.gz NAOBIASZPLSRIW-LOWDOPEQSA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000453357987 388058531 /nfs/dbraw/zinc/05/85/31/388058531.db2.gz NAOBIASZPLSRIW-LOWDOPEQSA-N 2 2 224.348 1.260 20 30 BDEDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423241712 388690215 /nfs/dbraw/zinc/69/02/15/388690215.db2.gz VGVBKOGQISCDGM-SMDDNHRTSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)cc1F ZINC000423438652 388692658 /nfs/dbraw/zinc/69/26/58/388692658.db2.gz RONAYYNHKOIFES-XFOOOJQKSA-N 2 2 245.301 1.566 20 30 BDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423522997 388693225 /nfs/dbraw/zinc/69/32/25/388693225.db2.gz MRAJPCGNMBUAHT-BXUZGUMPSA-N 2 2 245.326 1.197 20 30 BDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C#N)c1 ZINC000423563077 388694224 /nfs/dbraw/zinc/69/42/24/388694224.db2.gz KOYQYXPQBWKRME-FZMZJTMJSA-N 2 2 245.326 1.197 20 30 BDEDLP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C#N)c[nH+]1 ZINC000333345806 132309860 /nfs/dbraw/zinc/30/98/60/132309860.db2.gz ZFQQUDCHHXVMGW-AAEUAGOBSA-N 2 2 242.326 1.450 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954205 134022325 /nfs/dbraw/zinc/02/23/25/134022325.db2.gz RUNXJMWPASZSBA-BXUZGUMPSA-N 2 2 229.327 1.598 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954205 134022326 /nfs/dbraw/zinc/02/23/26/134022326.db2.gz RUNXJMWPASZSBA-BXUZGUMPSA-N 2 2 229.327 1.598 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954206 134022331 /nfs/dbraw/zinc/02/23/31/134022331.db2.gz RUNXJMWPASZSBA-FZMZJTMJSA-N 2 2 229.327 1.598 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954206 134022332 /nfs/dbraw/zinc/02/23/32/134022332.db2.gz RUNXJMWPASZSBA-FZMZJTMJSA-N 2 2 229.327 1.598 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367687793 134216077 /nfs/dbraw/zinc/21/60/77/134216077.db2.gz QLNSDPNIGNFWEB-UHFFFAOYSA-N 2 2 240.350 1.948 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367687793 134216078 /nfs/dbraw/zinc/21/60/78/134216078.db2.gz QLNSDPNIGNFWEB-UHFFFAOYSA-N 2 2 240.350 1.948 20 30 BDEDLP C=CCNC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000370295087 134225397 /nfs/dbraw/zinc/22/53/97/134225397.db2.gz UKDMKNZJGYWFGT-UHFFFAOYSA-N 2 2 233.319 1.019 20 30 BDEDLP C#CC[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000371266801 134228311 /nfs/dbraw/zinc/22/83/11/134228311.db2.gz QUKBCXZCLPCASU-UHFFFAOYSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CC[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000371266801 134228312 /nfs/dbraw/zinc/22/83/12/134228312.db2.gz QUKBCXZCLPCASU-UHFFFAOYSA-N 2 2 206.333 1.568 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000185709814 134392279 /nfs/dbraw/zinc/39/22/79/134392279.db2.gz NICMPVAEQUIKTI-CHWSQXEVSA-N 2 2 232.331 1.945 20 30 BDEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2ccccc2)[NH+](C)C)N1 ZINC000262672485 135120891 /nfs/dbraw/zinc/12/08/91/135120891.db2.gz RUEFIILSSFYBNQ-DGCLKSJQSA-N 2 2 246.358 1.227 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000261533010 135164262 /nfs/dbraw/zinc/16/42/62/135164262.db2.gz FTSRBXXAHFSYEG-ZWNOBZJWSA-N 2 2 215.300 1.337 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000261533010 135164263 /nfs/dbraw/zinc/16/42/63/135164263.db2.gz FTSRBXXAHFSYEG-ZWNOBZJWSA-N 2 2 215.300 1.337 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000121955342 135226694 /nfs/dbraw/zinc/22/66/94/135226694.db2.gz RHXJOOPYQILBFC-SDDRHHMPSA-N 2 2 212.337 1.308 20 30 BDEDLP CN(C)C(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000261974699 135267972 /nfs/dbraw/zinc/26/79/72/135267972.db2.gz FPOHXFXKBONGOV-JTQLQIEISA-N 2 2 240.376 1.227 20 30 BDEDLP N#Cc1csc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000309607950 397922852 /nfs/dbraw/zinc/92/28/52/397922852.db2.gz YMTJHCGOGHCPQT-GHMZBOCLSA-N 2 2 233.340 1.271 20 30 BDEDLP N#Cc1csc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000309607951 397923016 /nfs/dbraw/zinc/92/30/16/397923016.db2.gz YMTJHCGOGHCPQT-PHIMTYICSA-N 2 2 233.340 1.271 20 30 BDEDLP N#Cc1csc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000309607951 397923020 /nfs/dbraw/zinc/92/30/20/397923020.db2.gz YMTJHCGOGHCPQT-PHIMTYICSA-N 2 2 233.340 1.271 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000568168085 322918173 /nfs/dbraw/zinc/91/81/73/322918173.db2.gz WTESHYXBMYZZMU-NWDGAFQWSA-N 2 2 245.330 1.224 20 30 BDEDLP C#CCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271683044 166128881 /nfs/dbraw/zinc/12/88/81/166128881.db2.gz KGUXQHGJKCLARH-UHFFFAOYSA-N 2 2 205.305 1.618 20 30 BDEDLP C#CCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000271683044 166128884 /nfs/dbraw/zinc/12/88/84/166128884.db2.gz KGUXQHGJKCLARH-UHFFFAOYSA-N 2 2 205.305 1.618 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268537449 166298812 /nfs/dbraw/zinc/29/88/12/166298812.db2.gz KACRJEMWFVXJID-QWHCGFSZSA-N 2 2 249.358 1.916 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268537449 166298817 /nfs/dbraw/zinc/29/88/17/166298817.db2.gz KACRJEMWFVXJID-QWHCGFSZSA-N 2 2 249.358 1.916 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086253164 166352049 /nfs/dbraw/zinc/35/20/49/166352049.db2.gz VAJBSNTUYFSOEK-UHFFFAOYSA-N 2 2 219.332 1.755 20 30 BDEDLP CC#CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695846 411618153 /nfs/dbraw/zinc/61/81/53/411618153.db2.gz VCYLVMAPTCTWJS-UHFFFAOYSA-N 2 2 238.375 1.082 20 30 BDEDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C#N ZINC000190874811 173033825 /nfs/dbraw/zinc/03/38/25/173033825.db2.gz RDNCCVPINSNCAN-GFCCVEGCSA-N 2 2 232.331 1.081 20 30 BDEDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1C#N ZINC000190874811 173033826 /nfs/dbraw/zinc/03/38/26/173033826.db2.gz RDNCCVPINSNCAN-GFCCVEGCSA-N 2 2 232.331 1.081 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341469187 177237185 /nfs/dbraw/zinc/23/71/85/177237185.db2.gz BIPOUNNZHJLUIB-SWLSCSKDSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341469187 177237186 /nfs/dbraw/zinc/23/71/86/177237186.db2.gz BIPOUNNZHJLUIB-SWLSCSKDSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000235643975 177261688 /nfs/dbraw/zinc/26/16/88/177261688.db2.gz FTSRBXXAHFSYEG-GWCFXTLKSA-N 2 2 215.300 1.337 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000235643975 177261691 /nfs/dbraw/zinc/26/16/91/177261691.db2.gz FTSRBXXAHFSYEG-GWCFXTLKSA-N 2 2 215.300 1.337 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946532 487889571 /nfs/dbraw/zinc/88/95/71/487889571.db2.gz HTRYKXSVMJWAMO-DCAQKATOSA-N 2 2 200.301 1.631 20 30 BDEDLP C[NH+](C)Cc1cc(C[NH2+]CCC#N)ccc1F ZINC000567692544 326246067 /nfs/dbraw/zinc/24/60/67/326246067.db2.gz WQZWQPVNLAWXBW-UHFFFAOYSA-N 2 2 235.306 1.891 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675495428 487741049 /nfs/dbraw/zinc/74/10/49/487741049.db2.gz GSOOVVGDFQXRLI-ZIAGYGMSSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675495428 487741053 /nfs/dbraw/zinc/74/10/53/487741053.db2.gz GSOOVVGDFQXRLI-ZIAGYGMSSA-N 2 2 249.358 1.847 20 30 BDEDLP CCC[NH+]1CCC([N@H+](C)CC#CCOC)CC1 ZINC000677820044 488135643 /nfs/dbraw/zinc/13/56/43/488135643.db2.gz FNEONTOTGLMCEN-UHFFFAOYSA-N 2 2 238.375 1.442 20 30 BDEDLP CCC[NH+]1CCC([N@@H+](C)CC#CCOC)CC1 ZINC000677820044 488135647 /nfs/dbraw/zinc/13/56/47/488135647.db2.gz FNEONTOTGLMCEN-UHFFFAOYSA-N 2 2 238.375 1.442 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367848679 534439526 /nfs/dbraw/zinc/43/95/26/534439526.db2.gz KSZHSBYJTFQXAV-LLVKDONJSA-N 2 2 214.740 1.767 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367848679 534439538 /nfs/dbraw/zinc/43/95/38/534439538.db2.gz KSZHSBYJTFQXAV-LLVKDONJSA-N 2 2 214.740 1.767 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367848679 534439541 /nfs/dbraw/zinc/43/95/41/534439541.db2.gz KSZHSBYJTFQXAV-LLVKDONJSA-N 2 2 214.740 1.767 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367848679 534439549 /nfs/dbraw/zinc/43/95/49/534439549.db2.gz KSZHSBYJTFQXAV-LLVKDONJSA-N 2 2 214.740 1.767 20 30 BDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)NC(C)(C)C ZINC000263109790 535261949 /nfs/dbraw/zinc/26/19/49/535261949.db2.gz DKPCONWRFJNWLS-UHFFFAOYSA-N 2 2 237.351 1.237 20 30 BDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000854233035 588781394 /nfs/dbraw/zinc/78/13/94/588781394.db2.gz WRSZSPSLSFCGMR-OLZOCXBDSA-N 2 2 246.354 1.957 20 30 BDEDLP C[C@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000896556583 583812900 /nfs/dbraw/zinc/81/29/00/583812900.db2.gz YMRBGQQWNQGUKC-YWPUVAFDSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000896556583 583812903 /nfs/dbraw/zinc/81/29/03/583812903.db2.gz YMRBGQQWNQGUKC-YWPUVAFDSA-N 2 2 221.348 1.751 20 30 BDEDLP C#CC[N@H+](Cc1c[nH+]c2n1CCC2)C(C)C ZINC000897171391 583889260 /nfs/dbraw/zinc/88/92/60/583889260.db2.gz XQVBPKFWNRHCGK-UHFFFAOYSA-N 2 2 217.316 1.673 20 30 BDEDLP C#CC[N@@H+](Cc1c[nH+]c2n1CCC2)C(C)C ZINC000897171391 583889261 /nfs/dbraw/zinc/88/92/61/583889261.db2.gz XQVBPKFWNRHCGK-UHFFFAOYSA-N 2 2 217.316 1.673 20 30 BDEDLP C=CCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000900008234 584264720 /nfs/dbraw/zinc/26/47/20/584264720.db2.gz AYCWZTXTSXEJRE-SECBINFHSA-N 2 2 236.319 1.764 20 30 BDEDLP CC[C@H](C)CO[NH+]=C(C)c1c[nH]c(N)[nH+]1 ZINC000901246044 584408150 /nfs/dbraw/zinc/40/81/50/584408150.db2.gz KRRMFBDCVWTIML-ZETCQYMHSA-N 2 2 210.281 1.779 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(CC)cn2)CC1 ZINC000902212797 584535780 /nfs/dbraw/zinc/53/57/80/584535780.db2.gz KQLBBQWLSJJUBO-UHFFFAOYSA-N 2 2 248.374 1.643 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H]2CCC[C@H]21 ZINC000903101849 584727732 /nfs/dbraw/zinc/72/77/32/584727732.db2.gz NUWYHQPPYXIQKM-FRRDWIJNSA-N 2 2 235.375 1.999 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H]2CCC[C@H]21 ZINC000903101849 584727733 /nfs/dbraw/zinc/72/77/33/584727733.db2.gz NUWYHQPPYXIQKM-FRRDWIJNSA-N 2 2 235.375 1.999 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000903423585 584764651 /nfs/dbraw/zinc/76/46/51/584764651.db2.gz XRWCAZDPVRTRNU-ZDUSSCGKSA-N 2 2 229.327 1.708 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000903423585 584764653 /nfs/dbraw/zinc/76/46/53/584764653.db2.gz XRWCAZDPVRTRNU-ZDUSSCGKSA-N 2 2 229.327 1.708 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000903464370 584767146 /nfs/dbraw/zinc/76/71/46/584767146.db2.gz KTBCJDKIZRNBSO-GRYCIOLGSA-N 2 2 207.321 1.077 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000903464370 584767148 /nfs/dbraw/zinc/76/71/48/584767148.db2.gz KTBCJDKIZRNBSO-GRYCIOLGSA-N 2 2 207.321 1.077 20 30 BDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000772381783 585613814 /nfs/dbraw/zinc/61/38/14/585613814.db2.gz LMYNKGAETGABNA-ZDUSSCGKSA-N 2 2 224.348 1.094 20 30 BDEDLP C=CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000772381783 585613815 /nfs/dbraw/zinc/61/38/15/585613815.db2.gz LMYNKGAETGABNA-ZDUSSCGKSA-N 2 2 224.348 1.094 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000783294669 585833252 /nfs/dbraw/zinc/83/32/52/585833252.db2.gz RYPZESAEWKWCKB-YPMHNXCESA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000783294669 585833253 /nfs/dbraw/zinc/83/32/53/585833253.db2.gz RYPZESAEWKWCKB-YPMHNXCESA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000801933976 586278836 /nfs/dbraw/zinc/27/88/36/586278836.db2.gz XCZQRGWCZNEUKW-RYUDHWBXSA-N 2 2 248.330 1.518 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000801933976 586278838 /nfs/dbraw/zinc/27/88/38/586278838.db2.gz XCZQRGWCZNEUKW-RYUDHWBXSA-N 2 2 248.330 1.518 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)cn2)CC1 ZINC000808387809 586470637 /nfs/dbraw/zinc/47/06/37/586470637.db2.gz VCLVQLHYAZYKOM-UHFFFAOYSA-N 2 2 248.374 1.550 20 30 BDEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000817935407 586843655 /nfs/dbraw/zinc/84/36/55/586843655.db2.gz VGYBZEPDNXVDHF-LLVKDONJSA-N 2 2 218.300 1.308 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000823812279 587241315 /nfs/dbraw/zinc/24/13/15/587241315.db2.gz HSEFCOLPPBHFJB-CPCZMJQVSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000823812279 587241317 /nfs/dbraw/zinc/24/13/17/587241317.db2.gz HSEFCOLPPBHFJB-CPCZMJQVSA-N 2 2 221.348 1.753 20 30 BDEDLP C#C[C@H](C)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000825710204 587333546 /nfs/dbraw/zinc/33/35/46/587333546.db2.gz IOVQVAPLNRWMLP-LBPRGKRZSA-N 2 2 240.310 1.721 20 30 BDEDLP C#C[C@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000825710204 587333548 /nfs/dbraw/zinc/33/35/48/587333548.db2.gz IOVQVAPLNRWMLP-LBPRGKRZSA-N 2 2 240.310 1.721 20 30 BDEDLP C#C[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848911375 588419341 /nfs/dbraw/zinc/41/93/41/588419341.db2.gz VJJNJEUJAVWENY-OCCSQVGLSA-N 2 2 236.359 1.241 20 30 BDEDLP CN1CCC[NH+]=C1NCCCNc1cccc[nH+]1 ZINC000848992152 588427573 /nfs/dbraw/zinc/42/75/73/588427573.db2.gz RRTVYKOFKMHMPX-UHFFFAOYSA-N 2 2 247.346 1.165 20 30 BDEDLP C#Cc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000850320149 588536329 /nfs/dbraw/zinc/53/63/29/588536329.db2.gz AYJZONFITKRQEG-UHFFFAOYSA-N 2 2 239.322 2.000 20 30 BDEDLP CNc1ccccc1C=[NH+]N1CC[NH+](C)CC1 ZINC000872325183 589913324 /nfs/dbraw/zinc/91/33/24/589913324.db2.gz GPDIBUUWTMGXDT-UHFFFAOYSA-N 2 2 232.331 1.310 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OCC(C)C ZINC000872359468 589918424 /nfs/dbraw/zinc/91/84/24/589918424.db2.gz FUSKRUCORCHSPN-UHFFFAOYSA-N 2 2 207.277 1.979 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OCCOC(C)C ZINC000872376441 589925870 /nfs/dbraw/zinc/92/58/70/589925870.db2.gz KWOYUXJBJVWKLB-UHFFFAOYSA-N 2 2 237.303 1.748 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880137073 590940592 /nfs/dbraw/zinc/94/05/92/590940592.db2.gz XNSBICGZNXPBRD-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880137073 590940594 /nfs/dbraw/zinc/94/05/94/590940594.db2.gz XNSBICGZNXPBRD-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880137073 590940596 /nfs/dbraw/zinc/94/05/96/590940596.db2.gz XNSBICGZNXPBRD-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880137073 590940597 /nfs/dbraw/zinc/94/05/97/590940597.db2.gz XNSBICGZNXPBRD-QWHCGFSZSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC1(O)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000880480782 591055808 /nfs/dbraw/zinc/05/58/08/591055808.db2.gz GIPBRVMPIYNQFX-UHFFFAOYSA-N 2 2 247.342 1.042 20 30 BDEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883166214 591558697 /nfs/dbraw/zinc/55/86/97/591558697.db2.gz VOWHYORHQNMJAO-KBPBESRZSA-N 2 2 249.358 1.987 20 30 BDEDLP C=CCC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCO1 ZINC000883221903 591576694 /nfs/dbraw/zinc/57/66/94/591576694.db2.gz JXMNBTZRUNWNCX-OLZOCXBDSA-N 2 2 226.364 1.651 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000883390295 591641364 /nfs/dbraw/zinc/64/13/64/591641364.db2.gz JBZPZHWTIVTIHO-JHJVBQTASA-N 2 2 238.375 1.528 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000883390295 591641367 /nfs/dbraw/zinc/64/13/67/591641367.db2.gz JBZPZHWTIVTIHO-JHJVBQTASA-N 2 2 238.375 1.528 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000883390269 591641674 /nfs/dbraw/zinc/64/16/74/591641674.db2.gz IRKPUBUKIIWYAA-OUCADQQQSA-N 2 2 238.375 1.386 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000883390269 591641677 /nfs/dbraw/zinc/64/16/77/591641677.db2.gz IRKPUBUKIIWYAA-OUCADQQQSA-N 2 2 238.375 1.386 20 30 BDEDLP C=C(Br)C[NH2+]C1CC[NH+](CC)CC1 ZINC000133325075 591788097 /nfs/dbraw/zinc/78/80/97/591788097.db2.gz HJTPBSWIDQJOAE-UHFFFAOYSA-N 2 2 247.180 1.969 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cn1 ZINC000328253451 633747131 /nfs/dbraw/zinc/74/71/31/633747131.db2.gz JQQXXILZXANWEV-UHFFFAOYSA-N 2 2 231.343 1.435 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cn1 ZINC000328253451 633747144 /nfs/dbraw/zinc/74/71/44/633747144.db2.gz JQQXXILZXANWEV-UHFFFAOYSA-N 2 2 231.343 1.435 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167658675 640736003 /nfs/dbraw/zinc/73/60/03/640736003.db2.gz XMGXVPXJYPFWIP-WPRPVWTQSA-N 2 2 202.729 1.656 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167658675 640736011 /nfs/dbraw/zinc/73/60/11/640736011.db2.gz XMGXVPXJYPFWIP-WPRPVWTQSA-N 2 2 202.729 1.656 20 30 BDEDLP C=CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000917068820 642002931 /nfs/dbraw/zinc/00/29/31/642002931.db2.gz DIOLIDOZODQVNT-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000917068820 642002933 /nfs/dbraw/zinc/00/29/33/642002933.db2.gz DIOLIDOZODQVNT-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921498590 642926873 /nfs/dbraw/zinc/92/68/73/642926873.db2.gz JGXWNGCBHAEMOB-UHFFFAOYSA-N 2 2 235.356 1.804 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000923286278 644321557 /nfs/dbraw/zinc/32/15/57/644321557.db2.gz MHZKFBQAZPSHDB-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000923286278 644321560 /nfs/dbraw/zinc/32/15/60/644321560.db2.gz MHZKFBQAZPSHDB-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000924983292 646149712 /nfs/dbraw/zinc/14/97/12/646149712.db2.gz DOIUOOBUVGYHOU-AAEUAGOBSA-N 2 2 224.348 1.261 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779748 646308115 /nfs/dbraw/zinc/30/81/15/646308115.db2.gz IISMKSXGLPIBMF-YNEHKIRRSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779748 646308122 /nfs/dbraw/zinc/30/81/22/646308122.db2.gz IISMKSXGLPIBMF-YNEHKIRRSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779748 646308127 /nfs/dbraw/zinc/30/81/27/646308127.db2.gz IISMKSXGLPIBMF-YNEHKIRRSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779748 646308134 /nfs/dbraw/zinc/30/81/34/646308134.db2.gz IISMKSXGLPIBMF-YNEHKIRRSA-N 2 2 239.363 1.066 20 30 BDEDLP C[C@@H]([NH3+])[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000925633303 646377657 /nfs/dbraw/zinc/37/76/57/646377657.db2.gz DGKYEDQALIVMAO-YPMHNXCESA-N 2 2 217.316 1.968 20 30 BDEDLP N#CCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925658705 646393371 /nfs/dbraw/zinc/39/33/71/646393371.db2.gz YXXMKJDBHYVPHL-NSHDSACASA-N 2 2 219.332 1.554 20 30 BDEDLP N#CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926132541 646582110 /nfs/dbraw/zinc/58/21/10/646582110.db2.gz MBWGWTOXIWCRAN-STQMWFEESA-N 2 2 221.348 1.897 20 30 BDEDLP N#CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926132541 646582117 /nfs/dbraw/zinc/58/21/17/646582117.db2.gz MBWGWTOXIWCRAN-STQMWFEESA-N 2 2 221.348 1.897 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)n[nH]c1C ZINC000383154530 710977069 /nfs/dbraw/zinc/97/70/69/710977069.db2.gz KIOFJYZWNBLPNR-UHFFFAOYSA-N 2 2 234.347 1.071 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)n[nH]c1C ZINC000383154530 710977071 /nfs/dbraw/zinc/97/70/71/710977071.db2.gz KIOFJYZWNBLPNR-UHFFFAOYSA-N 2 2 234.347 1.071 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178060077 711674590 /nfs/dbraw/zinc/67/45/90/711674590.db2.gz NOFGQJHSHURCCL-NEPJUHHUSA-N 2 2 206.333 1.615 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178060077 711674591 /nfs/dbraw/zinc/67/45/91/711674591.db2.gz NOFGQJHSHURCCL-NEPJUHHUSA-N 2 2 206.333 1.615 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718931729 712788730 /nfs/dbraw/zinc/78/87/30/712788730.db2.gz SGHRQGXUMSTPJA-XQQFMLRXSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@@H](CCC#N)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718931729 712788731 /nfs/dbraw/zinc/78/87/31/712788731.db2.gz SGHRQGXUMSTPJA-XQQFMLRXSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000718931729 712788732 /nfs/dbraw/zinc/78/87/32/712788732.db2.gz SGHRQGXUMSTPJA-XQQFMLRXSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000718931729 712788733 /nfs/dbraw/zinc/78/87/33/712788733.db2.gz SGHRQGXUMSTPJA-XQQFMLRXSA-N 2 2 221.348 1.847 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532856 969726001 /nfs/dbraw/zinc/72/60/01/969726001.db2.gz YGXUONANRIWKCO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532856 969726006 /nfs/dbraw/zinc/72/60/06/969726006.db2.gz YGXUONANRIWKCO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532856 969726014 /nfs/dbraw/zinc/72/60/14/969726014.db2.gz YGXUONANRIWKCO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532856 969726023 /nfs/dbraw/zinc/72/60/23/969726023.db2.gz YGXUONANRIWKCO-OLZOCXBDSA-N 2 2 221.348 1.706 20 30 BDEDLP C=CC[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001333021330 975374578 /nfs/dbraw/zinc/37/45/78/975374578.db2.gz DXYAYRQRTBFMFE-LLVKDONJSA-N 2 2 220.320 1.496 20 30 BDEDLP C[C@@H]([NH3+])CCNc1cc(CC#N)cc[nH+]1 ZINC001159773040 972105944 /nfs/dbraw/zinc/10/59/44/972105944.db2.gz SDCJAZSAYKSPJQ-SECBINFHSA-N 2 2 204.277 1.297 20 30 BDEDLP N#Cc1cc(NC(=[NH2+])SCC[NH3+])cnc1F ZINC001167912319 956878803 /nfs/dbraw/zinc/87/88/03/956878803.db2.gz MRAGBUULRHUKEM-UHFFFAOYSA-N 2 2 239.279 1.131 20 30 BDEDLP C#CCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209268203 957374793 /nfs/dbraw/zinc/37/47/93/957374793.db2.gz WKPGBWXEPXMJOJ-OLZOCXBDSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209268203 957374806 /nfs/dbraw/zinc/37/48/06/957374806.db2.gz WKPGBWXEPXMJOJ-OLZOCXBDSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209268203 957374815 /nfs/dbraw/zinc/37/48/15/957374815.db2.gz WKPGBWXEPXMJOJ-OLZOCXBDSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209268203 957374824 /nfs/dbraw/zinc/37/48/24/957374824.db2.gz WKPGBWXEPXMJOJ-OLZOCXBDSA-N 2 2 206.333 1.426 20 30 BDEDLP CC(C)N(CCC[NH3+])c1cc(CC#N)cc[nH+]1 ZINC001156124339 963258368 /nfs/dbraw/zinc/25/83/68/963258368.db2.gz RSPVWGFMSIMLSJ-UHFFFAOYSA-N 2 2 232.331 1.711 20 30 BDEDLP C[C@@H](CC[NH2+]Cc1ccc(C#N)o1)[NH+](C)C ZINC000697884622 964607003 /nfs/dbraw/zinc/60/70/03/964607003.db2.gz AXJWACFXMMCEAP-JTQLQIEISA-N 2 2 221.304 1.581 20 30 BDEDLP C[Si](C)(C)C#C[NH2+]CCCn1cc[nH+]c1 ZINC001161682559 964684499 /nfs/dbraw/zinc/68/44/99/964684499.db2.gz VJHJKALVBONFER-UHFFFAOYSA-N 2 2 221.380 1.701 20 30 BDEDLP C[C@@H]1C[C@@H](CNc2[nH+]cccc2CC#N)C[NH2+]1 ZINC001162555092 965044534 /nfs/dbraw/zinc/04/45/34/965044534.db2.gz MCBDBWMPTXTAMR-GHMZBOCLSA-N 2 2 230.315 1.558 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162797129 965187458 /nfs/dbraw/zinc/18/74/58/965187458.db2.gz IZLYPMOPANUTAI-JHJVBQTASA-N 2 2 240.310 1.334 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235987539 966202256 /nfs/dbraw/zinc/20/22/56/966202256.db2.gz GOOZKQKVNAMKHD-GJZGRUSLSA-N 2 2 241.338 1.790 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235987539 966202269 /nfs/dbraw/zinc/20/22/69/966202269.db2.gz GOOZKQKVNAMKHD-GJZGRUSLSA-N 2 2 241.338 1.790 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001252598835 968856938 /nfs/dbraw/zinc/85/69/38/968856938.db2.gz SCQVSGXSLRJCRP-AWEZNQCLSA-N 2 2 240.391 1.730 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001252598835 968856939 /nfs/dbraw/zinc/85/69/39/968856939.db2.gz SCQVSGXSLRJCRP-AWEZNQCLSA-N 2 2 240.391 1.730 20 30 BDEDLP C=CCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209163763 969366899 /nfs/dbraw/zinc/36/68/99/969366899.db2.gz KTKMSRUAOQTTMN-OLZOCXBDSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209163763 969366908 /nfs/dbraw/zinc/36/69/08/969366908.db2.gz KTKMSRUAOQTTMN-OLZOCXBDSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209163763 969366915 /nfs/dbraw/zinc/36/69/15/969366915.db2.gz KTKMSRUAOQTTMN-OLZOCXBDSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209163763 969366920 /nfs/dbraw/zinc/36/69/20/969366920.db2.gz KTKMSRUAOQTTMN-OLZOCXBDSA-N 2 2 208.349 1.979 20 30 BDEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108235 969449116 /nfs/dbraw/zinc/44/91/16/969449116.db2.gz PLMPWPGZIYPZQR-ZDEQEGDKSA-N 2 2 221.348 1.893 20 30 BDEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108235 969449105 /nfs/dbraw/zinc/44/91/05/969449105.db2.gz PLMPWPGZIYPZQR-ZDEQEGDKSA-N 2 2 221.348 1.893 20 30 BDEDLP N#C[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209731532 969595466 /nfs/dbraw/zinc/59/54/66/969595466.db2.gz SKRGETVOBIBNLI-NSHDSACASA-N 2 2 230.315 1.620 20 30 BDEDLP N#C[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209731532 969595471 /nfs/dbraw/zinc/59/54/71/969595471.db2.gz SKRGETVOBIBNLI-NSHDSACASA-N 2 2 230.315 1.620 20 30 BDEDLP CC[NH+]1CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC000721557517 977268858 /nfs/dbraw/zinc/26/88/58/977268858.db2.gz BGYXGFDKHYWFHM-UHFFFAOYSA-N 2 2 244.342 1.527 20 30 BDEDLP C#Cc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236868495 979770222 /nfs/dbraw/zinc/77/02/22/979770222.db2.gz FDFFYMYHHWAYOL-AWEZNQCLSA-N 2 2 216.328 1.837 20 30 BDEDLP C#Cc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236868495 979770238 /nfs/dbraw/zinc/77/02/38/979770238.db2.gz FDFFYMYHHWAYOL-AWEZNQCLSA-N 2 2 216.328 1.837 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246267896 987662364 /nfs/dbraw/zinc/66/23/64/987662364.db2.gz SOXMLRDUTPXJCD-CQSZACIVSA-N 2 2 214.312 1.510 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]C2(CC#N)CCCC2)CC[NH2+]1 ZINC001246527186 987882444 /nfs/dbraw/zinc/88/24/44/987882444.db2.gz RVBHAMUZOBLDBA-VXGBXAGGSA-N 2 2 221.348 1.943 20 30 BDEDLP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246643075 988354877 /nfs/dbraw/zinc/35/48/77/988354877.db2.gz NZGXBCZXSYSLNP-GRYCIOLGSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246643075 988354887 /nfs/dbraw/zinc/35/48/87/988354887.db2.gz NZGXBCZXSYSLNP-GRYCIOLGSA-N 2 2 207.321 1.505 20 30 BDEDLP N#CC1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246657505 988382731 /nfs/dbraw/zinc/38/27/31/988382731.db2.gz OFIBQGVVELSYBZ-PYNQCMFNSA-N 2 2 219.332 1.492 20 30 BDEDLP N#CC1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246657505 988382740 /nfs/dbraw/zinc/38/27/40/988382740.db2.gz OFIBQGVVELSYBZ-PYNQCMFNSA-N 2 2 219.332 1.492 20 30 BDEDLP C[C@H]1CC[C@@H]([NH+]2CCC(CC#N)CC2)C[NH2+]1 ZINC001246800615 988479536 /nfs/dbraw/zinc/47/95/36/988479536.db2.gz FYIBGLDSTCRPIC-WCQYABFASA-N 2 2 221.348 1.753 20 30 BDEDLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000390799116 993806520 /nfs/dbraw/zinc/80/65/20/993806520.db2.gz VZXLPJYBNBVYPE-WDEREUQCSA-N 2 2 218.304 1.244 20 30 BDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000424290050 398179097 /nfs/dbraw/zinc/17/90/97/398179097.db2.gz AUUDOKOCMPVOOZ-VXGBXAGGSA-N 2 2 249.362 1.036 20 30 BDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000424290050 398179098 /nfs/dbraw/zinc/17/90/98/398179098.db2.gz AUUDOKOCMPVOOZ-VXGBXAGGSA-N 2 2 249.362 1.036 20 30 BDEDLP C=CCn1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nn1 ZINC000424376796 398182305 /nfs/dbraw/zinc/18/23/05/398182305.db2.gz LYQTUOLLDDKOJB-QWHCGFSZSA-N 2 2 249.362 1.214 20 30 BDEDLP N#CC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000602502248 349561543 /nfs/dbraw/zinc/56/15/43/349561543.db2.gz GDRSAEJAURXZKK-UHFFFAOYSA-N 2 2 218.304 1.555 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000602531219 349580240 /nfs/dbraw/zinc/58/02/40/349580240.db2.gz ULWXHJVLAGGCLD-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000602531219 349580242 /nfs/dbraw/zinc/58/02/42/349580242.db2.gz ULWXHJVLAGGCLD-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600144178 342689792 /nfs/dbraw/zinc/68/97/92/342689792.db2.gz JGLLKYIGMCSACB-GHMZBOCLSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600144178 342689793 /nfs/dbraw/zinc/68/97/93/342689793.db2.gz JGLLKYIGMCSACB-GHMZBOCLSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600144179 342689804 /nfs/dbraw/zinc/68/98/04/342689804.db2.gz JGLLKYIGMCSACB-MNOVXSKESA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600144179 342689805 /nfs/dbraw/zinc/68/98/05/342689805.db2.gz JGLLKYIGMCSACB-MNOVXSKESA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000404651592 398294467 /nfs/dbraw/zinc/29/44/67/398294467.db2.gz RIFOAOSCGRFPQQ-YGRLFVJLSA-N 2 2 247.317 1.927 20 30 BDEDLP CC[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000042454585 398323788 /nfs/dbraw/zinc/32/37/88/398323788.db2.gz MZEZKFJQNCWINY-UHFFFAOYSA-N 2 2 206.293 1.509 20 30 BDEDLP CC[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000042454585 398323789 /nfs/dbraw/zinc/32/37/89/398323789.db2.gz MZEZKFJQNCWINY-UHFFFAOYSA-N 2 2 206.293 1.509 20 30 BDEDLP C[C@@H](CCC#N)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000602668973 349685816 /nfs/dbraw/zinc/68/58/16/349685816.db2.gz ZAMZZZOBTJCEJK-NSHDSACASA-N 2 2 218.304 1.639 20 30 BDEDLP C[C@@H](CCC#N)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000602668973 349685819 /nfs/dbraw/zinc/68/58/19/349685819.db2.gz ZAMZZZOBTJCEJK-NSHDSACASA-N 2 2 218.304 1.639 20 30 BDEDLP C[C@H](CCC#N)C[N@H+](C)CC1C[NH+](C)C1 ZINC000602708701 349700812 /nfs/dbraw/zinc/70/08/12/349700812.db2.gz KQZRQWXTXSLOKX-LLVKDONJSA-N 2 2 209.337 1.420 20 30 BDEDLP C[C@H](CCC#N)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000602708701 349700814 /nfs/dbraw/zinc/70/08/14/349700814.db2.gz KQZRQWXTXSLOKX-LLVKDONJSA-N 2 2 209.337 1.420 20 30 BDEDLP C[NH+](C)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000070160763 136272508 /nfs/dbraw/zinc/27/25/08/136272508.db2.gz QWJPKYUFXKFZFA-UHFFFAOYSA-N 2 2 231.343 1.942 20 30 BDEDLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000070160763 136272509 /nfs/dbraw/zinc/27/25/09/136272509.db2.gz QWJPKYUFXKFZFA-UHFFFAOYSA-N 2 2 231.343 1.942 20 30 BDEDLP C[C@@H](C#N)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000042461138 136272884 /nfs/dbraw/zinc/27/28/84/136272884.db2.gz ZQWJFGUNZABMQF-NSHDSACASA-N 2 2 206.293 1.365 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000042461138 136272885 /nfs/dbraw/zinc/27/28/85/136272885.db2.gz ZQWJFGUNZABMQF-NSHDSACASA-N 2 2 206.293 1.365 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351574325 136369212 /nfs/dbraw/zinc/36/92/12/136369212.db2.gz NTQSXTQIBPXBOL-CYBMUJFWSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351574325 136369213 /nfs/dbraw/zinc/36/92/13/136369213.db2.gz NTQSXTQIBPXBOL-CYBMUJFWSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351574325 136369214 /nfs/dbraw/zinc/36/92/14/136369214.db2.gz NTQSXTQIBPXBOL-CYBMUJFWSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351574325 136369215 /nfs/dbraw/zinc/36/92/15/136369215.db2.gz NTQSXTQIBPXBOL-CYBMUJFWSA-N 2 2 224.348 1.092 20 30 BDEDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C#N)cc1 ZINC000261542311 136374505 /nfs/dbraw/zinc/37/45/05/136374505.db2.gz GPMUZILKLDJFBI-JTQLQIEISA-N 2 2 203.289 1.337 20 30 BDEDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000261542311 136374506 /nfs/dbraw/zinc/37/45/06/136374506.db2.gz GPMUZILKLDJFBI-JTQLQIEISA-N 2 2 203.289 1.337 20 30 BDEDLP N#Cc1cccc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000616619838 343523182 /nfs/dbraw/zinc/52/31/82/343523182.db2.gz ROUXGHRCQGOTEG-UHFFFAOYSA-N 2 2 229.327 1.696 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000390506394 537796227 /nfs/dbraw/zinc/79/62/27/537796227.db2.gz XGTHOSONQLSAJN-DGCLKSJQSA-N 2 2 224.348 1.261 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000390506394 537796236 /nfs/dbraw/zinc/79/62/36/537796236.db2.gz XGTHOSONQLSAJN-DGCLKSJQSA-N 2 2 224.348 1.261 20 30 BDEDLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1C#N ZINC000602979109 349843345 /nfs/dbraw/zinc/84/33/45/349843345.db2.gz AATZLCWMAYDPIM-RYUDHWBXSA-N 2 2 218.304 1.507 20 30 BDEDLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1C#N ZINC000602979109 349843347 /nfs/dbraw/zinc/84/33/47/349843347.db2.gz AATZLCWMAYDPIM-RYUDHWBXSA-N 2 2 218.304 1.507 20 30 BDEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000600709635 344361137 /nfs/dbraw/zinc/36/11/37/344361137.db2.gz OQWMOEUUZITPAC-ZDEQEGDKSA-N 2 2 221.348 1.799 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376647 344852275 /nfs/dbraw/zinc/85/22/75/344852275.db2.gz YQHNLSOJJRTIIG-AGIUHOORSA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376647 344852277 /nfs/dbraw/zinc/85/22/77/344852277.db2.gz YQHNLSOJJRTIIG-AGIUHOORSA-N 2 2 234.347 1.502 20 30 BDEDLP C[N@H+](CCCCC#N)CCCn1cc[nH+]c1 ZINC000119742838 344861447 /nfs/dbraw/zinc/86/14/47/344861447.db2.gz DDDZICIZRMFABX-UHFFFAOYSA-N 2 2 220.320 1.899 20 30 BDEDLP C[N@@H+](CCCCC#N)CCCn1cc[nH+]c1 ZINC000119742838 344861450 /nfs/dbraw/zinc/86/14/50/344861450.db2.gz DDDZICIZRMFABX-UHFFFAOYSA-N 2 2 220.320 1.899 20 30 BDEDLP C=CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079491551 344978829 /nfs/dbraw/zinc/97/88/29/344978829.db2.gz XDXPBRICUBFFAD-LBPRGKRZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079491551 344978830 /nfs/dbraw/zinc/97/88/30/344978830.db2.gz XDXPBRICUBFFAD-LBPRGKRZSA-N 2 2 224.348 1.358 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000309567151 347103756 /nfs/dbraw/zinc/10/37/56/347103756.db2.gz LIOYYTHHTVZVAT-CHWSQXEVSA-N 2 2 221.348 1.754 20 30 BDEDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C#N)cc1 ZINC000591581074 347677732 /nfs/dbraw/zinc/67/77/32/347677732.db2.gz KCJNUWWPKZXNIT-BPNCWPANSA-N 2 2 247.317 1.909 20 30 BDEDLP CC[C@H]1C[N@H+](Cc2ccncc2C#N)CC[C@H]1[NH3+] ZINC000592489152 347787257 /nfs/dbraw/zinc/78/72/57/347787257.db2.gz RMNRJISTOVRLPT-SMDDNHRTSA-N 2 2 244.342 1.512 20 30 BDEDLP CC[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1[NH3+] ZINC000592489152 347787258 /nfs/dbraw/zinc/78/72/58/347787258.db2.gz RMNRJISTOVRLPT-SMDDNHRTSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495883 347788295 /nfs/dbraw/zinc/78/82/95/347788295.db2.gz UXSJIARWVRSZSE-BXUZGUMPSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495883 347788298 /nfs/dbraw/zinc/78/82/98/347788298.db2.gz UXSJIARWVRSZSE-BXUZGUMPSA-N 2 2 244.342 1.370 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000594951592 348147873 /nfs/dbraw/zinc/14/78/73/348147873.db2.gz VYHNBNOLYGWGLW-MNOVXSKESA-N 2 2 230.315 1.611 20 30 BDEDLP C[C@H](C#N)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000595710517 348322795 /nfs/dbraw/zinc/32/27/95/348322795.db2.gz QEGSETUBKSNKML-LLVKDONJSA-N 2 2 232.331 1.729 20 30 BDEDLP C[C@H](C#N)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000595710517 348322797 /nfs/dbraw/zinc/32/27/97/348322797.db2.gz QEGSETUBKSNKML-LLVKDONJSA-N 2 2 232.331 1.729 20 30 BDEDLP C[C@H](C#N)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000595712305 348324624 /nfs/dbraw/zinc/32/46/24/348324624.db2.gz JNBQQFREDICKPQ-LLVKDONJSA-N 2 2 218.304 1.650 20 30 BDEDLP C[C@H](C#N)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000595712305 348324625 /nfs/dbraw/zinc/32/46/25/348324625.db2.gz JNBQQFREDICKPQ-LLVKDONJSA-N 2 2 218.304 1.650 20 30 BDEDLP C[NH2+][C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894238 348390880 /nfs/dbraw/zinc/39/08/80/348390880.db2.gz SNAGXQWZXHBXQU-OAHLLOKOSA-N 2 2 243.354 1.785 20 30 BDEDLP C[NH2+][C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894238 348390881 /nfs/dbraw/zinc/39/08/81/348390881.db2.gz SNAGXQWZXHBXQU-OAHLLOKOSA-N 2 2 243.354 1.785 20 30 BDEDLP Cc1cc(NCC[C@@H](C)[NH+](C)C)c(C#N)c[nH+]1 ZINC000596433234 348545791 /nfs/dbraw/zinc/54/57/91/348545791.db2.gz SLADMVSBAILEQY-LLVKDONJSA-N 2 2 232.331 1.436 20 30 BDEDLP C[NH2+]C1(CNc2cc(C)[nH+]cc2C#N)CCC1 ZINC000598635034 349005108 /nfs/dbraw/zinc/00/51/08/349005108.db2.gz VBKJKXVAOYOAKT-UHFFFAOYSA-N 2 2 230.315 1.238 20 30 BDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598720843 349027736 /nfs/dbraw/zinc/02/77/36/349027736.db2.gz TVXRRSAHVYIFDF-HUUCEWRRSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598720843 349027739 /nfs/dbraw/zinc/02/77/39/349027739.db2.gz TVXRRSAHVYIFDF-HUUCEWRRSA-N 2 2 241.338 1.871 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629864 350403187 /nfs/dbraw/zinc/40/31/87/350403187.db2.gz SWUXTDMXYFATGE-NSHDSACASA-N 2 2 203.289 1.233 20 30 BDEDLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336742585 350492359 /nfs/dbraw/zinc/49/23/59/350492359.db2.gz XCXCIPFKKZVKJK-IJLUTSLNSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)cs1 ZINC000093492345 350815018 /nfs/dbraw/zinc/81/50/18/350815018.db2.gz VVOHOLYSRHWLFN-SNVBAGLBSA-N 2 2 246.339 1.995 20 30 BDEDLP C=CCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000336684278 350920745 /nfs/dbraw/zinc/92/07/45/350920745.db2.gz KHYPNGQMBJGPKR-NWDGAFQWSA-N 2 2 212.337 1.309 20 30 BDEDLP C[C@@H](C#N)C[NH+](C)C/C=C\C[N@@H+](C)C[C@H](C)C#N ZINC000340152672 351949927 /nfs/dbraw/zinc/94/99/27/351949927.db2.gz OCWHUVGUIZYQGE-YOQOKRQFSA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H](C#N)C[NH+](C)C/C=C\C[N@H+](C)C[C@H](C)C#N ZINC000340152672 351949930 /nfs/dbraw/zinc/94/99/30/351949930.db2.gz OCWHUVGUIZYQGE-YOQOKRQFSA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](C)C/C=C\C[NH+](C)C[C@H](C)C#N ZINC000340152672 351949932 /nfs/dbraw/zinc/94/99/32/351949932.db2.gz OCWHUVGUIZYQGE-YOQOKRQFSA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H](C#N)C[N@H+](C)C/C=C\C[NH+](C)C[C@H](C)C#N ZINC000340152672 351949935 /nfs/dbraw/zinc/94/99/35/351949935.db2.gz OCWHUVGUIZYQGE-YOQOKRQFSA-N 2 2 248.374 1.726 20 30 BDEDLP C=C[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336764667 353256990 /nfs/dbraw/zinc/25/69/90/353256990.db2.gz QLPRWECIKVHVAO-SECBINFHSA-N 2 2 225.361 1.869 20 30 BDEDLP C=C(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336765044 353261099 /nfs/dbraw/zinc/26/10/99/353261099.db2.gz QJXNGQAKSDILHC-UHFFFAOYSA-N 2 2 225.361 1.870 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768858 353282050 /nfs/dbraw/zinc/28/20/50/353282050.db2.gz UXEBGRLZEPVGCH-GHMZBOCLSA-N 2 2 207.321 1.220 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768858 353282051 /nfs/dbraw/zinc/28/20/51/353282051.db2.gz UXEBGRLZEPVGCH-GHMZBOCLSA-N 2 2 207.321 1.220 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CCCC#N)C[N@@H+]1C1CC1 ZINC000336773550 353330189 /nfs/dbraw/zinc/33/01/89/353330189.db2.gz YWZGZCAHJWPPFQ-QWRGUYRKSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CCCC#N)C[N@H+]1C1CC1 ZINC000336773550 353330192 /nfs/dbraw/zinc/33/01/92/353330192.db2.gz YWZGZCAHJWPPFQ-QWRGUYRKSA-N 2 2 207.321 1.505 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192025300 353532145 /nfs/dbraw/zinc/53/21/45/353532145.db2.gz SQYZKFTURUAUJE-MRXNPFEDSA-N 2 2 242.366 1.922 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192025300 353532146 /nfs/dbraw/zinc/53/21/46/353532146.db2.gz SQYZKFTURUAUJE-MRXNPFEDSA-N 2 2 242.366 1.922 20 30 BDEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759640 356878283 /nfs/dbraw/zinc/87/82/83/356878283.db2.gz UKPKCRFRSHBJSK-HZSPNIEDSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759640 356878285 /nfs/dbraw/zinc/87/82/85/356878285.db2.gz UKPKCRFRSHBJSK-HZSPNIEDSA-N 2 2 238.375 1.387 20 30 BDEDLP Cc1[nH+]ccn1CC[NH+]1CCC(CC#N)CC1 ZINC000397291282 357512018 /nfs/dbraw/zinc/51/20/18/357512018.db2.gz LJNVBGINQCOBCR-UHFFFAOYSA-N 2 2 232.331 1.817 20 30 BDEDLP CCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264059978 535423260 /nfs/dbraw/zinc/42/32/60/535423260.db2.gz CNOBSWXMTKOMAF-LBPRGKRZSA-N 2 2 234.347 1.214 20 30 BDEDLP C=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133072485 358744234 /nfs/dbraw/zinc/74/42/34/358744234.db2.gz HBWBOLYLOYQMMX-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP C=CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133072485 358744235 /nfs/dbraw/zinc/74/42/35/358744235.db2.gz HBWBOLYLOYQMMX-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247324782 359212434 /nfs/dbraw/zinc/21/24/34/359212434.db2.gz GEUWTKGFIZKVNA-STQMWFEESA-N 2 2 217.316 1.789 20 30 BDEDLP CC#CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247324782 359212436 /nfs/dbraw/zinc/21/24/36/359212436.db2.gz GEUWTKGFIZKVNA-STQMWFEESA-N 2 2 217.316 1.789 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161618 359713319 /nfs/dbraw/zinc/71/33/19/359713319.db2.gz UNDFUARJNISQEL-ZDUSSCGKSA-N 2 2 232.331 1.817 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161618 359713322 /nfs/dbraw/zinc/71/33/22/359713322.db2.gz UNDFUARJNISQEL-ZDUSSCGKSA-N 2 2 232.331 1.817 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040672006 359754254 /nfs/dbraw/zinc/75/42/54/359754254.db2.gz IRHWMNYXSIVUIP-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040672006 359754258 /nfs/dbraw/zinc/75/42/58/359754258.db2.gz IRHWMNYXSIVUIP-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)C#N ZINC000433322825 201180915 /nfs/dbraw/zinc/18/09/15/201180915.db2.gz SDLVEGQGMLZYRX-LBPRGKRZSA-N 2 2 223.364 1.952 20 30 BDEDLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)C#N ZINC000433322825 201180917 /nfs/dbraw/zinc/18/09/17/201180917.db2.gz SDLVEGQGMLZYRX-LBPRGKRZSA-N 2 2 223.364 1.952 20 30 BDEDLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)C#N ZINC000433322825 201180919 /nfs/dbraw/zinc/18/09/19/201180919.db2.gz SDLVEGQGMLZYRX-LBPRGKRZSA-N 2 2 223.364 1.952 20 30 BDEDLP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)(C)C#N ZINC000433322825 201180923 /nfs/dbraw/zinc/18/09/23/201180923.db2.gz SDLVEGQGMLZYRX-LBPRGKRZSA-N 2 2 223.364 1.952 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601328717 364669562 /nfs/dbraw/zinc/66/95/62/364669562.db2.gz WWECWRDNRSOGGO-CABCVRRESA-N 2 2 241.338 1.790 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459476881 203283196 /nfs/dbraw/zinc/28/31/96/203283196.db2.gz LYQURYMZFXSCOY-YNEHKIRRSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459476881 203283199 /nfs/dbraw/zinc/28/31/99/203283199.db2.gz LYQURYMZFXSCOY-YNEHKIRRSA-N 2 2 221.348 1.753 20 30 BDEDLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C#N ZINC000600710807 369561334 /nfs/dbraw/zinc/56/13/34/369561334.db2.gz PMAJWTIJOWFQCS-FZMZJTMJSA-N 2 2 229.327 1.788 20 30 BDEDLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C#N ZINC000600710807 369561340 /nfs/dbraw/zinc/56/13/40/369561340.db2.gz PMAJWTIJOWFQCS-FZMZJTMJSA-N 2 2 229.327 1.788 20 30 BDEDLP N#Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000600769453 369563278 /nfs/dbraw/zinc/56/32/78/369563278.db2.gz VMPSWAKZBQWCTM-UHFFFAOYSA-N 2 2 245.326 1.868 20 30 BDEDLP N#Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000600769453 369563284 /nfs/dbraw/zinc/56/32/84/369563284.db2.gz VMPSWAKZBQWCTM-UHFFFAOYSA-N 2 2 245.326 1.868 20 30 BDEDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600769307 369563907 /nfs/dbraw/zinc/56/39/07/369563907.db2.gz LZLDCKQSEAHYJR-NSHDSACASA-N 2 2 221.304 1.614 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[NH2+]1 ZINC000600770187 369566009 /nfs/dbraw/zinc/56/60/09/369566009.db2.gz WFFSEZBTVCQWMX-ZJUUUORDSA-N 2 2 219.288 1.381 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1C ZINC000602563414 369814960 /nfs/dbraw/zinc/81/49/60/369814960.db2.gz ZQYARHGKABBECG-NWDGAFQWSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1C ZINC000602563414 369814962 /nfs/dbraw/zinc/81/49/62/369814962.db2.gz ZQYARHGKABBECG-NWDGAFQWSA-N 2 2 244.342 1.526 20 30 BDEDLP CC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602498373 369796127 /nfs/dbraw/zinc/79/61/27/369796127.db2.gz JKUAXRXMZJFJSE-UHFFFAOYSA-N 2 2 244.342 1.527 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000335058501 384009006 /nfs/dbraw/zinc/00/90/06/384009006.db2.gz JEOISTGFPRGPBF-JSGCOSHPSA-N 2 2 227.311 1.497 20 30 BDEDLP CC#CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173954648 384293448 /nfs/dbraw/zinc/29/34/48/384293448.db2.gz MEQHDMCJBILWKV-CYBMUJFWSA-N 2 2 208.349 1.816 20 30 BDEDLP CC#CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173954648 384293452 /nfs/dbraw/zinc/29/34/52/384293452.db2.gz MEQHDMCJBILWKV-CYBMUJFWSA-N 2 2 208.349 1.816 20 30 BDEDLP CC#CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173954648 384293456 /nfs/dbraw/zinc/29/34/56/384293456.db2.gz MEQHDMCJBILWKV-CYBMUJFWSA-N 2 2 208.349 1.816 20 30 BDEDLP CC#CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173954648 384293463 /nfs/dbraw/zinc/29/34/63/384293463.db2.gz MEQHDMCJBILWKV-CYBMUJFWSA-N 2 2 208.349 1.816 20 30 BDEDLP C[NH+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000135480190 384825186 /nfs/dbraw/zinc/82/51/86/384825186.db2.gz HMLYOIXNSZFOPQ-UHFFFAOYSA-N 2 2 207.277 1.193 20 30 BDEDLP CC#CC[N@H+](C)[C@@H]1CCC[NH+](CC#CC)CC1 ZINC000156988170 385015669 /nfs/dbraw/zinc/01/56/69/385015669.db2.gz HIOODLUDRPSQBW-OAHLLOKOSA-N 2 2 232.371 1.819 20 30 BDEDLP CC#CC[N@@H+](C)[C@@H]1CCC[NH+](CC#CC)CC1 ZINC000156988170 385015672 /nfs/dbraw/zinc/01/56/72/385015672.db2.gz HIOODLUDRPSQBW-OAHLLOKOSA-N 2 2 232.371 1.819 20 30 BDEDLP CC#CC[NH+](C)[C@@H]1CCC[N@H+](CC#CC)CC1 ZINC000156988170 385015678 /nfs/dbraw/zinc/01/56/78/385015678.db2.gz HIOODLUDRPSQBW-OAHLLOKOSA-N 2 2 232.371 1.819 20 30 BDEDLP CC#CC[NH+](C)[C@@H]1CCC[N@@H+](CC#CC)CC1 ZINC000156988170 385015682 /nfs/dbraw/zinc/01/56/82/385015682.db2.gz HIOODLUDRPSQBW-OAHLLOKOSA-N 2 2 232.371 1.819 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157251392 385117166 /nfs/dbraw/zinc/11/71/66/385117166.db2.gz UIJYFEULAGKKRZ-CYBMUJFWSA-N 2 2 206.333 1.570 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157251392 385117168 /nfs/dbraw/zinc/11/71/68/385117168.db2.gz UIJYFEULAGKKRZ-CYBMUJFWSA-N 2 2 206.333 1.570 20 30 BDEDLP CC#CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000155974465 385424282 /nfs/dbraw/zinc/42/42/82/385424282.db2.gz NTJNZFCITWCUTR-UHFFFAOYSA-N 2 2 217.316 1.933 20 30 BDEDLP CCCCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905229 385455027 /nfs/dbraw/zinc/45/50/27/385455027.db2.gz NASYSOVUAPJKFX-UHFFFAOYSA-N 2 2 249.362 1.588 20 30 BDEDLP C=CCCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000336653225 385666613 /nfs/dbraw/zinc/66/66/13/385666613.db2.gz JBBQTZSXBIHQIO-STQMWFEESA-N 2 2 226.364 1.699 20 30 BDEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000336774161 386349095 /nfs/dbraw/zinc/34/90/95/386349095.db2.gz ZHTDBXUWIMDIKF-WOPDTQHZSA-N 2 2 209.337 1.608 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)o1 ZINC000290423380 386434288 /nfs/dbraw/zinc/43/42/88/386434288.db2.gz KUWYQWIYOZBWEB-UHFFFAOYSA-N 2 2 244.298 1.870 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)o1 ZINC000290423380 386434294 /nfs/dbraw/zinc/43/42/94/386434294.db2.gz KUWYQWIYOZBWEB-UHFFFAOYSA-N 2 2 244.298 1.870 20 30 BDEDLP CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330448634 386740917 /nfs/dbraw/zinc/74/09/17/386740917.db2.gz IQRSHQNBVHGWSX-VIFPVBQESA-N 2 2 238.335 1.753 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)nn2C)CC1 ZINC000417893081 386987731 /nfs/dbraw/zinc/98/77/31/386987731.db2.gz DKOPQRBWKBHWDF-UHFFFAOYSA-N 2 2 248.374 1.469 20 30 BDEDLP Cc1cc(N[C@H](C)CC[NH+](C)C)c(C#N)c[nH+]1 ZINC000399601865 387035739 /nfs/dbraw/zinc/03/57/39/387035739.db2.gz TZQMCCSUIJXPCL-SNVBAGLBSA-N 2 2 232.331 1.436 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000320953296 387029319 /nfs/dbraw/zinc/02/93/19/387029319.db2.gz GZPMNQIAAFVDFU-JHJVBQTASA-N 2 2 238.375 1.528 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000320953296 387029322 /nfs/dbraw/zinc/02/93/22/387029322.db2.gz GZPMNQIAAFVDFU-JHJVBQTASA-N 2 2 238.375 1.528 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]CCOC ZINC000423317964 387160058 /nfs/dbraw/zinc/16/00/58/387160058.db2.gz BKGYOXOPKKRZBP-VXGBXAGGSA-N 2 2 214.353 1.413 20 30 BDEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423579878 387381873 /nfs/dbraw/zinc/38/18/73/387381873.db2.gz WUISJHMSMYVONO-STQMWFEESA-N 2 2 224.348 1.309 20 30 BDEDLP CC[C@H](C)[N@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399484791 387709815 /nfs/dbraw/zinc/70/98/15/387709815.db2.gz FAUXEHJUUVHKDJ-LBPRGKRZSA-N 2 2 246.358 1.826 20 30 BDEDLP CC[C@H](C)[N@@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399484791 387709822 /nfs/dbraw/zinc/70/98/22/387709822.db2.gz FAUXEHJUUVHKDJ-LBPRGKRZSA-N 2 2 246.358 1.826 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422983487 387794022 /nfs/dbraw/zinc/79/40/22/387794022.db2.gz ZRPVBJJKPPROGP-OLZOCXBDSA-N 3 2 239.407 1.742 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442779878 387839508 /nfs/dbraw/zinc/83/95/08/387839508.db2.gz MCVZGJZORIEMBH-TZMCWYRMSA-N 2 2 233.359 1.919 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000424202849 387929144 /nfs/dbraw/zinc/92/91/44/387929144.db2.gz TVVFHYKZIVJVTC-YVECIDJPSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000424202849 387929146 /nfs/dbraw/zinc/92/91/46/387929146.db2.gz TVVFHYKZIVJVTC-YVECIDJPSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423166065 387949593 /nfs/dbraw/zinc/94/95/93/387949593.db2.gz CBXGFOZQBKNKPP-RYUDHWBXSA-N 2 2 239.363 1.283 20 30 BDEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447297 388208871 /nfs/dbraw/zinc/20/88/71/388208871.db2.gz XYYNROGZSUDPEY-XDQVBPFNSA-N 2 2 235.375 1.999 20 30 BDEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447297 388208872 /nfs/dbraw/zinc/20/88/72/388208872.db2.gz XYYNROGZSUDPEY-XDQVBPFNSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423523000 388693034 /nfs/dbraw/zinc/69/30/34/388693034.db2.gz MRAJPCGNMBUAHT-SMDDNHRTSA-N 2 2 245.326 1.197 20 30 BDEDLP Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000424407490 388697349 /nfs/dbraw/zinc/69/73/49/388697349.db2.gz BZOQWQPAAGXZAH-DGCLKSJQSA-N 2 2 244.342 1.613 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000565168369 388920007 /nfs/dbraw/zinc/92/00/07/388920007.db2.gz CRVVZNCRZZHVKB-RYUDHWBXSA-N 2 2 209.337 1.753 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000565168369 388920004 /nfs/dbraw/zinc/92/00/04/388920004.db2.gz CRVVZNCRZZHVKB-RYUDHWBXSA-N 2 2 209.337 1.753 20 30 BDEDLP C=CCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273562883 132305998 /nfs/dbraw/zinc/30/59/98/132305998.db2.gz CKZGKOUIDVGITQ-UHFFFAOYSA-N 2 2 232.331 1.483 20 30 BDEDLP CCCNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264308351 135138344 /nfs/dbraw/zinc/13/83/44/135138344.db2.gz UIIFORXKSRCLBS-UHFFFAOYSA-N 2 2 235.335 1.034 20 30 BDEDLP C=CCOc1ccccc1C[NH2+][C@H](C)C[NH3+] ZINC000414924476 398101055 /nfs/dbraw/zinc/10/10/55/398101055.db2.gz GLIXILYYOHZLDC-LLVKDONJSA-N 2 2 220.316 1.688 20 30 BDEDLP C=CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985316 487557344 /nfs/dbraw/zinc/55/73/44/487557344.db2.gz OPBXNKCIHZPRFW-ZDUSSCGKSA-N 2 2 224.348 1.359 20 30 BDEDLP C=CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985316 487557347 /nfs/dbraw/zinc/55/73/47/487557347.db2.gz OPBXNKCIHZPRFW-ZDUSSCGKSA-N 2 2 224.348 1.359 20 30 BDEDLP C=CC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000189708840 166322385 /nfs/dbraw/zinc/32/23/85/166322385.db2.gz VQBOENAONSAVGD-UHFFFAOYSA-N 2 2 201.273 1.952 20 30 BDEDLP C=CC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000189708840 166322390 /nfs/dbraw/zinc/32/23/90/166322390.db2.gz VQBOENAONSAVGD-UHFFFAOYSA-N 2 2 201.273 1.952 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659167 411374581 /nfs/dbraw/zinc/37/45/81/411374581.db2.gz LBZBXMOKRDCYSW-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659167 411374585 /nfs/dbraw/zinc/37/45/85/411374585.db2.gz LBZBXMOKRDCYSW-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659167 411374589 /nfs/dbraw/zinc/37/45/89/411374589.db2.gz LBZBXMOKRDCYSW-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659167 411374594 /nfs/dbraw/zinc/37/45/94/411374594.db2.gz LBZBXMOKRDCYSW-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP C=CCCC(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662952826 412352559 /nfs/dbraw/zinc/35/25/59/412352559.db2.gz HVYRFJCRABXJNO-LLVKDONJSA-N 2 2 241.379 1.126 20 30 BDEDLP COCC1(C#N)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000341982224 174084717 /nfs/dbraw/zinc/08/47/17/174084717.db2.gz DHASSQHWONPDPO-UHFFFAOYSA-N 2 2 248.330 1.135 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000235351157 176302486 /nfs/dbraw/zinc/30/24/86/176302486.db2.gz FTSRBXXAHFSYEG-MFKMUULPSA-N 2 2 215.300 1.337 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000235351157 176302488 /nfs/dbraw/zinc/30/24/88/176302488.db2.gz FTSRBXXAHFSYEG-MFKMUULPSA-N 2 2 215.300 1.337 20 30 BDEDLP C=CC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)CCC[NH2+]1 ZINC000662753512 487708364 /nfs/dbraw/zinc/70/83/64/487708364.db2.gz SENYPQXDIITGSR-ZDUSSCGKSA-N 2 2 248.330 1.033 20 30 BDEDLP Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)c(C#N)c[nH+]1 ZINC000399410062 267300305 /nfs/dbraw/zinc/30/03/05/267300305.db2.gz YYPVANFJOMRSHC-NSHDSACASA-N 2 2 244.342 1.578 20 30 BDEDLP Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)c(C#N)c[nH+]1 ZINC000399410062 267300307 /nfs/dbraw/zinc/30/03/07/267300307.db2.gz YYPVANFJOMRSHC-NSHDSACASA-N 2 2 244.342 1.578 20 30 BDEDLP CC[NH2+]CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414843240 269658997 /nfs/dbraw/zinc/65/89/97/269658997.db2.gz JQDIMAAMEJYZLM-UHFFFAOYSA-N 2 2 233.315 1.266 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000571127979 323136190 /nfs/dbraw/zinc/13/61/90/323136190.db2.gz GJGOBAMUQSJXON-QWHCGFSZSA-N 2 2 232.331 1.945 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nccn1C ZINC000328211183 324239868 /nfs/dbraw/zinc/23/98/68/324239868.db2.gz WMRUJMBLYWWDJW-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000677816907 488130269 /nfs/dbraw/zinc/13/02/69/488130269.db2.gz DLPUCMXFBDNMMV-CYBMUJFWSA-N 2 2 233.315 1.170 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000677816907 488130274 /nfs/dbraw/zinc/13/02/74/488130274.db2.gz DLPUCMXFBDNMMV-CYBMUJFWSA-N 2 2 233.315 1.170 20 30 BDEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820581 488137101 /nfs/dbraw/zinc/13/71/01/488137101.db2.gz QPHUUKDPWRWKKR-CQSZACIVSA-N 2 2 238.375 1.300 20 30 BDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC000677820581 488137104 /nfs/dbraw/zinc/13/71/04/488137104.db2.gz QPHUUKDPWRWKKR-CQSZACIVSA-N 2 2 238.375 1.300 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554874 488259341 /nfs/dbraw/zinc/25/93/41/488259341.db2.gz RYSUTRMVCADNHI-CQSZACIVSA-N 2 2 246.310 1.185 20 30 BDEDLP COCC#CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554874 488259342 /nfs/dbraw/zinc/25/93/42/488259342.db2.gz RYSUTRMVCADNHI-CQSZACIVSA-N 2 2 246.310 1.185 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309085680 533735231 /nfs/dbraw/zinc/73/52/31/533735231.db2.gz XCXCIPFKKZVKJK-SDDRHHMPSA-N 2 2 209.337 1.608 20 30 BDEDLP C=CCC(C)(C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000261555223 534553786 /nfs/dbraw/zinc/55/37/86/534553786.db2.gz PNBUWBBSLOVXIN-QWHCGFSZSA-N 2 2 240.391 1.945 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352357920 534695374 /nfs/dbraw/zinc/69/53/74/534695374.db2.gz QQVMYRMBHQMLPH-JSGCOSHPSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352357920 534695378 /nfs/dbraw/zinc/69/53/78/534695378.db2.gz QQVMYRMBHQMLPH-JSGCOSHPSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352357920 534695380 /nfs/dbraw/zinc/69/53/80/534695380.db2.gz QQVMYRMBHQMLPH-JSGCOSHPSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352357920 534695381 /nfs/dbraw/zinc/69/53/81/534695381.db2.gz QQVMYRMBHQMLPH-JSGCOSHPSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCOCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000338913534 534878298 /nfs/dbraw/zinc/87/82/98/534878298.db2.gz RKLCODOQYZFREV-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404114398 527801917 /nfs/dbraw/zinc/80/19/17/527801917.db2.gz BWTAJHQMVVXZRG-CYBMUJFWSA-N 2 2 247.317 1.881 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404114398 527801923 /nfs/dbraw/zinc/80/19/23/527801923.db2.gz BWTAJHQMVVXZRG-CYBMUJFWSA-N 2 2 247.317 1.881 20 30 BDEDLP CC(C)CNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264327627 535064410 /nfs/dbraw/zinc/06/44/10/535064410.db2.gz ZHMLRBXLCZUNDA-UHFFFAOYSA-N 2 2 249.362 1.280 20 30 BDEDLP Cc1[nH+]cc(C=NNCC[NH+]2CCCCC2)n1C ZINC000853291557 588731124 /nfs/dbraw/zinc/73/11/24/588731124.db2.gz LHGBVCVMKVNOPD-UHFFFAOYSA-N 2 2 249.362 1.138 20 30 BDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000854233036 588781282 /nfs/dbraw/zinc/78/12/82/588781282.db2.gz WRSZSPSLSFCGMR-QWHCGFSZSA-N 2 2 246.354 1.957 20 30 BDEDLP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC000893674900 583194175 /nfs/dbraw/zinc/19/41/75/583194175.db2.gz ANNFGMIKEYFHHB-ZKXZWOTCSA-N 2 2 248.370 1.382 20 30 BDEDLP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000893674900 583194178 /nfs/dbraw/zinc/19/41/78/583194178.db2.gz ANNFGMIKEYFHHB-ZKXZWOTCSA-N 2 2 248.370 1.382 20 30 BDEDLP C=C(CC[NH+](C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900674619 584340128 /nfs/dbraw/zinc/34/01/28/584340128.db2.gz ZEQKDLARVXUDPU-UHFFFAOYSA-N 2 2 233.315 1.258 20 30 BDEDLP N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000902444815 584598737 /nfs/dbraw/zinc/59/87/37/584598737.db2.gz ISGBWDHYQFCNTH-ULKQDVFKSA-N 2 2 248.355 1.387 20 30 BDEDLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902728511 584662022 /nfs/dbraw/zinc/66/20/22/584662022.db2.gz VNWBYPCEYBCRNG-NSHDSACASA-N 2 2 244.342 1.698 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903471897 584775208 /nfs/dbraw/zinc/77/52/08/584775208.db2.gz WDACGSLEVLZGOA-CQSZACIVSA-N 2 2 241.338 1.932 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903852786 584807961 /nfs/dbraw/zinc/80/79/61/584807961.db2.gz BKJYUAIHXIZNOZ-CABCVRRESA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903852786 584807963 /nfs/dbraw/zinc/80/79/63/584807963.db2.gz BKJYUAIHXIZNOZ-CABCVRRESA-N 2 2 241.338 1.871 20 30 BDEDLP C#C[C@@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1CCCO1 ZINC000755055725 585293770 /nfs/dbraw/zinc/29/37/70/585293770.db2.gz MUJLKVRUTZCGID-KGLIPLIRSA-N 2 2 238.375 1.489 20 30 BDEDLP C#CCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000766895047 585509231 /nfs/dbraw/zinc/50/92/31/585509231.db2.gz IJAMDBQAGPRSBE-AWEZNQCLSA-N 2 2 220.360 1.960 20 30 BDEDLP C#CCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000766895047 585509232 /nfs/dbraw/zinc/50/92/32/585509232.db2.gz IJAMDBQAGPRSBE-AWEZNQCLSA-N 2 2 220.360 1.960 20 30 BDEDLP C#CCCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000766906567 585511165 /nfs/dbraw/zinc/51/11/65/585511165.db2.gz RSEFRELOPISLLU-UHFFFAOYSA-N 2 2 243.354 1.925 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000805753631 585845507 /nfs/dbraw/zinc/84/55/07/585845507.db2.gz HQFWCGIAZGLJMF-CQSZACIVSA-N 2 2 230.311 1.948 20 30 BDEDLP C#CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000805753631 585845508 /nfs/dbraw/zinc/84/55/08/585845508.db2.gz HQFWCGIAZGLJMF-CQSZACIVSA-N 2 2 230.311 1.948 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)COC(C)=O)CC1 ZINC000798184442 586138883 /nfs/dbraw/zinc/13/88/83/586138883.db2.gz VBNUVKZUYDTMDS-LLVKDONJSA-N 2 2 240.347 1.178 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000801933974 586278496 /nfs/dbraw/zinc/27/84/96/586278496.db2.gz XCZQRGWCZNEUKW-NEPJUHHUSA-N 2 2 248.330 1.518 20 30 BDEDLP C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000801933974 586278498 /nfs/dbraw/zinc/27/84/98/586278498.db2.gz XCZQRGWCZNEUKW-NEPJUHHUSA-N 2 2 248.330 1.518 20 30 BDEDLP C[C@H](C#N)OCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000801935737 586279329 /nfs/dbraw/zinc/27/93/29/586279329.db2.gz KRUWLVFGHUAIGL-GFCCVEGCSA-N 2 2 236.319 1.134 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000801935737 586279330 /nfs/dbraw/zinc/27/93/30/586279330.db2.gz KRUWLVFGHUAIGL-GFCCVEGCSA-N 2 2 236.319 1.134 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)cn2)CC1 ZINC000808387153 586470438 /nfs/dbraw/zinc/47/04/38/586470438.db2.gz LBAZJFJWYAYQHJ-UHFFFAOYSA-N 2 2 234.347 1.160 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000817903846 586837585 /nfs/dbraw/zinc/83/75/85/586837585.db2.gz MDXSEDOEDXBOMU-NXEZZACHSA-N 2 2 202.729 1.989 20 30 BDEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000817953431 586848458 /nfs/dbraw/zinc/84/84/58/586848458.db2.gz OMANIWSYFPTQEA-LBPRGKRZSA-N 2 2 232.327 1.569 20 30 BDEDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817953634 586849066 /nfs/dbraw/zinc/84/90/66/586849066.db2.gz RDKGVARHXHAJOI-LLVKDONJSA-N 2 2 233.315 1.459 20 30 BDEDLP Cc1[nH+]ccn1-c1ncccc1C[NH2+]CCC#N ZINC000818969948 586918149 /nfs/dbraw/zinc/91/81/49/586918149.db2.gz JRALRGGXYMUTQW-UHFFFAOYSA-N 2 2 241.298 1.579 20 30 BDEDLP C#CC[N@@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000824621270 587279986 /nfs/dbraw/zinc/27/99/86/587279986.db2.gz LFOORBVQEGVGHZ-UHFFFAOYSA-N 2 2 240.310 1.722 20 30 BDEDLP C#CC[N@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000824621270 587279987 /nfs/dbraw/zinc/27/99/87/587279987.db2.gz LFOORBVQEGVGHZ-UHFFFAOYSA-N 2 2 240.310 1.722 20 30 BDEDLP C#C[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1CCCO1 ZINC000828307183 587433583 /nfs/dbraw/zinc/43/35/83/587433583.db2.gz LRPDMJPCJIQISM-LSDHHAIUSA-N 2 2 244.338 1.703 20 30 BDEDLP C=C(C[NH+](C)C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104802 587854158 /nfs/dbraw/zinc/85/41/58/587854158.db2.gz KXADEZZRVRJVKA-UHFFFAOYSA-N 2 2 247.342 1.432 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846839516 588292231 /nfs/dbraw/zinc/29/22/31/588292231.db2.gz VSORATJBDSAJBC-NEPJUHHUSA-N 2 2 248.330 1.138 20 30 BDEDLP C[C@H](C#N)OCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846839516 588292232 /nfs/dbraw/zinc/29/22/32/588292232.db2.gz VSORATJBDSAJBC-NEPJUHHUSA-N 2 2 248.330 1.138 20 30 BDEDLP C#CCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000846909957 588296055 /nfs/dbraw/zinc/29/60/55/588296055.db2.gz AGTJXXQVNKAOJH-ZDUSSCGKSA-N 2 2 236.359 1.195 20 30 BDEDLP C#CCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000846909957 588296056 /nfs/dbraw/zinc/29/60/56/588296056.db2.gz AGTJXXQVNKAOJH-ZDUSSCGKSA-N 2 2 236.359 1.195 20 30 BDEDLP C#CCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000846909953 588296149 /nfs/dbraw/zinc/29/61/49/588296149.db2.gz AGTJXXQVNKAOJH-CYBMUJFWSA-N 2 2 236.359 1.195 20 30 BDEDLP C#CCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000846909953 588296150 /nfs/dbraw/zinc/29/61/50/588296150.db2.gz AGTJXXQVNKAOJH-CYBMUJFWSA-N 2 2 236.359 1.195 20 30 BDEDLP C#C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000847021732 588302534 /nfs/dbraw/zinc/30/25/34/588302534.db2.gz OGNLROKGDJHGSM-LBPRGKRZSA-N 2 2 203.289 1.228 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000847021732 588302535 /nfs/dbraw/zinc/30/25/35/588302535.db2.gz OGNLROKGDJHGSM-LBPRGKRZSA-N 2 2 203.289 1.228 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852007979 588654516 /nfs/dbraw/zinc/65/45/16/588654516.db2.gz CWOOTKXZMVEORC-AWEZNQCLSA-N 2 2 236.359 1.196 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852007979 588654517 /nfs/dbraw/zinc/65/45/17/588654517.db2.gz CWOOTKXZMVEORC-AWEZNQCLSA-N 2 2 236.359 1.196 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000852750298 588700249 /nfs/dbraw/zinc/70/02/49/588700249.db2.gz ZEMFKRZQTBMTLE-CABCVRRESA-N 2 2 241.338 1.394 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000852750298 588700250 /nfs/dbraw/zinc/70/02/50/588700250.db2.gz ZEMFKRZQTBMTLE-CABCVRRESA-N 2 2 241.338 1.394 20 30 BDEDLP C#CCSCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120031205 589357824 /nfs/dbraw/zinc/35/78/24/589357824.db2.gz YPYMPYKYPNNGIG-VXGBXAGGSA-N 2 2 238.400 1.568 20 30 BDEDLP C#CCSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000120031205 589357825 /nfs/dbraw/zinc/35/78/25/589357825.db2.gz YPYMPYKYPNNGIG-VXGBXAGGSA-N 2 2 238.400 1.568 20 30 BDEDLP C=C(C)CO[NH+]=Cc1c(C)cc[nH+]c1N ZINC000872386451 589928510 /nfs/dbraw/zinc/92/85/10/589928510.db2.gz NCDCKLBQIMVTOB-UHFFFAOYSA-N 2 2 205.261 1.899 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]N1CCC1 ZINC000872397430 589933975 /nfs/dbraw/zinc/93/39/75/589933975.db2.gz RBIWPCLRYGWMKP-UHFFFAOYSA-N 2 2 204.277 1.187 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873231351 590002826 /nfs/dbraw/zinc/00/28/26/590002826.db2.gz MEQLIMJAGYJCFB-HUUCEWRRSA-N 2 2 241.338 1.932 20 30 BDEDLP C=C(Cl)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877149484 590292655 /nfs/dbraw/zinc/29/26/55/590292655.db2.gz NEKKDJYYTXYJLX-UHFFFAOYSA-N 2 2 246.782 1.564 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000884610620 591993811 /nfs/dbraw/zinc/99/38/11/591993811.db2.gz QYQNNUPWOUXPNY-LLVKDONJSA-N 2 2 233.290 1.152 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000884610620 591993813 /nfs/dbraw/zinc/99/38/13/591993813.db2.gz QYQNNUPWOUXPNY-LLVKDONJSA-N 2 2 233.290 1.152 20 30 BDEDLP C#CCC1([NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC000887123545 592446343 /nfs/dbraw/zinc/44/63/43/592446343.db2.gz TYIRPSCDYOGBGH-UHFFFAOYSA-N 2 2 233.315 1.045 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC000051814302 631937591 /nfs/dbraw/zinc/93/75/91/631937591.db2.gz FAIRFBZXXMEBDY-AWEZNQCLSA-N 2 2 239.322 1.913 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924983583 635824697 /nfs/dbraw/zinc/82/46/97/635824697.db2.gz GXFBHVMSUKETJC-LBPRGKRZSA-N 2 2 240.391 1.633 20 30 BDEDLP C[C@@H](CC[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC000051814344 636025413 /nfs/dbraw/zinc/02/54/13/636025413.db2.gz ZYFIVRIYKYKLTC-AWEZNQCLSA-N 2 2 230.355 1.968 20 30 BDEDLP C#CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515161 640244025 /nfs/dbraw/zinc/24/40/25/640244025.db2.gz QUQBRLDQZHPFSX-UHFFFAOYSA-N 2 2 201.273 1.045 20 30 BDEDLP C#CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515161 640244033 /nfs/dbraw/zinc/24/40/33/640244033.db2.gz QUQBRLDQZHPFSX-UHFFFAOYSA-N 2 2 201.273 1.045 20 30 BDEDLP C#CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000932466359 640536620 /nfs/dbraw/zinc/53/66/20/640536620.db2.gz ZGRBJTMJKYIXKB-ZDUSSCGKSA-N 2 2 238.375 1.177 20 30 BDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000932466359 640536626 /nfs/dbraw/zinc/53/66/26/640536626.db2.gz ZGRBJTMJKYIXKB-ZDUSSCGKSA-N 2 2 238.375 1.177 20 30 BDEDLP [NH2+]=C(NCCCn1cc[nH+]c1)N1CCCCCC1 ZINC000305067474 641162363 /nfs/dbraw/zinc/16/23/63/641162363.db2.gz NMDQOAWGZUFDFJ-UHFFFAOYSA-N 2 2 249.362 1.464 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200992 644943001 /nfs/dbraw/zinc/94/30/01/644943001.db2.gz XMGXVPXJYPFWIP-WCBMZHEXSA-N 2 2 202.729 1.656 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200992 644943005 /nfs/dbraw/zinc/94/30/05/644943005.db2.gz XMGXVPXJYPFWIP-WCBMZHEXSA-N 2 2 202.729 1.656 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000924983295 646149410 /nfs/dbraw/zinc/14/94/10/646149410.db2.gz DOIUOOBUVGYHOU-YPMHNXCESA-N 2 2 224.348 1.261 20 30 BDEDLP C=CCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925632230 646375971 /nfs/dbraw/zinc/37/59/71/646375971.db2.gz PRQTUMZHKCPEFT-NSHDSACASA-N 2 2 210.321 1.063 20 30 BDEDLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000925633302 646378475 /nfs/dbraw/zinc/37/84/75/646378475.db2.gz DGKYEDQALIVMAO-WCQYABFASA-N 2 2 217.316 1.968 20 30 BDEDLP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1C[NH2+]C1 ZINC000925811190 646489741 /nfs/dbraw/zinc/48/97/41/646489741.db2.gz CNNARIMFAQFHQK-VIFPVBQESA-N 2 2 233.290 1.395 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ncc(C)s1 ZINC000394747977 711760238 /nfs/dbraw/zinc/76/02/38/711760238.db2.gz PBUWMPKNYRKNFW-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ncc(C)s1 ZINC000394747977 711760240 /nfs/dbraw/zinc/76/02/40/711760240.db2.gz PBUWMPKNYRKNFW-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C=C(Cl)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000852752474 712612882 /nfs/dbraw/zinc/61/28/82/712612882.db2.gz ZWHFPCYWGJHTOP-UHFFFAOYSA-N 2 2 200.713 1.567 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000385859224 711018714 /nfs/dbraw/zinc/01/87/14/711018714.db2.gz WNICEGZBPCSQEG-CQSZACIVSA-N 2 2 243.354 1.614 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000385859224 711018718 /nfs/dbraw/zinc/01/87/18/711018718.db2.gz WNICEGZBPCSQEG-CQSZACIVSA-N 2 2 243.354 1.614 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000037253347 712558638 /nfs/dbraw/zinc/55/86/38/712558638.db2.gz NWLXDNNZJRBYKO-UHFFFAOYSA-N 2 2 247.317 1.881 20 30 BDEDLP C[C@H](C#N)[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328317 964458460 /nfs/dbraw/zinc/45/84/60/964458460.db2.gz FHAFSSQYDPLKOZ-VOMCLLRMSA-N 2 2 209.337 1.703 20 30 BDEDLP C[C@H](C#N)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328317 964458466 /nfs/dbraw/zinc/45/84/66/964458466.db2.gz FHAFSSQYDPLKOZ-VOMCLLRMSA-N 2 2 209.337 1.703 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH2+]CC2(C#N)CC2)CC1 ZINC001254504489 969671929 /nfs/dbraw/zinc/67/19/29/969671929.db2.gz CAUUKDOKUDMMRN-LLVKDONJSA-N 2 2 207.321 1.364 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH2+]CC2(C#N)CC2)CC1 ZINC001254504489 969671935 /nfs/dbraw/zinc/67/19/35/969671935.db2.gz CAUUKDOKUDMMRN-LLVKDONJSA-N 2 2 207.321 1.364 20 30 BDEDLP C[NH+]1CCC([NH2+]C2(CC#N)CCCC2)CC1 ZINC001256202338 970700142 /nfs/dbraw/zinc/70/01/42/970700142.db2.gz VOGHBFGUJLLORR-UHFFFAOYSA-N 2 2 221.348 1.897 20 30 BDEDLP C=CCCC[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC001341734863 979538372 /nfs/dbraw/zinc/53/83/72/979538372.db2.gz YUXIGSHCRKVRAE-JTQLQIEISA-N 2 2 236.319 1.018 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172481995 974784018 /nfs/dbraw/zinc/78/40/18/974784018.db2.gz ZNUVLBDECAMXOI-VXGBXAGGSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172481995 974784022 /nfs/dbraw/zinc/78/40/22/974784022.db2.gz ZNUVLBDECAMXOI-VXGBXAGGSA-N 2 2 209.337 1.753 20 30 BDEDLP N#CC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246078377 972132801 /nfs/dbraw/zinc/13/28/01/972132801.db2.gz AWEVQDJUTKCHML-QQFIATSDSA-N 2 2 225.311 1.358 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001246109798 972175182 /nfs/dbraw/zinc/17/51/82/972175182.db2.gz KZKWSUBDRUUHQK-QJPTWQEYSA-N 2 2 209.337 1.656 20 30 BDEDLP CCCCCCCC[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000309433355 959875680 /nfs/dbraw/zinc/87/56/80/959875680.db2.gz GQTSDHSGCJNDHF-CYBMUJFWSA-N 2 2 228.380 1.613 20 30 BDEDLP CCCCCCCC[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000309433355 959875685 /nfs/dbraw/zinc/87/56/85/959875685.db2.gz GQTSDHSGCJNDHF-CYBMUJFWSA-N 2 2 228.380 1.613 20 30 BDEDLP N#CCC1C[NH+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168372497 964960280 /nfs/dbraw/zinc/96/02/80/964960280.db2.gz YZPHOZYCCCJOLY-UHFFFAOYSA-N 2 2 233.359 1.706 20 30 BDEDLP CN(C[C@@H]1CC[NH2+]C1)c1cc(CC#N)cc[nH+]1 ZINC001166958162 966488007 /nfs/dbraw/zinc/48/80/07/966488007.db2.gz VCOVJEPWDQJXIM-GFCCVEGCSA-N 2 2 230.315 1.193 20 30 BDEDLP C(#Cc1ccccc1)C[NH2+]CCCn1cc[nH+]c1 ZINC001120019635 968507287 /nfs/dbraw/zinc/50/72/87/968507287.db2.gz GEJGPDZJJFAVFM-UHFFFAOYSA-N 2 2 239.322 1.915 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001252598836 968857499 /nfs/dbraw/zinc/85/74/99/968857499.db2.gz SCQVSGXSLRJCRP-CQSZACIVSA-N 2 2 240.391 1.730 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001252598836 968857501 /nfs/dbraw/zinc/85/75/01/968857501.db2.gz SCQVSGXSLRJCRP-CQSZACIVSA-N 2 2 240.391 1.730 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001252617900 968878606 /nfs/dbraw/zinc/87/86/06/968878606.db2.gz AAVPBSBJFFBJQP-UONOGXRCSA-N 2 2 240.391 1.633 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001252617900 968878609 /nfs/dbraw/zinc/87/86/09/968878609.db2.gz AAVPBSBJFFBJQP-UONOGXRCSA-N 2 2 240.391 1.633 20 30 BDEDLP C=CC[NH+](CC=C)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253393670 969154791 /nfs/dbraw/zinc/15/47/91/969154791.db2.gz ZPXHFMAUGIMERV-GFCCVEGCSA-N 2 2 226.364 1.409 20 30 BDEDLP C=C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001253580874 969258056 /nfs/dbraw/zinc/25/80/56/969258056.db2.gz ACKYAZNCJJYWRU-GFCCVEGCSA-N 2 2 221.304 1.067 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC001254509460 969684380 /nfs/dbraw/zinc/68/43/80/969684380.db2.gz NTTORNFOPCCLOP-LLVKDONJSA-N 2 2 233.315 1.725 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC001254509460 969684385 /nfs/dbraw/zinc/68/43/85/969684385.db2.gz NTTORNFOPCCLOP-LLVKDONJSA-N 2 2 233.315 1.725 20 30 BDEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254650005 969763997 /nfs/dbraw/zinc/76/39/97/969763997.db2.gz SEWGILCHTWWHDP-IHRRRGAJSA-N 2 2 235.375 1.999 20 30 BDEDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254650005 969764002 /nfs/dbraw/zinc/76/40/02/969764002.db2.gz SEWGILCHTWWHDP-IHRRRGAJSA-N 2 2 235.375 1.999 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CCOc1cc[nH+]cc1 ZINC001255164553 969976627 /nfs/dbraw/zinc/97/66/27/969976627.db2.gz ODOUOBXQINPDSP-NSHDSACASA-N 2 2 219.288 1.742 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]CCCn1cc[nH+]c1 ZINC001172476980 974774128 /nfs/dbraw/zinc/77/41/28/974774128.db2.gz SUOODUMZILXRPG-LBPRGKRZSA-N 2 2 220.320 1.945 20 30 BDEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001252619494 983855054 /nfs/dbraw/zinc/85/50/54/983855054.db2.gz MEYXGYOZAKHCLG-KBPBESRZSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001252619494 983855053 /nfs/dbraw/zinc/85/50/53/983855053.db2.gz MEYXGYOZAKHCLG-KBPBESRZSA-N 2 2 238.375 1.387 20 30 BDEDLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001578241826 984895041 /nfs/dbraw/zinc/89/50/41/984895041.db2.gz NHEJFKDBTSYTSD-QCNOEVLYSA-N 2 2 207.321 1.409 20 30 BDEDLP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578493448 985122418 /nfs/dbraw/zinc/12/24/18/985122418.db2.gz XESRAVDADKIYTR-WDNDVIMCSA-N 2 2 227.311 1.208 20 30 BDEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578493448 985122422 /nfs/dbraw/zinc/12/24/22/985122422.db2.gz XESRAVDADKIYTR-WDNDVIMCSA-N 2 2 227.311 1.208 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041248 986452279 /nfs/dbraw/zinc/45/22/79/986452279.db2.gz YHMYRNNMSRVRDF-CSYMLDBXSA-N 2 2 205.305 1.161 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](C#N)C1 ZINC001254675514 986726372 /nfs/dbraw/zinc/72/63/72/986726372.db2.gz FWDAIOAGHPJMFA-STQMWFEESA-N 2 2 232.331 1.897 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](C#N)C1 ZINC001254675514 986726381 /nfs/dbraw/zinc/72/63/81/986726381.db2.gz FWDAIOAGHPJMFA-STQMWFEESA-N 2 2 232.331 1.897 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000689762631 987202283 /nfs/dbraw/zinc/20/22/83/987202283.db2.gz PXYJKLKFUFKHGW-GFCCVEGCSA-N 2 2 205.305 1.476 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246136893 987489268 /nfs/dbraw/zinc/48/92/68/987489268.db2.gz YNILVTKYMAUENL-MXWKQRLJSA-N 2 2 205.305 1.020 20 30 BDEDLP N#Cc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246191580 987576244 /nfs/dbraw/zinc/57/62/44/987576244.db2.gz OHWVUYQGSHOTQL-AWEZNQCLSA-N 2 2 229.327 1.442 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246265692 987659329 /nfs/dbraw/zinc/65/93/29/987659329.db2.gz PWGDPPYKFRYUAV-SWLSCSKDSA-N 2 2 228.339 1.898 20 30 BDEDLP C[C@@H](CC#N)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001474251411 987667074 /nfs/dbraw/zinc/66/70/74/987667074.db2.gz ZURVDEXBFREDDU-NSHDSACASA-N 2 2 241.298 1.659 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246864777 988614475 /nfs/dbraw/zinc/61/44/75/988614475.db2.gz AKFKOHYCLIKUEA-KCPJHIHWSA-N 2 2 241.338 1.522 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246864777 988614492 /nfs/dbraw/zinc/61/44/92/988614492.db2.gz AKFKOHYCLIKUEA-KCPJHIHWSA-N 2 2 241.338 1.522 20 30 BDEDLP CC1(C#N)CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923289 988737033 /nfs/dbraw/zinc/73/70/33/988737033.db2.gz XSEQSJGCBNCJJI-IGJPJIBNSA-N 2 2 219.332 1.362 20 30 BDEDLP CC1(C#N)CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923289 988737052 /nfs/dbraw/zinc/73/70/52/988737052.db2.gz XSEQSJGCBNCJJI-IGJPJIBNSA-N 2 2 219.332 1.362 20 30 BDEDLP C[C@@H](C[NH3+])[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001326474178 989571379 /nfs/dbraw/zinc/57/13/79/989571379.db2.gz UCBGUZJRILRKHN-XGNXJENSSA-N 2 2 229.327 1.547 20 30 BDEDLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120574087 989740580 /nfs/dbraw/zinc/74/05/80/989740580.db2.gz KASZXHLELPQWBN-CHWSQXEVSA-N 2 2 234.347 1.361 20 30 BDEDLP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120574087 989740590 /nfs/dbraw/zinc/74/05/90/989740590.db2.gz KASZXHLELPQWBN-CHWSQXEVSA-N 2 2 234.347 1.361 20 30 BDEDLP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001262562982 992916879 /nfs/dbraw/zinc/91/68/79/992916879.db2.gz QSYQFJSNGZSDDI-OLZOCXBDSA-N 2 2 234.347 1.361 20 30 BDEDLP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001262562982 992916891 /nfs/dbraw/zinc/91/68/91/992916891.db2.gz QSYQFJSNGZSDDI-OLZOCXBDSA-N 2 2 234.347 1.361 20 30 BDEDLP C=CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1OC ZINC001574901519 992942823 /nfs/dbraw/zinc/94/28/23/992942823.db2.gz LAOPHTZWWFEDIM-QJPTWQEYSA-N 2 2 212.337 1.308 20 30 BDEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)C[C@@H]1C[NH3+] ZINC001576732929 993411827 /nfs/dbraw/zinc/41/18/27/993411827.db2.gz ZVCSGMVBRLYPJP-YPMHNXCESA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C[C@@H]1C[NH3+] ZINC001576732929 993411829 /nfs/dbraw/zinc/41/18/29/993411829.db2.gz ZVCSGMVBRLYPJP-YPMHNXCESA-N 2 2 244.342 1.370 20 30 BDEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135166658 398142442 /nfs/dbraw/zinc/14/24/42/398142442.db2.gz DZTQSKGTFOZEKI-GFCCVEGCSA-N 2 2 247.342 1.971 20 30 BDEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135166658 398142445 /nfs/dbraw/zinc/14/24/45/398142445.db2.gz DZTQSKGTFOZEKI-GFCCVEGCSA-N 2 2 247.342 1.971 20 30 BDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000424290049 398179251 /nfs/dbraw/zinc/17/92/51/398179251.db2.gz AUUDOKOCMPVOOZ-RYUDHWBXSA-N 2 2 249.362 1.036 20 30 BDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000424290049 398179254 /nfs/dbraw/zinc/17/92/54/398179254.db2.gz AUUDOKOCMPVOOZ-RYUDHWBXSA-N 2 2 249.362 1.036 20 30 BDEDLP C=CCOCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386190369 398199238 /nfs/dbraw/zinc/19/92/38/398199238.db2.gz ZHGKHQAIYWEZAY-NWDGAFQWSA-N 2 2 212.337 1.309 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000649382799 398191542 /nfs/dbraw/zinc/19/15/42/398191542.db2.gz RRIYUSXBQQHDTH-VXGBXAGGSA-N 2 2 235.331 1.526 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000649382799 398191546 /nfs/dbraw/zinc/19/15/46/398191546.db2.gz RRIYUSXBQQHDTH-VXGBXAGGSA-N 2 2 235.331 1.526 20 30 BDEDLP CC[C@@H](C)NC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000194687621 136221064 /nfs/dbraw/zinc/22/10/64/136221064.db2.gz WBHPPVRZAJKEOZ-LLVKDONJSA-N 2 2 249.362 1.586 20 30 BDEDLP N#CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000602543321 349587726 /nfs/dbraw/zinc/58/77/26/349587726.db2.gz APOWZBDPEGNOGW-WXRRBKDZSA-N 2 2 233.359 1.895 20 30 BDEDLP N#CC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000602543321 349587727 /nfs/dbraw/zinc/58/77/27/349587727.db2.gz APOWZBDPEGNOGW-WXRRBKDZSA-N 2 2 233.359 1.895 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]C(C)(C)C[NH+](C)C ZINC000602687778 349678721 /nfs/dbraw/zinc/67/87/21/349678721.db2.gz MBXGAOVRJYNGIC-NSHDSACASA-N 2 2 211.353 1.856 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739225 343902715 /nfs/dbraw/zinc/90/27/15/343902715.db2.gz RKXUSLVNCZBIRR-IINYFYTJSA-N 2 2 247.317 1.737 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739225 343902716 /nfs/dbraw/zinc/90/27/16/343902716.db2.gz RKXUSLVNCZBIRR-IINYFYTJSA-N 2 2 247.317 1.737 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000135134560 343941969 /nfs/dbraw/zinc/94/19/69/343941969.db2.gz YJZHBFCQKQOYBW-UHFFFAOYSA-N 2 2 233.315 1.727 20 30 BDEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C ZINC000126769592 344183518 /nfs/dbraw/zinc/18/35/18/344183518.db2.gz PBXJOMRPTNKXED-NSHDSACASA-N 2 2 211.353 1.856 20 30 BDEDLP N#CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792482 344534743 /nfs/dbraw/zinc/53/47/43/344534743.db2.gz HFZPUIDYOGBXKG-UHFFFAOYSA-N 2 2 204.277 1.434 20 30 BDEDLP CC[N@@H+](CC#N)CCCn1cc[nH+]c1C ZINC000120464627 344891426 /nfs/dbraw/zinc/89/14/26/344891426.db2.gz NYVDVSKAXIWGDO-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP CC[N@H+](CC#N)CCCn1cc[nH+]c1C ZINC000120464627 344891429 /nfs/dbraw/zinc/89/14/29/344891429.db2.gz NYVDVSKAXIWGDO-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP N#CCC[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000122729827 344971532 /nfs/dbraw/zinc/97/15/32/344971532.db2.gz JOERHAIYTRXKDN-UHFFFAOYSA-N 2 2 218.304 1.509 20 30 BDEDLP N#CCC[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000122729827 344971536 /nfs/dbraw/zinc/97/15/36/344971536.db2.gz JOERHAIYTRXKDN-UHFFFAOYSA-N 2 2 218.304 1.509 20 30 BDEDLP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000425219432 192084658 /nfs/dbraw/zinc/08/46/58/192084658.db2.gz ABUQNGQOCACQFJ-LBPRGKRZSA-N 2 2 244.342 1.650 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156084493 345123773 /nfs/dbraw/zinc/12/37/73/345123773.db2.gz NCFSERUAEWNKDS-JHJVBQTASA-N 2 2 221.348 1.895 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156084493 345123776 /nfs/dbraw/zinc/12/37/76/345123776.db2.gz NCFSERUAEWNKDS-JHJVBQTASA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000591580634 347678017 /nfs/dbraw/zinc/67/80/17/347678017.db2.gz CWJHLAAPGDRUBT-BDAKNGLRSA-N 2 2 221.279 1.695 20 30 BDEDLP N#CCC[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000591754460 347690595 /nfs/dbraw/zinc/69/05/95/347690595.db2.gz OFHLKSFKLDUBTH-UHFFFAOYSA-N 2 2 200.245 1.338 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000592437209 347779226 /nfs/dbraw/zinc/77/92/26/347779226.db2.gz CUWFVYYBVWJOOZ-NNYUYHANSA-N 2 2 207.321 1.266 20 30 BDEDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccncc1C#N ZINC000592478502 347791196 /nfs/dbraw/zinc/79/11/96/347791196.db2.gz FOPRJFMWBFMTSE-GHMZBOCLSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccncc1C#N ZINC000592478502 347791199 /nfs/dbraw/zinc/79/11/99/347791199.db2.gz FOPRJFMWBFMTSE-GHMZBOCLSA-N 2 2 230.315 1.122 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000593978003 347986162 /nfs/dbraw/zinc/98/61/62/347986162.db2.gz XENOBCCGZDQVTB-AWEZNQCLSA-N 2 2 246.358 1.978 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000593978003 347986165 /nfs/dbraw/zinc/98/61/65/347986165.db2.gz XENOBCCGZDQVTB-AWEZNQCLSA-N 2 2 246.358 1.978 20 30 BDEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000595095069 348193763 /nfs/dbraw/zinc/19/37/63/348193763.db2.gz FFFXPBPERBUQPC-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000595095069 348193767 /nfs/dbraw/zinc/19/37/67/348193767.db2.gz FFFXPBPERBUQPC-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844251 348381858 /nfs/dbraw/zinc/38/18/58/348381858.db2.gz RTWMCMDNWJZRLR-GFCCVEGCSA-N 2 2 218.304 1.427 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844251 348381860 /nfs/dbraw/zinc/38/18/60/348381860.db2.gz RTWMCMDNWJZRLR-GFCCVEGCSA-N 2 2 218.304 1.427 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000595885035 348388613 /nfs/dbraw/zinc/38/86/13/348388613.db2.gz LODJRDRAPNCIHY-ZDUSSCGKSA-N 2 2 215.300 1.134 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000595885035 348388614 /nfs/dbraw/zinc/38/86/14/348388614.db2.gz LODJRDRAPNCIHY-ZDUSSCGKSA-N 2 2 215.300 1.134 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000599087247 349090465 /nfs/dbraw/zinc/09/04/65/349090465.db2.gz GZMBWVPBSXUCHN-SRVKXCTJSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000599087247 349090470 /nfs/dbraw/zinc/09/04/70/349090470.db2.gz GZMBWVPBSXUCHN-SRVKXCTJSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000599087249 349090686 /nfs/dbraw/zinc/09/06/86/349090686.db2.gz GZMBWVPBSXUCHN-UTUOFQBUSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000599087249 349090688 /nfs/dbraw/zinc/09/06/88/349090688.db2.gz GZMBWVPBSXUCHN-UTUOFQBUSA-N 2 2 207.321 1.362 20 30 BDEDLP Cc1[nH+]ccn1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352480481 180252703 /nfs/dbraw/zinc/25/27/03/180252703.db2.gz CNFNYIHWKQILRA-UHFFFAOYSA-N 2 2 236.294 1.519 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336745902 352735552 /nfs/dbraw/zinc/73/55/52/352735552.db2.gz BPSMMSNSYUDJJU-RYUDHWBXSA-N 2 2 212.337 1.119 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336745902 352735556 /nfs/dbraw/zinc/73/55/56/352735556.db2.gz BPSMMSNSYUDJJU-RYUDHWBXSA-N 2 2 212.337 1.119 20 30 BDEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336761766 353175694 /nfs/dbraw/zinc/17/56/94/353175694.db2.gz KUHMEJDJSJMMTR-FRRDWIJNSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336761766 353175697 /nfs/dbraw/zinc/17/56/97/353175697.db2.gz KUHMEJDJSJMMTR-FRRDWIJNSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[N@@H+]1C1CC1 ZINC000336773548 353329905 /nfs/dbraw/zinc/32/99/05/353329905.db2.gz YWZGZCAHJWPPFQ-GHMZBOCLSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[N@H+]1C1CC1 ZINC000336773548 353329907 /nfs/dbraw/zinc/32/99/07/353329907.db2.gz YWZGZCAHJWPPFQ-GHMZBOCLSA-N 2 2 207.321 1.505 20 30 BDEDLP C#CC[NH+](CC#C)CCCc1c[nH+]ccc1C ZINC000289978377 353644594 /nfs/dbraw/zinc/64/45/94/353644594.db2.gz JMWVAAPEFJUYFF-UHFFFAOYSA-N 2 2 226.323 1.891 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336782199 353710645 /nfs/dbraw/zinc/71/06/45/353710645.db2.gz WXZCWTNAOFBICF-CHWSQXEVSA-N 2 2 226.364 1.509 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336782199 353710648 /nfs/dbraw/zinc/71/06/48/353710648.db2.gz WXZCWTNAOFBICF-CHWSQXEVSA-N 2 2 226.364 1.509 20 30 BDEDLP C=CCOCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000293769798 353757047 /nfs/dbraw/zinc/75/70/47/353757047.db2.gz KTRVVEGKEJUSOV-UHFFFAOYSA-N 2 2 223.320 1.408 20 30 BDEDLP C=CCOCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000293769798 353757051 /nfs/dbraw/zinc/75/70/51/353757051.db2.gz KTRVVEGKEJUSOV-UHFFFAOYSA-N 2 2 223.320 1.408 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000417357318 191792152 /nfs/dbraw/zinc/79/21/52/191792152.db2.gz REGBSCKWEPWROS-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329518980 355927283 /nfs/dbraw/zinc/92/72/83/355927283.db2.gz NTKUEIPAXAWNBA-VWYCJHECSA-N 2 2 230.315 1.549 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329518980 355927285 /nfs/dbraw/zinc/92/72/85/355927285.db2.gz NTKUEIPAXAWNBA-VWYCJHECSA-N 2 2 230.315 1.549 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1CCC([NH+](C)C)CC1 ZINC000351614293 356028860 /nfs/dbraw/zinc/02/88/60/356028860.db2.gz FTURHFKEXNVWQV-NSHDSACASA-N 2 2 209.337 1.705 20 30 BDEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450474958 202174010 /nfs/dbraw/zinc/17/40/10/202174010.db2.gz UIPRDPWWLGHRCX-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450474958 202174013 /nfs/dbraw/zinc/17/40/13/202174013.db2.gz UIPRDPWWLGHRCX-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450474958 202174017 /nfs/dbraw/zinc/17/40/17/202174017.db2.gz UIPRDPWWLGHRCX-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450474958 202174021 /nfs/dbraw/zinc/17/40/21/202174021.db2.gz UIPRDPWWLGHRCX-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000094341365 356858571 /nfs/dbraw/zinc/85/85/71/356858571.db2.gz CDAPNGIMSAADCV-FZMZJTMJSA-N 2 2 229.327 1.727 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000094341365 356858573 /nfs/dbraw/zinc/85/85/73/356858573.db2.gz CDAPNGIMSAADCV-FZMZJTMJSA-N 2 2 229.327 1.727 20 30 BDEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)[N@H+](C)C1CC1 ZINC000582660654 357356911 /nfs/dbraw/zinc/35/69/11/357356911.db2.gz LDLIGPFDCCXJER-VXGBXAGGSA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)[N@@H+](C)C1CC1 ZINC000582660654 357356914 /nfs/dbraw/zinc/35/69/14/357356914.db2.gz LDLIGPFDCCXJER-VXGBXAGGSA-N 2 2 234.347 1.502 20 30 BDEDLP N#CCC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000397160898 357505240 /nfs/dbraw/zinc/50/52/40/357505240.db2.gz UIYWTNYBZAIVDD-UHFFFAOYSA-N 2 2 218.304 1.509 20 30 BDEDLP CCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264083209 535423602 /nfs/dbraw/zinc/42/36/02/535423602.db2.gz IYKXETHGZXGTHP-VIFPVBQESA-N 2 2 240.376 1.275 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)C(C)C)CC1 ZINC000177911385 134301667 /nfs/dbraw/zinc/30/16/67/134301667.db2.gz ODZRRTNKHOGHHQ-AWEZNQCLSA-N 2 2 240.391 1.897 20 30 BDEDLP C#CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835858 359225252 /nfs/dbraw/zinc/22/52/52/359225252.db2.gz XFWCVLRLCPLKLI-ZDUSSCGKSA-N 2 2 206.333 1.427 20 30 BDEDLP C#CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835858 359225254 /nfs/dbraw/zinc/22/52/54/359225254.db2.gz XFWCVLRLCPLKLI-ZDUSSCGKSA-N 2 2 206.333 1.427 20 30 BDEDLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)C#N ZINC000247440553 359220990 /nfs/dbraw/zinc/22/09/90/359220990.db2.gz WTGYNSXQVFQSNN-OLZOCXBDSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)C#N ZINC000247440553 359220993 /nfs/dbraw/zinc/22/09/93/359220993.db2.gz WTGYNSXQVFQSNN-OLZOCXBDSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)C#N ZINC000247440553 359220995 /nfs/dbraw/zinc/22/09/95/359220995.db2.gz WTGYNSXQVFQSNN-OLZOCXBDSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](C)C#N ZINC000247440553 359220997 /nfs/dbraw/zinc/22/09/97/359220997.db2.gz WTGYNSXQVFQSNN-OLZOCXBDSA-N 2 2 223.364 1.952 20 30 BDEDLP C[C@@]1(C#N)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000612159458 359709056 /nfs/dbraw/zinc/70/90/56/359709056.db2.gz UYZGSVBTDDYJNK-ZDUSSCGKSA-N 2 2 232.331 1.899 20 30 BDEDLP C[C@@]1(C#N)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000612159458 359709058 /nfs/dbraw/zinc/70/90/58/359709058.db2.gz UYZGSVBTDDYJNK-ZDUSSCGKSA-N 2 2 232.331 1.899 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000451676906 202459998 /nfs/dbraw/zinc/45/99/98/202459998.db2.gz UEVCWZHNUDEEKN-KGLIPLIRSA-N 2 2 238.375 1.796 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306522417 360363765 /nfs/dbraw/zinc/36/37/65/360363765.db2.gz LTPHLHHCZCREKH-ZJUUUORDSA-N 2 2 200.713 1.423 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306522417 360363772 /nfs/dbraw/zinc/36/37/72/360363772.db2.gz LTPHLHHCZCREKH-ZJUUUORDSA-N 2 2 200.713 1.423 20 30 BDEDLP C=CCCOCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386077839 367909418 /nfs/dbraw/zinc/90/94/18/367909418.db2.gz GKAFDJFMUMQVNM-STQMWFEESA-N 2 2 226.364 1.699 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573706 369353769 /nfs/dbraw/zinc/35/37/69/369353769.db2.gz QAWGKGUJUAENBK-OKILXGFUSA-N 2 2 227.311 1.209 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573706 369353775 /nfs/dbraw/zinc/35/37/75/369353775.db2.gz QAWGKGUJUAENBK-OKILXGFUSA-N 2 2 227.311 1.209 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000619672783 369521125 /nfs/dbraw/zinc/52/11/25/369521125.db2.gz ZQJQJAOFMJAOMP-RDBSUJKOSA-N 2 2 233.359 1.753 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000619672783 369521129 /nfs/dbraw/zinc/52/11/29/369521129.db2.gz ZQJQJAOFMJAOMP-RDBSUJKOSA-N 2 2 233.359 1.753 20 30 BDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000619718182 369548919 /nfs/dbraw/zinc/54/89/19/369548919.db2.gz DHKBOOBBEMEQLE-GFCCVEGCSA-N 2 2 249.314 1.248 20 30 BDEDLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1C#N ZINC000600703124 369560022 /nfs/dbraw/zinc/56/00/22/369560022.db2.gz LCFPWNHHAGRMNQ-LLVKDONJSA-N 2 2 217.316 1.646 20 30 BDEDLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1C#N ZINC000600703124 369560025 /nfs/dbraw/zinc/56/00/25/369560025.db2.gz LCFPWNHHAGRMNQ-LLVKDONJSA-N 2 2 217.316 1.646 20 30 BDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769688 369562454 /nfs/dbraw/zinc/56/24/54/369562454.db2.gz YBGUUKAQQNUNST-CABZTGNLSA-N 2 2 219.288 1.320 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769688 369562456 /nfs/dbraw/zinc/56/24/56/369562456.db2.gz YBGUUKAQQNUNST-CABZTGNLSA-N 2 2 219.288 1.320 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600769656 369563237 /nfs/dbraw/zinc/56/32/37/369563237.db2.gz XDBAAWAOWVWSOD-NSHDSACASA-N 2 2 233.315 1.583 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600769656 369563243 /nfs/dbraw/zinc/56/32/43/369563243.db2.gz XDBAAWAOWVWSOD-NSHDSACASA-N 2 2 233.315 1.583 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[NH2+]1 ZINC000600770182 369565890 /nfs/dbraw/zinc/56/58/90/369565890.db2.gz WFFSEZBTVCQWMX-NXEZZACHSA-N 2 2 219.288 1.381 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[NH2+]1 ZINC000600770185 369566240 /nfs/dbraw/zinc/56/62/40/369566240.db2.gz WFFSEZBTVCQWMX-VHSXEESVSA-N 2 2 219.288 1.381 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602472572 369792651 /nfs/dbraw/zinc/79/26/51/369792651.db2.gz KXZBVXDYNJQXQR-LBPRGKRZSA-N 2 2 244.342 1.337 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602472572 369792656 /nfs/dbraw/zinc/79/26/56/369792656.db2.gz KXZBVXDYNJQXQR-LBPRGKRZSA-N 2 2 244.342 1.337 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000309629960 370236317 /nfs/dbraw/zinc/23/63/17/370236317.db2.gz QYHMOBDFYMJOKS-UHFFFAOYSA-N 2 2 220.320 1.150 20 30 BDEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623838419 371119509 /nfs/dbraw/zinc/11/95/09/371119509.db2.gz UKPKCRFRSHBJSK-RDBSUJKOSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623838419 371119518 /nfs/dbraw/zinc/11/95/18/371119518.db2.gz UKPKCRFRSHBJSK-RDBSUJKOSA-N 2 2 238.375 1.387 20 30 BDEDLP C[N@H+](CCC[NH3+])Cc1ccccc1C#N ZINC000227747406 371930052 /nfs/dbraw/zinc/93/00/52/371930052.db2.gz RKHHAIONNLOIBR-UHFFFAOYSA-N 2 2 203.289 1.339 20 30 BDEDLP C[N@@H+](CCC[NH3+])Cc1ccccc1C#N ZINC000227747406 371930058 /nfs/dbraw/zinc/93/00/58/371930058.db2.gz RKHHAIONNLOIBR-UHFFFAOYSA-N 2 2 203.289 1.339 20 30 BDEDLP CC[N@H+](CCNc1cc(C)[nH+]cc1C#N)C(C)C ZINC000425227583 206020687 /nfs/dbraw/zinc/02/06/87/206020687.db2.gz PEAAXGOLXMCLHD-UHFFFAOYSA-N 2 2 246.358 1.826 20 30 BDEDLP CC[N@@H+](CCNc1cc(C)[nH+]cc1C#N)C(C)C ZINC000425227583 206020690 /nfs/dbraw/zinc/02/06/90/206020690.db2.gz PEAAXGOLXMCLHD-UHFFFAOYSA-N 2 2 246.358 1.826 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308675918 383998566 /nfs/dbraw/zinc/99/85/66/383998566.db2.gz WDTOLFMAPMZICT-MNOVXSKESA-N 2 2 214.378 1.445 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308675918 383998590 /nfs/dbraw/zinc/99/85/90/383998590.db2.gz WDTOLFMAPMZICT-MNOVXSKESA-N 2 2 214.378 1.445 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371209060 533050052 /nfs/dbraw/zinc/05/00/52/533050052.db2.gz RTVKNERVXPESBR-NSHDSACASA-N 2 2 203.289 1.612 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371209060 533050057 /nfs/dbraw/zinc/05/00/57/533050057.db2.gz RTVKNERVXPESBR-NSHDSACASA-N 2 2 203.289 1.612 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000647181277 384549982 /nfs/dbraw/zinc/54/99/82/384549982.db2.gz SYOALMJUQNZZJA-WCQYABFASA-N 2 2 224.348 1.404 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000647181278 384551284 /nfs/dbraw/zinc/55/12/84/384551284.db2.gz SYOALMJUQNZZJA-YPMHNXCESA-N 2 2 224.348 1.404 20 30 BDEDLP CN(C)C(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000170914547 385456531 /nfs/dbraw/zinc/45/65/31/385456531.db2.gz NGUFAMWWMHRBSW-UHFFFAOYSA-N 2 2 235.335 1.150 20 30 BDEDLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)C#N ZINC000595821635 385638853 /nfs/dbraw/zinc/63/88/53/385638853.db2.gz YCJRIUVLJFUKCQ-NSHDSACASA-N 2 2 206.293 1.507 20 30 BDEDLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)C#N ZINC000595821635 385638858 /nfs/dbraw/zinc/63/88/58/385638858.db2.gz YCJRIUVLJFUKCQ-NSHDSACASA-N 2 2 206.293 1.507 20 30 BDEDLP C=CCOc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000414965567 385905771 /nfs/dbraw/zinc/90/57/71/385905771.db2.gz ZOMHDPNHTBRRKM-NSHDSACASA-N 2 2 220.316 1.688 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335063316 386032308 /nfs/dbraw/zinc/03/23/08/386032308.db2.gz NVECKPXERQIFQA-UKRRQHHQSA-N 2 2 241.338 1.887 20 30 BDEDLP C=CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423579876 387382613 /nfs/dbraw/zinc/38/26/13/387382613.db2.gz WUISJHMSMYVONO-OLZOCXBDSA-N 2 2 224.348 1.309 20 30 BDEDLP C[NH+](C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000020054128 387507940 /nfs/dbraw/zinc/50/79/40/387507940.db2.gz MJCFFLMVNAHOJJ-UHFFFAOYSA-N 2 2 235.306 1.739 20 30 BDEDLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192748359 387530431 /nfs/dbraw/zinc/53/04/31/387530431.db2.gz CNRVDVCNTGNKIC-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192748359 387530435 /nfs/dbraw/zinc/53/04/35/387530435.db2.gz CNRVDVCNTGNKIC-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192736357 387532817 /nfs/dbraw/zinc/53/28/17/387532817.db2.gz BDLLVJFRCBJIMW-YNEHKIRRSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192736357 387532819 /nfs/dbraw/zinc/53/28/19/387532819.db2.gz BDLLVJFRCBJIMW-YNEHKIRRSA-N 2 2 221.348 1.753 20 30 BDEDLP C=C(Cl)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000575555656 387693380 /nfs/dbraw/zinc/69/33/80/387693380.db2.gz ANUPGVFIONXTOU-VHSXEESVSA-N 2 2 200.713 1.280 20 30 BDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000575555656 387693385 /nfs/dbraw/zinc/69/33/85/387693385.db2.gz ANUPGVFIONXTOU-VHSXEESVSA-N 2 2 200.713 1.280 20 30 BDEDLP CC(C)(C[NH+]1CCCC1)[NH2+]CC1(C#N)CC1 ZINC000452092861 387731679 /nfs/dbraw/zinc/73/16/79/387731679.db2.gz FHWQRANVRDNYPH-UHFFFAOYSA-N 2 2 221.348 1.754 20 30 BDEDLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442854946 387851894 /nfs/dbraw/zinc/85/18/94/387851894.db2.gz PDPHMQGGYNTVFT-KBPBESRZSA-N 2 2 233.359 1.920 20 30 BDEDLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442854946 387851899 /nfs/dbraw/zinc/85/18/99/387851899.db2.gz PDPHMQGGYNTVFT-KBPBESRZSA-N 2 2 233.359 1.920 20 30 BDEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000582660204 387868314 /nfs/dbraw/zinc/86/83/14/387868314.db2.gz ARAGCYZFWZEXSZ-HZSPNIEDSA-N 2 2 248.374 1.892 20 30 BDEDLP C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000423105698 387891337 /nfs/dbraw/zinc/89/13/37/387891337.db2.gz ZINRFWRQPCUVGY-NWDGAFQWSA-N 2 2 221.348 1.800 20 30 BDEDLP C=CCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423084758 387879145 /nfs/dbraw/zinc/87/91/45/387879145.db2.gz IUABLKXNKLNZEM-OLZOCXBDSA-N 2 2 224.348 1.309 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000424175625 387884491 /nfs/dbraw/zinc/88/44/91/387884491.db2.gz QDFMDSLZHOCZLS-FQUUOJAGSA-N 2 2 238.375 1.507 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000424175625 387884495 /nfs/dbraw/zinc/88/44/95/387884495.db2.gz QDFMDSLZHOCZLS-FQUUOJAGSA-N 2 2 238.375 1.507 20 30 BDEDLP Cn1c[nH+]cc1CCC[NH+]1CCC(C)(C#N)CC1 ZINC000314318582 388398141 /nfs/dbraw/zinc/39/81/41/388398141.db2.gz HEXPXRPJPKVWGH-UHFFFAOYSA-N 2 2 246.358 1.978 20 30 BDEDLP C=CC[C@H](CC)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000393767243 388440930 /nfs/dbraw/zinc/44/09/30/388440930.db2.gz COCILJFWVNKBAL-AGIUHOORSA-N 2 2 226.364 1.698 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000573216736 388433070 /nfs/dbraw/zinc/43/30/70/388433070.db2.gz AWSPQRXJMQSYDJ-JHJVBQTASA-N 2 2 244.342 1.902 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000573216736 388433074 /nfs/dbraw/zinc/43/30/74/388433074.db2.gz AWSPQRXJMQSYDJ-JHJVBQTASA-N 2 2 244.342 1.902 20 30 BDEDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414964288 388667177 /nfs/dbraw/zinc/66/71/77/388667177.db2.gz USLCFMGDQXEYPE-LLVKDONJSA-N 2 2 247.342 1.654 20 30 BDEDLP C#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000192226212 388677485 /nfs/dbraw/zinc/67/74/85/388677485.db2.gz YKHCRDPXNXLPPO-UHFFFAOYSA-N 2 2 225.295 1.937 20 30 BDEDLP C#CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000192226212 388677487 /nfs/dbraw/zinc/67/74/87/388677487.db2.gz YKHCRDPXNXLPPO-UHFFFAOYSA-N 2 2 225.295 1.937 20 30 BDEDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423321771 388691600 /nfs/dbraw/zinc/69/16/00/388691600.db2.gz FXFIRBITKOWBGN-GFCCVEGCSA-N 2 2 247.342 1.445 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248746667 388691620 /nfs/dbraw/zinc/69/16/20/388691620.db2.gz BDLLVJFRCBJIMW-FRRDWIJNSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248746667 388691621 /nfs/dbraw/zinc/69/16/21/388691621.db2.gz BDLLVJFRCBJIMW-FRRDWIJNSA-N 2 2 221.348 1.753 20 30 BDEDLP C#C[C@@H](CC)[NH2+]Cc1c[nH+]cn1C(C)C ZINC000229899040 388804728 /nfs/dbraw/zinc/80/47/28/388804728.db2.gz VYBHQISVCZFUHT-NSHDSACASA-N 2 2 205.305 1.965 20 30 BDEDLP C=C[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229319206 388786323 /nfs/dbraw/zinc/78/63/23/388786323.db2.gz ZSIAASQENGLTHT-SECBINFHSA-N 2 2 208.309 1.150 20 30 BDEDLP Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C#N)c[nH+]1 ZINC000333345808 132309985 /nfs/dbraw/zinc/30/99/85/132309985.db2.gz ZFQQUDCHHXVMGW-WCQYABFASA-N 2 2 242.326 1.450 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954208 134022474 /nfs/dbraw/zinc/02/24/74/134022474.db2.gz RUNXJMWPASZSBA-SMDDNHRTSA-N 2 2 229.327 1.598 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954208 134022475 /nfs/dbraw/zinc/02/24/75/134022475.db2.gz RUNXJMWPASZSBA-SMDDNHRTSA-N 2 2 229.327 1.598 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000336103072 134083729 /nfs/dbraw/zinc/08/37/29/134083729.db2.gz IWJRROCRNNAYII-SNVBAGLBSA-N 2 2 242.282 1.452 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000360190651 134199037 /nfs/dbraw/zinc/19/90/37/134199037.db2.gz WLCSOTBFXCQOQU-LBPRGKRZSA-N 2 2 239.363 1.379 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)CC#N ZINC000063095842 134395797 /nfs/dbraw/zinc/39/57/97/134395797.db2.gz SSDPLXSHBOFNMB-JTQLQIEISA-N 2 2 206.293 1.426 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)CC#N ZINC000063095842 134395799 /nfs/dbraw/zinc/39/57/99/134395799.db2.gz SSDPLXSHBOFNMB-JTQLQIEISA-N 2 2 206.293 1.426 20 30 BDEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000264085681 135132450 /nfs/dbraw/zinc/13/24/50/135132450.db2.gz JPDIHFYHXJPGCV-CYBMUJFWSA-N 2 2 246.358 1.356 20 30 BDEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)NC1CC1 ZINC000264123019 135134417 /nfs/dbraw/zinc/13/44/17/135134417.db2.gz RMWYENAJPNFOIQ-UHFFFAOYSA-N 2 2 243.314 1.172 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccco1 ZINC000294541727 135377515 /nfs/dbraw/zinc/37/75/15/135377515.db2.gz APZIWBKFNUUPMG-GFCCVEGCSA-N 2 2 220.316 1.885 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccco1 ZINC000294541727 135377516 /nfs/dbraw/zinc/37/75/16/135377516.db2.gz APZIWBKFNUUPMG-GFCCVEGCSA-N 2 2 220.316 1.885 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727491 398039384 /nfs/dbraw/zinc/03/93/84/398039384.db2.gz FHFXSBJWWHXPFH-IUODEOHRSA-N 2 2 243.354 1.792 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727491 398039390 /nfs/dbraw/zinc/03/93/90/398039390.db2.gz FHFXSBJWWHXPFH-IUODEOHRSA-N 2 2 243.354 1.792 20 30 BDEDLP C=C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655723804 411296742 /nfs/dbraw/zinc/29/67/42/411296742.db2.gz SXKLJUPZKSZREE-WCQYABFASA-N 2 2 224.348 1.404 20 30 BDEDLP C=C(CC)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653727709 411258797 /nfs/dbraw/zinc/25/87/97/411258797.db2.gz TZAGYJHBSBDQFD-UHFFFAOYSA-N 2 2 240.391 1.778 20 30 BDEDLP C=C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659908580 411495161 /nfs/dbraw/zinc/49/51/61/411495161.db2.gz ISLFTRMODNFIBE-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659908580 411495164 /nfs/dbraw/zinc/49/51/64/411495164.db2.gz ISLFTRMODNFIBE-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=CCOc1ccc(C[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000663506333 411687553 /nfs/dbraw/zinc/68/75/53/411687553.db2.gz CHNPOSOBTPNQMS-LBPRGKRZSA-N 2 2 234.343 1.949 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153297 412009219 /nfs/dbraw/zinc/00/92/19/412009219.db2.gz AGAVAHOOLZWBNM-CYBMUJFWSA-N 2 2 224.348 1.094 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153297 412009223 /nfs/dbraw/zinc/00/92/23/412009223.db2.gz AGAVAHOOLZWBNM-CYBMUJFWSA-N 2 2 224.348 1.094 20 30 BDEDLP C=CC[C@@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000662838110 412316432 /nfs/dbraw/zinc/31/64/32/412316432.db2.gz CVDHEBNOTIRKSB-ZDUSSCGKSA-N 2 2 248.330 1.066 20 30 BDEDLP C=CC[C@@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000662838110 412316435 /nfs/dbraw/zinc/31/64/35/412316435.db2.gz CVDHEBNOTIRKSB-ZDUSSCGKSA-N 2 2 248.330 1.066 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000165225997 173055997 /nfs/dbraw/zinc/05/59/97/173055997.db2.gz OHJBTCCGEKNUQI-JTQLQIEISA-N 2 2 235.356 1.804 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000165225997 173055999 /nfs/dbraw/zinc/05/59/99/173055999.db2.gz OHJBTCCGEKNUQI-JTQLQIEISA-N 2 2 235.356 1.804 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535758003 323190578 /nfs/dbraw/zinc/19/05/78/323190578.db2.gz OQKFYGUNJWALBI-CHWSQXEVSA-N 2 2 249.358 1.537 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535758003 323190579 /nfs/dbraw/zinc/19/05/79/323190579.db2.gz OQKFYGUNJWALBI-CHWSQXEVSA-N 2 2 249.358 1.537 20 30 BDEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000566824788 326085863 /nfs/dbraw/zinc/08/58/63/326085863.db2.gz WPPFDTGZQOIGSL-UHFFFAOYSA-N 2 2 221.304 1.535 20 30 BDEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000566824788 326085866 /nfs/dbraw/zinc/08/58/66/326085866.db2.gz WPPFDTGZQOIGSL-UHFFFAOYSA-N 2 2 221.304 1.535 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000677479547 488106627 /nfs/dbraw/zinc/10/66/27/488106627.db2.gz OWWUWLDNQSDMCU-ZDUSSCGKSA-N 2 2 235.331 1.457 20 30 BDEDLP C=CCOCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000679486386 488354602 /nfs/dbraw/zinc/35/46/02/488354602.db2.gz KELZQOFIWHTLHO-UHFFFAOYSA-N 2 2 245.326 1.935 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000341871663 534402265 /nfs/dbraw/zinc/40/22/65/534402265.db2.gz CADGYCLGEKKYFP-OBJOEFQTSA-N 2 2 238.375 1.243 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000341871663 534402271 /nfs/dbraw/zinc/40/22/71/534402271.db2.gz CADGYCLGEKKYFP-OBJOEFQTSA-N 2 2 238.375 1.243 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000121522270 534780453 /nfs/dbraw/zinc/78/04/53/534780453.db2.gz CKCVQYVHQKEHHC-STQMWFEESA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000121522270 534780459 /nfs/dbraw/zinc/78/04/59/534780459.db2.gz CKCVQYVHQKEHHC-STQMWFEESA-N 2 2 238.375 1.794 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1CC)C(C)C ZINC000300999953 527410785 /nfs/dbraw/zinc/41/07/85/527410785.db2.gz WYDQBQKWVSJOSD-LBPRGKRZSA-N 2 2 205.305 1.650 20 30 BDEDLP N#Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000892251933 582814100 /nfs/dbraw/zinc/81/41/00/582814100.db2.gz MJNGHGGUGCJRNJ-PHIMTYICSA-N 2 2 233.340 1.271 20 30 BDEDLP N#Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000892251933 582814101 /nfs/dbraw/zinc/81/41/01/582814101.db2.gz MJNGHGGUGCJRNJ-PHIMTYICSA-N 2 2 233.340 1.271 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000894229588 583384175 /nfs/dbraw/zinc/38/41/75/583384175.db2.gz UNELXAIKQPIJMB-CYBMUJFWSA-N 2 2 238.375 1.651 20 30 BDEDLP C#C[C@@H](C)[N@H+](C)Cc1c(C)cc[nH+]c1N ZINC000894574521 583486354 /nfs/dbraw/zinc/48/63/54/583486354.db2.gz VERORGNHJWUFCC-SNVBAGLBSA-N 2 2 203.289 1.426 20 30 BDEDLP C#C[C@@H](C)[N@@H+](C)Cc1c(C)cc[nH+]c1N ZINC000894574521 583486355 /nfs/dbraw/zinc/48/63/55/583486355.db2.gz VERORGNHJWUFCC-SNVBAGLBSA-N 2 2 203.289 1.426 20 30 BDEDLP CSCCO[NH+]=C(C)c1c[nH]c(N)[nH+]1 ZINC000901234972 584404669 /nfs/dbraw/zinc/40/46/69/584404669.db2.gz BUXYRQNNXWBACK-UHFFFAOYSA-N 2 2 214.294 1.096 20 30 BDEDLP CC[C@@H](C)CO[NH+]=C(C)c1c[nH]c(N)[nH+]1 ZINC000901246043 584408310 /nfs/dbraw/zinc/40/83/10/584408310.db2.gz KRRMFBDCVWTIML-SSDOTTSWSA-N 2 2 210.281 1.779 20 30 BDEDLP CC(=[NH+]OCCOC(C)C)c1c[nH]c(N)[nH+]1 ZINC000901247168 584408857 /nfs/dbraw/zinc/40/88/57/584408857.db2.gz YNFVCBJVWOHJFY-UHFFFAOYSA-N 2 2 226.280 1.158 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902468997 584615443 /nfs/dbraw/zinc/61/54/43/584615443.db2.gz NJGMFHIAXXGRLB-JZRPKSSGSA-N 2 2 219.332 1.551 20 30 BDEDLP C[C@@H](C#N)OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000801926567 584653491 /nfs/dbraw/zinc/65/34/91/584653491.db2.gz SRWXNASXACSFOS-NSHDSACASA-N 2 2 248.330 1.518 20 30 BDEDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(C#N)ccn1 ZINC000902724743 584661039 /nfs/dbraw/zinc/66/10/39/584661039.db2.gz ICCCMYGDVXQIBQ-NSHDSACASA-N 2 2 241.298 1.501 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000903474469 584776737 /nfs/dbraw/zinc/77/67/37/584776737.db2.gz NHMYPXFERYZCQX-GFCCVEGCSA-N 2 2 231.343 1.954 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000903474469 584776739 /nfs/dbraw/zinc/77/67/39/584776739.db2.gz NHMYPXFERYZCQX-GFCCVEGCSA-N 2 2 231.343 1.954 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000903964901 584834512 /nfs/dbraw/zinc/83/45/12/584834512.db2.gz UBADDCZEFHYYQO-ZWNOBZJWSA-N 2 2 215.300 1.256 20 30 BDEDLP CC(=[NH+]NC1=[NH+]C[C@@H](C)N1)c1ccc(N)cc1C ZINC000779794737 585764378 /nfs/dbraw/zinc/76/43/78/585764378.db2.gz MKNMDFNODBFKPX-SECBINFHSA-N 2 2 245.330 1.239 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817903890 586836841 /nfs/dbraw/zinc/83/68/41/586836841.db2.gz NQVWDYYZHHQCFG-QMMMGPOBSA-N 2 2 211.696 1.897 20 30 BDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000817944662 586846088 /nfs/dbraw/zinc/84/60/88/586846088.db2.gz JCAKIMUYOYUTBD-OCCSQVGLSA-N 2 2 244.338 1.711 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1C(C)C)[C@@H]1CCCO1 ZINC000818203933 586879219 /nfs/dbraw/zinc/87/92/19/586879219.db2.gz NHBVWVLUYDXRRN-KBPBESRZSA-N 2 2 247.342 1.734 20 30 BDEDLP C#CC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000860026800 589076188 /nfs/dbraw/zinc/07/61/88/589076188.db2.gz QQZFAWJKMFWWAJ-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000823812280 587241350 /nfs/dbraw/zinc/24/13/50/587241350.db2.gz HSEFCOLPPBHFJB-OTTFEQOBSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000823812280 587241351 /nfs/dbraw/zinc/24/13/51/587241351.db2.gz HSEFCOLPPBHFJB-OTTFEQOBSA-N 2 2 221.348 1.753 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000847021731 588302663 /nfs/dbraw/zinc/30/26/63/588302663.db2.gz OGNLROKGDJHGSM-GFCCVEGCSA-N 2 2 203.289 1.228 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000847021731 588302664 /nfs/dbraw/zinc/30/26/64/588302664.db2.gz OGNLROKGDJHGSM-GFCCVEGCSA-N 2 2 203.289 1.228 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000851845736 588634772 /nfs/dbraw/zinc/63/47/72/588634772.db2.gz MTDXYCTYRLBEHL-LBPRGKRZSA-N 2 2 233.315 1.239 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000851845736 588634773 /nfs/dbraw/zinc/63/47/73/588634773.db2.gz MTDXYCTYRLBEHL-LBPRGKRZSA-N 2 2 233.315 1.239 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000852750394 588700136 /nfs/dbraw/zinc/70/01/36/588700136.db2.gz SYVXJRZELZQKRB-UJNFCWOMSA-N 2 2 202.729 1.715 20 30 BDEDLP C#CC[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000862447772 589215242 /nfs/dbraw/zinc/21/52/42/589215242.db2.gz QOZMXCUJGVSYQP-LBPRGKRZSA-N 2 2 229.327 1.675 20 30 BDEDLP C#CC[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000862447772 589215243 /nfs/dbraw/zinc/21/52/43/589215243.db2.gz QOZMXCUJGVSYQP-LBPRGKRZSA-N 2 2 229.327 1.675 20 30 BDEDLP C#C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123085314 589661083 /nfs/dbraw/zinc/66/10/83/589661083.db2.gz CAFDLOPGNGLWEV-GFCCVEGCSA-N 2 2 225.295 1.984 20 30 BDEDLP C=C(Cl)C[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000871788849 589819386 /nfs/dbraw/zinc/81/93/86/589819386.db2.gz OFIXHESHQCHIAR-SSDOTTSWSA-N 2 2 242.710 1.550 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OCC1CC1 ZINC000872378405 589926742 /nfs/dbraw/zinc/92/67/42/589926742.db2.gz HSXGBDMWVSAZCQ-UHFFFAOYSA-N 2 2 205.261 1.733 20 30 BDEDLP [NH2+]=C(NCCn1cc[nH+]c1)N1CCCCCC1 ZINC000125890671 590196508 /nfs/dbraw/zinc/19/65/08/590196508.db2.gz PQUOENDVKZLJLM-UHFFFAOYSA-N 2 2 235.335 1.074 20 30 BDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000876755343 590238670 /nfs/dbraw/zinc/23/86/70/590238670.db2.gz XVCXWGQYZHIHEK-VIFPVBQESA-N 2 2 239.706 1.220 20 30 BDEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000877020068 590270072 /nfs/dbraw/zinc/27/00/72/590270072.db2.gz XBDLLKDOFVHKCK-CYBMUJFWSA-N 2 2 208.349 1.864 20 30 BDEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000877020068 590270074 /nfs/dbraw/zinc/27/00/74/590270074.db2.gz XBDLLKDOFVHKCK-CYBMUJFWSA-N 2 2 208.349 1.864 20 30 BDEDLP COCC#CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474008 591054123 /nfs/dbraw/zinc/05/41/23/591054123.db2.gz UDKAZXAUOXJLPP-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000883131250 591546348 /nfs/dbraw/zinc/54/63/48/591546348.db2.gz RIPSCZGRQLFSKZ-UHFFFAOYSA-N 2 2 246.358 1.263 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000883131250 591546350 /nfs/dbraw/zinc/54/63/50/591546350.db2.gz RIPSCZGRQLFSKZ-UHFFFAOYSA-N 2 2 246.358 1.263 20 30 BDEDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000883441299 591668749 /nfs/dbraw/zinc/66/87/49/591668749.db2.gz LKFZSSKPNKPMCF-QWRGUYRKSA-N 2 2 219.288 1.367 20 30 BDEDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235516054 632043409 /nfs/dbraw/zinc/04/34/09/632043409.db2.gz CXKGNNBBRVMBRQ-SMDDNHRTSA-N 2 2 229.327 1.961 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924983582 635824637 /nfs/dbraw/zinc/82/46/37/635824637.db2.gz GXFBHVMSUKETJC-GFCCVEGCSA-N 2 2 240.391 1.633 20 30 BDEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309784512 634007559 /nfs/dbraw/zinc/00/75/59/634007559.db2.gz NQPOSGFZKVNJPL-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309784512 634007568 /nfs/dbraw/zinc/00/75/68/634007568.db2.gz NQPOSGFZKVNJPL-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](C#N)OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000801925757 644845633 /nfs/dbraw/zinc/84/56/33/644845633.db2.gz JBSAISJMEWNIJR-LBPRGKRZSA-N 2 2 248.330 1.449 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779741 646307284 /nfs/dbraw/zinc/30/72/84/646307284.db2.gz IISMKSXGLPIBMF-JHJVBQTASA-N 2 2 239.363 1.066 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779741 646307288 /nfs/dbraw/zinc/30/72/88/646307288.db2.gz IISMKSXGLPIBMF-JHJVBQTASA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779741 646307290 /nfs/dbraw/zinc/30/72/90/646307290.db2.gz IISMKSXGLPIBMF-JHJVBQTASA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779741 646307293 /nfs/dbraw/zinc/30/72/93/646307293.db2.gz IISMKSXGLPIBMF-JHJVBQTASA-N 2 2 239.363 1.066 20 30 BDEDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000925702878 646427818 /nfs/dbraw/zinc/42/78/18/646427818.db2.gz FQUXTIDYHDGQHF-IUODEOHRSA-N 2 2 243.354 1.983 20 30 BDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925714930 646439484 /nfs/dbraw/zinc/43/94/84/646439484.db2.gz ZNALZHMEHYXJCS-HZSPNIEDSA-N 2 2 238.375 1.699 20 30 BDEDLP C=CCOCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926116701 646577209 /nfs/dbraw/zinc/57/72/09/646577209.db2.gz SWPQLFCIXLLFQF-KBPBESRZSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCOCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926116701 646577211 /nfs/dbraw/zinc/57/72/11/646577211.db2.gz SWPQLFCIXLLFQF-KBPBESRZSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926116702 646577494 /nfs/dbraw/zinc/57/74/94/646577494.db2.gz SWPQLFCIXLLFQF-KGLIPLIRSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926116702 646577499 /nfs/dbraw/zinc/57/74/99/646577499.db2.gz SWPQLFCIXLLFQF-KGLIPLIRSA-N 2 2 238.375 1.796 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnnc1 ZINC000926491591 646661035 /nfs/dbraw/zinc/66/10/35/646661035.db2.gz XXALYNMLCWNORC-LBPRGKRZSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccnnc1 ZINC000926491591 646661037 /nfs/dbraw/zinc/66/10/37/646661037.db2.gz XXALYNMLCWNORC-LBPRGKRZSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840302 711153790 /nfs/dbraw/zinc/15/37/90/711153790.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840302 711153795 /nfs/dbraw/zinc/15/37/95/711153795.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392840302 711153800 /nfs/dbraw/zinc/15/38/00/711153800.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392840302 711153802 /nfs/dbraw/zinc/15/38/02/711153802.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnn1C(C)C ZINC000394529657 711193420 /nfs/dbraw/zinc/19/34/20/711193420.db2.gz WNMOTQOVKACYQC-UHFFFAOYSA-N 2 2 248.374 1.509 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnn1C(C)C ZINC000394529657 711193424 /nfs/dbraw/zinc/19/34/24/711193424.db2.gz WNMOTQOVKACYQC-UHFFFAOYSA-N 2 2 248.374 1.509 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396614522 711361187 /nfs/dbraw/zinc/36/11/87/711361187.db2.gz FTSIZKCQPAZSNG-NEPJUHHUSA-N 2 2 212.337 1.309 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396614527 711356733 /nfs/dbraw/zinc/35/67/33/711356733.db2.gz FTSIZKCQPAZSNG-VXGBXAGGSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396656318 711363048 /nfs/dbraw/zinc/36/30/48/711363048.db2.gz MQCGRPQHZVMYOX-GHMZBOCLSA-N 2 2 214.378 1.636 20 30 BDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000710007035 712239488 /nfs/dbraw/zinc/23/94/88/712239488.db2.gz ACXVVZFBABZGTK-NWDGAFQWSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000710007035 712239491 /nfs/dbraw/zinc/23/94/91/712239491.db2.gz ACXVVZFBABZGTK-NWDGAFQWSA-N 2 2 223.364 1.999 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000884612428 712647798 /nfs/dbraw/zinc/64/77/98/712647798.db2.gz LFGIHPZYRJXRIP-ZDUSSCGKSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000884612428 712647799 /nfs/dbraw/zinc/64/77/99/712647799.db2.gz LFGIHPZYRJXRIP-ZDUSSCGKSA-N 2 2 229.327 1.900 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204790458 963575674 /nfs/dbraw/zinc/57/56/74/963575674.db2.gz JMUBLDUDRDRPFI-AWEZNQCLSA-N 2 2 214.312 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204790458 963575677 /nfs/dbraw/zinc/57/56/77/963575677.db2.gz JMUBLDUDRDRPFI-AWEZNQCLSA-N 2 2 214.312 1.591 20 30 BDEDLP C=CCCCCCCC[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204953597 967255186 /nfs/dbraw/zinc/25/51/86/967255186.db2.gz BLLKUDABPJDYGS-UONOGXRCSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001252602335 968860536 /nfs/dbraw/zinc/86/05/36/968860536.db2.gz QGDKLIISRNOVMH-HZSPNIEDSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001252602335 968860538 /nfs/dbraw/zinc/86/05/38/968860538.db2.gz QGDKLIISRNOVMH-HZSPNIEDSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252602335 968860541 /nfs/dbraw/zinc/86/05/41/968860541.db2.gz QGDKLIISRNOVMH-HZSPNIEDSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252602335 968860546 /nfs/dbraw/zinc/86/05/46/968860546.db2.gz QGDKLIISRNOVMH-HZSPNIEDSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522239 969710542 /nfs/dbraw/zinc/71/05/42/969710542.db2.gz FJJUEIFTCCTVAL-CQSZACIVSA-N 2 2 237.391 1.274 20 30 BDEDLP C=CCN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522239 969710550 /nfs/dbraw/zinc/71/05/50/969710550.db2.gz FJJUEIFTCCTVAL-CQSZACIVSA-N 2 2 237.391 1.274 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235947009 979213673 /nfs/dbraw/zinc/21/36/73/979213673.db2.gz UOBQESZHTAQNKV-RYUDHWBXSA-N 2 2 222.332 1.056 20 30 BDEDLP C#C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235947009 979213680 /nfs/dbraw/zinc/21/36/80/979213680.db2.gz UOBQESZHTAQNKV-RYUDHWBXSA-N 2 2 222.332 1.056 20 30 BDEDLP C#Cc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001236899404 979786097 /nfs/dbraw/zinc/78/60/97/979786097.db2.gz HXQQAHKWCMSNFH-NSHDSACASA-N 2 2 202.301 1.447 20 30 BDEDLP C#Cc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001236899404 979786101 /nfs/dbraw/zinc/78/61/01/979786101.db2.gz HXQQAHKWCMSNFH-NSHDSACASA-N 2 2 202.301 1.447 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[NH2+]1 ZINC001246091880 972145688 /nfs/dbraw/zinc/14/56/88/972145688.db2.gz LSXGHSFOOUBNBW-MNOVXSKESA-N 2 2 207.321 1.410 20 30 BDEDLP C=C(C[NH+](C)C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001167598741 959015561 /nfs/dbraw/zinc/01/55/61/959015561.db2.gz WIGDPVLNWRPRAG-UHFFFAOYSA-N 2 2 244.298 1.391 20 30 BDEDLP N#CCC1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140800145 960587956 /nfs/dbraw/zinc/58/79/56/960587956.db2.gz WQSXVPQKXHHDNI-UHFFFAOYSA-N 2 2 226.283 1.908 20 30 BDEDLP C#CC[NH+](CC#C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806144 960601856 /nfs/dbraw/zinc/60/18/56/960601856.db2.gz WVIYEWJJGSYVOD-UHFFFAOYSA-N 2 2 223.279 1.631 20 30 BDEDLP N#Cc1cc[nH]c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632692 962140467 /nfs/dbraw/zinc/14/04/67/962140467.db2.gz NTPHFOUFDKSCHR-LLVKDONJSA-N 2 2 232.331 1.447 20 30 BDEDLP N#Cc1cc[nH]c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632692 962140481 /nfs/dbraw/zinc/14/04/81/962140481.db2.gz NTPHFOUFDKSCHR-LLVKDONJSA-N 2 2 232.331 1.447 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000924984019 962812299 /nfs/dbraw/zinc/81/22/99/962812299.db2.gz LUESODFFUYTCES-MBNYWOFBSA-N 2 2 238.375 1.650 20 30 BDEDLP N#CCc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162391930 964952540 /nfs/dbraw/zinc/95/25/40/964952540.db2.gz OPORWEXJFHTNAV-NWDGAFQWSA-N 2 2 230.315 1.829 20 30 BDEDLP CC[C@H](C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715499153 966921296 /nfs/dbraw/zinc/92/12/96/966921296.db2.gz DNACMEFPFZHZEQ-VOMCLLRMSA-N 2 2 209.337 1.751 20 30 BDEDLP C=CCCCCCCC[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204953597 967255175 /nfs/dbraw/zinc/25/51/75/967255175.db2.gz BLLKUDABPJDYGS-UONOGXRCSA-N 2 2 240.391 1.907 20 30 BDEDLP N#Cc1cncc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109532 967350812 /nfs/dbraw/zinc/35/08/12/967350812.db2.gz HTPHFTMZDKRUSN-ZDUSSCGKSA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1cncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109532 967350822 /nfs/dbraw/zinc/35/08/22/967350822.db2.gz HTPHFTMZDKRUSN-ZDUSSCGKSA-N 2 2 230.315 1.266 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001252614315 968872546 /nfs/dbraw/zinc/87/25/46/968872546.db2.gz HZEWUPZKFXOEJJ-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001252624369 968885496 /nfs/dbraw/zinc/88/54/96/968885496.db2.gz DFKCCGKRDMWIMM-CYBMUJFWSA-N 2 2 245.326 1.751 20 30 BDEDLP C=C[C@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001253600509 969293655 /nfs/dbraw/zinc/29/36/55/969293655.db2.gz BIXHUSBEPVHZSQ-JTQLQIEISA-N 2 2 241.360 1.088 20 30 BDEDLP N#CCCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254838801 969798730 /nfs/dbraw/zinc/79/87/30/969798730.db2.gz HTVFKURKROESLT-CYBMUJFWSA-N 2 2 221.348 1.754 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172294689 974565325 /nfs/dbraw/zinc/56/53/25/974565325.db2.gz KFAOYZPREDRXPQ-DOMZBBRYSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172294689 974565334 /nfs/dbraw/zinc/56/53/34/974565334.db2.gz KFAOYZPREDRXPQ-DOMZBBRYSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]CCn1cc[nH+]c1 ZINC001172475856 974773163 /nfs/dbraw/zinc/77/31/63/974773163.db2.gz DDGJRJJBLFMTOS-LLVKDONJSA-N 2 2 206.293 1.555 20 30 BDEDLP CC(C)(C[NH2+]C[C@H](C#N)CCC#N)n1cc[nH+]c1 ZINC001336051380 977462571 /nfs/dbraw/zinc/46/25/71/977462571.db2.gz PLAWAAHFGPBCCN-LBPRGKRZSA-N 2 2 245.330 1.651 20 30 BDEDLP C[N@@H+]1CCC2(C[NH+](CCCCC#N)C2)C1 ZINC001277949166 979056616 /nfs/dbraw/zinc/05/66/16/979056616.db2.gz TVQVASMAZAUFSO-UHFFFAOYSA-N 2 2 207.321 1.318 20 30 BDEDLP C[N@H+]1CCC2(C[NH+](CCCCC#N)C2)C1 ZINC001277949166 979056620 /nfs/dbraw/zinc/05/66/20/979056620.db2.gz TVQVASMAZAUFSO-UHFFFAOYSA-N 2 2 207.321 1.318 20 30 BDEDLP C#C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001353297160 982823944 /nfs/dbraw/zinc/82/39/44/982823944.db2.gz DCCJFMXBBQFYHU-DZGCQCFKSA-N 2 2 246.354 1.091 20 30 BDEDLP C#C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001353297160 982823945 /nfs/dbraw/zinc/82/39/45/982823945.db2.gz DCCJFMXBBQFYHU-DZGCQCFKSA-N 2 2 246.354 1.091 20 30 BDEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C[NH+](C)C ZINC001356594756 983634775 /nfs/dbraw/zinc/63/47/75/983634775.db2.gz GAONXUSCLCTHCG-RYUDHWBXSA-N 2 2 222.336 1.217 20 30 BDEDLP C=C[C@@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001253571753 986091417 /nfs/dbraw/zinc/09/14/17/986091417.db2.gz JDPKJSFTTRFXPL-GFCCVEGCSA-N 2 2 248.326 1.472 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246035476 987335512 /nfs/dbraw/zinc/33/55/12/987335512.db2.gz SDZZPBKSADWMHD-KBPBESRZSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246035476 987335520 /nfs/dbraw/zinc/33/55/20/987335520.db2.gz SDZZPBKSADWMHD-KBPBESRZSA-N 2 2 238.375 1.532 20 30 BDEDLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[NH2+]C1 ZINC001246116231 987459814 /nfs/dbraw/zinc/45/98/14/987459814.db2.gz WFOFQZYNIAEHNV-MROQNXINSA-N 2 2 221.348 1.656 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246265690 987659063 /nfs/dbraw/zinc/65/90/63/987659063.db2.gz PWGDPPYKFRYUAV-IUODEOHRSA-N 2 2 228.339 1.898 20 30 BDEDLP N#CCCC[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC001118237850 988137936 /nfs/dbraw/zinc/13/79/36/988137936.db2.gz NCUYSPUHLYCROS-QMMMGPOBSA-N 2 2 235.291 1.101 20 30 BDEDLP N#CCC[N@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC001246767948 988457281 /nfs/dbraw/zinc/45/72/81/988457281.db2.gz DRXRJEUQZZEOQJ-UHFFFAOYSA-N 2 2 221.348 1.897 20 30 BDEDLP N#CCC[N@@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC001246767948 988457289 /nfs/dbraw/zinc/45/72/89/988457289.db2.gz DRXRJEUQZZEOQJ-UHFFFAOYSA-N 2 2 221.348 1.897 20 30 BDEDLP C[C@H]1CC[C@H]([NH+]2CCC(CC#N)CC2)C[NH2+]1 ZINC001246800612 988478827 /nfs/dbraw/zinc/47/88/27/988478827.db2.gz FYIBGLDSTCRPIC-AAEUAGOBSA-N 2 2 221.348 1.753 20 30 BDEDLP N#CCCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC001326717100 989663819 /nfs/dbraw/zinc/66/38/19/989663819.db2.gz MZOFVKDIHYMIAJ-SECBINFHSA-N 2 2 249.318 1.491 20 30 BDEDLP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120574090 989742473 /nfs/dbraw/zinc/74/24/73/989742473.db2.gz KASZXHLELPQWBN-STQMWFEESA-N 2 2 234.347 1.361 20 30 BDEDLP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120574090 989742495 /nfs/dbraw/zinc/74/24/95/989742495.db2.gz KASZXHLELPQWBN-STQMWFEESA-N 2 2 234.347 1.361 20 30 BDEDLP C[C@]1(C#N)CC[N@H+](CCC2([NH3+])CCOCC2)C1 ZINC001576330641 993261505 /nfs/dbraw/zinc/26/15/05/993261505.db2.gz PSPHGSOJVXDPHO-GFCCVEGCSA-N 2 2 237.347 1.120 20 30 BDEDLP C[C@]1(C#N)CC[N@@H+](CCC2([NH3+])CCOCC2)C1 ZINC001576330641 993261520 /nfs/dbraw/zinc/26/15/20/993261520.db2.gz PSPHGSOJVXDPHO-GFCCVEGCSA-N 2 2 237.347 1.120 20 30 BDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1[NH3+] ZINC001576806832 993428869 /nfs/dbraw/zinc/42/88/69/993428869.db2.gz JUGLFNIAEIVIJK-GXFFZTMASA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@H]1[NH3+] ZINC001576806832 993428872 /nfs/dbraw/zinc/42/88/72/993428872.db2.gz JUGLFNIAEIVIJK-GXFFZTMASA-N 2 2 230.315 1.122 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335180669 343979524 /nfs/dbraw/zinc/97/95/24/343979524.db2.gz NVECKPXERQIFQA-DZGCQCFKSA-N 2 2 241.338 1.887 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000649382798 398191244 /nfs/dbraw/zinc/19/12/44/398191244.db2.gz RRIYUSXBQQHDTH-RYUDHWBXSA-N 2 2 235.331 1.526 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000649382798 398191248 /nfs/dbraw/zinc/19/12/48/398191248.db2.gz RRIYUSXBQQHDTH-RYUDHWBXSA-N 2 2 235.331 1.526 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncn2C)CC1 ZINC000106245042 398326828 /nfs/dbraw/zinc/32/68/28/398326828.db2.gz RTICYSWBNCZPRG-UHFFFAOYSA-N 2 2 248.374 1.550 20 30 BDEDLP C[C@H](C#N)C[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000602802853 349742961 /nfs/dbraw/zinc/74/29/61/349742961.db2.gz WKWRJIAIQYHEHL-LLVKDONJSA-N 2 2 232.331 1.587 20 30 BDEDLP C[C@H](C#N)C[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000602802853 349742964 /nfs/dbraw/zinc/74/29/64/349742964.db2.gz WKWRJIAIQYHEHL-LLVKDONJSA-N 2 2 232.331 1.587 20 30 BDEDLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C#N)c1 ZINC000235480250 343039644 /nfs/dbraw/zinc/03/96/44/343039644.db2.gz IFBCCFFLVRXPAK-SNVBAGLBSA-N 2 2 203.289 1.337 20 30 BDEDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C#N)c1 ZINC000235480250 343039645 /nfs/dbraw/zinc/03/96/45/343039645.db2.gz IFBCCFFLVRXPAK-SNVBAGLBSA-N 2 2 203.289 1.337 20 30 BDEDLP C[N@H+]1CC=C(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329399810 136365374 /nfs/dbraw/zinc/36/53/74/136365374.db2.gz XNACPNVKKDCYNM-UHFFFAOYSA-N 2 2 248.330 1.561 20 30 BDEDLP C[N@@H+]1CC=C(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329399810 136365375 /nfs/dbraw/zinc/36/53/75/136365375.db2.gz XNACPNVKKDCYNM-UHFFFAOYSA-N 2 2 248.330 1.561 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158065845 344368838 /nfs/dbraw/zinc/36/88/38/344368838.db2.gz QJBDQBDFQQZUEC-WDEREUQCSA-N 2 2 214.740 1.955 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158065845 344368839 /nfs/dbraw/zinc/36/88/39/344368839.db2.gz QJBDQBDFQQZUEC-WDEREUQCSA-N 2 2 214.740 1.955 20 30 BDEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309471685 347071423 /nfs/dbraw/zinc/07/14/23/347071423.db2.gz RDNRETXPCLBUSW-AGIUHOORSA-N 2 2 221.348 1.610 20 30 BDEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309471685 347071427 /nfs/dbraw/zinc/07/14/27/347071427.db2.gz RDNRETXPCLBUSW-AGIUHOORSA-N 2 2 221.348 1.610 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000628212223 345854134 /nfs/dbraw/zinc/85/41/34/345854134.db2.gz XMWDRFVONBGEOF-UHFFFAOYSA-N 2 2 235.331 1.723 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000309568906 347106445 /nfs/dbraw/zinc/10/64/45/347106445.db2.gz MBIRVKQEDWDIIN-IJLUTSLNSA-N 2 2 219.332 1.505 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000309568906 347106448 /nfs/dbraw/zinc/10/64/48/347106448.db2.gz MBIRVKQEDWDIIN-IJLUTSLNSA-N 2 2 219.332 1.505 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309892514 347194040 /nfs/dbraw/zinc/19/40/40/347194040.db2.gz DEZMSMNBJRGGEM-RYUDHWBXSA-N 2 2 223.364 1.999 20 30 BDEDLP N#CCC[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000591733920 347694293 /nfs/dbraw/zinc/69/42/93/347694293.db2.gz LRJRNRSXMYDBNP-UHFFFAOYSA-N 2 2 237.347 1.135 20 30 BDEDLP CC[C@@H]1C[N@H+](Cc2ccncc2C#N)CC[C@@H]1[NH3+] ZINC000592489150 347787170 /nfs/dbraw/zinc/78/71/70/347787170.db2.gz RMNRJISTOVRLPT-RISCZKNCSA-N 2 2 244.342 1.512 20 30 BDEDLP CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1[NH3+] ZINC000592489150 347787173 /nfs/dbraw/zinc/78/71/73/347787173.db2.gz RMNRJISTOVRLPT-RISCZKNCSA-N 2 2 244.342 1.512 20 30 BDEDLP N#Cc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000592495288 347788130 /nfs/dbraw/zinc/78/81/30/347788130.db2.gz RFNRGNLEQYBTJR-CHWSQXEVSA-N 2 2 230.315 1.313 20 30 BDEDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592478240 347791221 /nfs/dbraw/zinc/79/12/21/347791221.db2.gz PJDBWGBDFJRTRD-MNOVXSKESA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592478240 347791224 /nfs/dbraw/zinc/79/12/24/347791224.db2.gz PJDBWGBDFJRTRD-MNOVXSKESA-N 2 2 230.315 1.122 20 30 BDEDLP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000594590816 348079324 /nfs/dbraw/zinc/07/93/24/348079324.db2.gz CPLBWABRIMSDGL-BJHJDKERSA-N 2 2 244.342 1.436 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCCC1 ZINC000596652927 348607106 /nfs/dbraw/zinc/60/71/06/348607106.db2.gz REXCUQRVDHKOFC-NWDGAFQWSA-N 2 2 221.348 1.930 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000536068175 323195751 /nfs/dbraw/zinc/19/57/51/323195751.db2.gz UWLNFMYROMBSPE-LLVKDONJSA-N 2 2 218.304 1.513 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC#N)C1 ZINC000536068175 323195752 /nfs/dbraw/zinc/19/57/52/323195752.db2.gz UWLNFMYROMBSPE-LLVKDONJSA-N 2 2 218.304 1.513 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000598683980 349015816 /nfs/dbraw/zinc/01/58/16/349015816.db2.gz UYYIBNIYVNRRDG-HUUCEWRRSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000598683980 349015819 /nfs/dbraw/zinc/01/58/19/349015819.db2.gz UYYIBNIYVNRRDG-HUUCEWRRSA-N 2 2 241.338 1.871 20 30 BDEDLP C=C(C)C[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336675776 350437067 /nfs/dbraw/zinc/43/70/67/350437067.db2.gz VHQPIDQHYBDJTD-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C(C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336675776 350437072 /nfs/dbraw/zinc/43/70/72/350437072.db2.gz VHQPIDQHYBDJTD-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336675776 350437076 /nfs/dbraw/zinc/43/70/76/350437076.db2.gz VHQPIDQHYBDJTD-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336675776 350437079 /nfs/dbraw/zinc/43/70/79/350437079.db2.gz VHQPIDQHYBDJTD-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336742584 350491981 /nfs/dbraw/zinc/49/19/81/350491981.db2.gz XCXCIPFKKZVKJK-GRYCIOLGSA-N 2 2 209.337 1.608 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397794641 350973645 /nfs/dbraw/zinc/97/36/45/350973645.db2.gz QRWFGCJYPFCJGF-ZDUSSCGKSA-N 2 2 246.358 1.978 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397794641 350973648 /nfs/dbraw/zinc/97/36/48/350973648.db2.gz QRWFGCJYPFCJGF-ZDUSSCGKSA-N 2 2 246.358 1.978 20 30 BDEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])N(C)C1CC1 ZINC000273334586 351518459 /nfs/dbraw/zinc/51/84/59/351518459.db2.gz KUMSZMCMSSAYQJ-UHFFFAOYSA-N 2 2 232.331 1.341 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340230489 352091428 /nfs/dbraw/zinc/09/14/28/352091428.db2.gz HEIBHPZGPLWYNZ-ZDUSSCGKSA-N 2 2 238.375 1.794 20 30 BDEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336761768 353175860 /nfs/dbraw/zinc/17/58/60/353175860.db2.gz KUHMEJDJSJMMTR-RWMBFGLXSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336761768 353175862 /nfs/dbraw/zinc/17/58/62/353175862.db2.gz KUHMEJDJSJMMTR-RWMBFGLXSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336774355 353422023 /nfs/dbraw/zinc/42/20/23/353422023.db2.gz ZRUSZXIRGDHWCF-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C#N)c[nH+]1 ZINC000399003499 353551454 /nfs/dbraw/zinc/55/14/54/353551454.db2.gz UZJPOCGJOJRBPH-DRZSPHRISA-N 2 2 242.326 1.435 20 30 BDEDLP C=CCNC(=O)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290362835 353661300 /nfs/dbraw/zinc/66/13/00/353661300.db2.gz MWVAITQFYBGMJZ-UHFFFAOYSA-N 2 2 247.342 1.214 20 30 BDEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826387 181060870 /nfs/dbraw/zinc/06/08/70/181060870.db2.gz AENHRPHNKRQHEE-WDEREUQCSA-N 2 2 204.277 1.165 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043327120 181138426 /nfs/dbraw/zinc/13/84/26/181138426.db2.gz NKAXXMJWLIFNFQ-ZDUSSCGKSA-N 2 2 215.300 1.400 20 30 BDEDLP C[N@H+](CC1(C#N)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335202650 355036713 /nfs/dbraw/zinc/03/67/13/355036713.db2.gz HYPJVEBXHMLTJI-FUNVUKJBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+](CC1(C#N)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335202650 355036715 /nfs/dbraw/zinc/03/67/15/355036715.db2.gz HYPJVEBXHMLTJI-FUNVUKJBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+](CC1(C#N)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335202650 355036719 /nfs/dbraw/zinc/03/67/19/355036719.db2.gz HYPJVEBXHMLTJI-FUNVUKJBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+](CC1(C#N)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335202650 355036723 /nfs/dbraw/zinc/03/67/23/355036723.db2.gz HYPJVEBXHMLTJI-FUNVUKJBSA-N 2 2 233.359 1.847 20 30 BDEDLP C=C(C)COCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386145318 356687864 /nfs/dbraw/zinc/68/78/64/356687864.db2.gz RCOLSGLWUAKOCB-CHWSQXEVSA-N 2 2 226.364 1.699 20 30 BDEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759642 356878422 /nfs/dbraw/zinc/87/84/22/356878422.db2.gz UKPKCRFRSHBJSK-MGPQQGTHSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759642 356878425 /nfs/dbraw/zinc/87/84/25/356878425.db2.gz UKPKCRFRSHBJSK-MGPQQGTHSA-N 2 2 238.375 1.387 20 30 BDEDLP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)[N@H+](C)C1CC1 ZINC000582660649 357357103 /nfs/dbraw/zinc/35/71/03/357357103.db2.gz LDLIGPFDCCXJER-NEPJUHHUSA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)[N@@H+](C)C1CC1 ZINC000582660649 357357108 /nfs/dbraw/zinc/35/71/08/357357108.db2.gz LDLIGPFDCCXJER-NEPJUHHUSA-N 2 2 234.347 1.502 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000126832987 358556756 /nfs/dbraw/zinc/55/67/56/358556756.db2.gz UBLJQAVLXMHJTG-STQMWFEESA-N 2 2 225.380 1.177 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000126832987 358556758 /nfs/dbraw/zinc/55/67/58/358556758.db2.gz UBLJQAVLXMHJTG-STQMWFEESA-N 2 2 225.380 1.177 20 30 BDEDLP CC[N@H+](CCCn1cc[nH+]c1)C[C@H](C)C#N ZINC000042449807 358523192 /nfs/dbraw/zinc/52/31/92/358523192.db2.gz VHKHZMJSIOYXDC-GFCCVEGCSA-N 2 2 220.320 1.755 20 30 BDEDLP CC[N@@H+](CCCn1cc[nH+]c1)C[C@H](C)C#N ZINC000042449807 358523195 /nfs/dbraw/zinc/52/31/95/358523195.db2.gz VHKHZMJSIOYXDC-GFCCVEGCSA-N 2 2 220.320 1.755 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1C)C[C@H](C)C#N ZINC000042449811 358523324 /nfs/dbraw/zinc/52/33/24/358523324.db2.gz ZHRNTWCORXACEZ-LLVKDONJSA-N 2 2 220.320 1.673 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1C)C[C@H](C)C#N ZINC000042449811 358523327 /nfs/dbraw/zinc/52/33/27/358523327.db2.gz ZHRNTWCORXACEZ-LLVKDONJSA-N 2 2 220.320 1.673 20 30 BDEDLP C=C(C)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129268207 358585279 /nfs/dbraw/zinc/58/52/79/358585279.db2.gz JRZBWAZUOKEVFO-CYBMUJFWSA-N 2 2 224.348 1.217 20 30 BDEDLP C=C(C)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129268207 358585280 /nfs/dbraw/zinc/58/52/80/358585280.db2.gz JRZBWAZUOKEVFO-CYBMUJFWSA-N 2 2 224.348 1.217 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)C2CC2)CC1 ZINC000177914364 134301817 /nfs/dbraw/zinc/30/18/17/134301817.db2.gz CSVZZBSQIMWORA-CQSZACIVSA-N 2 2 238.375 1.651 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000430031884 201137955 /nfs/dbraw/zinc/13/79/55/201137955.db2.gz AFUKYXJQOWYPOU-NWDGAFQWSA-N 2 2 233.359 1.895 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1C1CC1 ZINC000430031884 201137957 /nfs/dbraw/zinc/13/79/57/201137957.db2.gz AFUKYXJQOWYPOU-NWDGAFQWSA-N 2 2 233.359 1.895 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnccn1 ZINC000294886220 364778723 /nfs/dbraw/zinc/77/87/23/364778723.db2.gz DQOGBGDQBOYAPG-GFCCVEGCSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnccn1 ZINC000294886220 364778729 /nfs/dbraw/zinc/77/87/29/364778729.db2.gz DQOGBGDQBOYAPG-GFCCVEGCSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nccs1 ZINC000295070492 364779383 /nfs/dbraw/zinc/77/93/83/364779383.db2.gz RZWRCZTTXMDTIF-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nccs1 ZINC000295070492 364779386 /nfs/dbraw/zinc/77/93/86/364779386.db2.gz RZWRCZTTXMDTIF-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000258833597 370854672 /nfs/dbraw/zinc/85/46/72/370854672.db2.gz PSSSARQFFKKLSU-WXRRBKDZSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000258833597 370854677 /nfs/dbraw/zinc/85/46/77/370854677.db2.gz PSSSARQFFKKLSU-WXRRBKDZSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CCCOCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386077837 367909389 /nfs/dbraw/zinc/90/93/89/367909389.db2.gz GKAFDJFMUMQVNM-QWHCGFSZSA-N 2 2 226.364 1.699 20 30 BDEDLP CNC(NCCCCNc1cccc[nH+]1)=[NH+]C ZINC000066246667 368642723 /nfs/dbraw/zinc/64/27/23/368642723.db2.gz ROTSYYWQCGRIJM-UHFFFAOYSA-N 2 2 235.335 1.069 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000619672781 369521472 /nfs/dbraw/zinc/52/14/72/369521472.db2.gz ZQJQJAOFMJAOMP-MCIONIFRSA-N 2 2 233.359 1.753 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000619672781 369521477 /nfs/dbraw/zinc/52/14/77/369521477.db2.gz ZQJQJAOFMJAOMP-MCIONIFRSA-N 2 2 233.359 1.753 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)o1 ZINC000600769450 369563640 /nfs/dbraw/zinc/56/36/40/369563640.db2.gz NHURBANLJNRXHU-GXFFZTMASA-N 2 2 231.299 1.335 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)o1 ZINC000600769450 369563645 /nfs/dbraw/zinc/56/36/45/369563645.db2.gz NHURBANLJNRXHU-GXFFZTMASA-N 2 2 231.299 1.335 20 30 BDEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000600775509 369566208 /nfs/dbraw/zinc/56/62/08/369566208.db2.gz OBODSFWNDOJGIG-UONOGXRCSA-N 2 2 229.327 1.788 20 30 BDEDLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1C#N ZINC000601328833 369621604 /nfs/dbraw/zinc/62/16/04/369621604.db2.gz AJWSKUMECAIATM-RISCZKNCSA-N 2 2 229.327 1.788 20 30 BDEDLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1C#N ZINC000601328833 369621609 /nfs/dbraw/zinc/62/16/09/369621609.db2.gz AJWSKUMECAIATM-RISCZKNCSA-N 2 2 229.327 1.788 20 30 BDEDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(C#N)n1 ZINC000602528463 369805209 /nfs/dbraw/zinc/80/52/09/369805209.db2.gz BRROIDYDWGSYBW-NSHDSACASA-N 2 2 232.331 1.383 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568650276 326371049 /nfs/dbraw/zinc/37/10/49/326371049.db2.gz SOGLGOISLXEEPV-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP CC#CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568650276 326371051 /nfs/dbraw/zinc/37/10/51/326371051.db2.gz SOGLGOISLXEEPV-GFCCVEGCSA-N 2 2 217.316 1.623 20 30 BDEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624231021 371418478 /nfs/dbraw/zinc/41/84/78/371418478.db2.gz NMRCTASTKWPBBZ-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624231021 371418481 /nfs/dbraw/zinc/41/84/81/371418481.db2.gz NMRCTASTKWPBBZ-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1C#N ZINC000131917295 371714721 /nfs/dbraw/zinc/71/47/21/371714721.db2.gz LEHBWPZUTHZZRV-RISCZKNCSA-N 2 2 229.327 1.870 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1C#N ZINC000131917295 371714724 /nfs/dbraw/zinc/71/47/24/371714724.db2.gz LEHBWPZUTHZZRV-RISCZKNCSA-N 2 2 229.327 1.870 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@@H+]1C ZINC000232315650 372124007 /nfs/dbraw/zinc/12/40/07/372124007.db2.gz AVEOZPJAKPTSQL-DGCLKSJQSA-N 2 2 246.358 1.469 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CC[N@H+]1C ZINC000232315650 372124019 /nfs/dbraw/zinc/12/40/19/372124019.db2.gz AVEOZPJAKPTSQL-DGCLKSJQSA-N 2 2 246.358 1.469 20 30 BDEDLP C=C(C)C[NH+](C)CC(O)C[N@@H+](C)CC(=C)C ZINC000194777110 206109977 /nfs/dbraw/zinc/10/99/77/206109977.db2.gz DXKVOXMUDDITPF-UHFFFAOYSA-N 2 2 226.364 1.363 20 30 BDEDLP C=C(C)C[NH+](C)CC(O)C[N@H+](C)CC(=C)C ZINC000194777110 206109983 /nfs/dbraw/zinc/10/99/83/206109983.db2.gz DXKVOXMUDDITPF-UHFFFAOYSA-N 2 2 226.364 1.363 20 30 BDEDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000289528005 384134172 /nfs/dbraw/zinc/13/41/72/384134172.db2.gz VXXCKMWLTNMNFH-UHFFFAOYSA-N 2 2 235.331 1.925 20 30 BDEDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000289528005 384134179 /nfs/dbraw/zinc/13/41/79/384134179.db2.gz VXXCKMWLTNMNFH-UHFFFAOYSA-N 2 2 235.331 1.925 20 30 BDEDLP C#CCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000270471266 533053797 /nfs/dbraw/zinc/05/37/97/533053797.db2.gz BLDXPNICXMJZIU-UHFFFAOYSA-N 2 2 229.327 1.535 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135495959 384449466 /nfs/dbraw/zinc/44/94/66/384449466.db2.gz RXSKNDZWJNRKDT-UHFFFAOYSA-N 2 2 235.356 1.804 20 30 BDEDLP C[NH+](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000135494802 384972993 /nfs/dbraw/zinc/97/29/93/384972993.db2.gz LHBVPNXDIGVLLB-UHFFFAOYSA-N 2 2 223.345 1.661 20 30 BDEDLP CC#CC[N@H+](C)CCC[NH+]1CCCCC1 ZINC000339756306 386591853 /nfs/dbraw/zinc/59/18/53/386591853.db2.gz ALWHEYLZHJTBAJ-UHFFFAOYSA-N 2 2 208.349 1.818 20 30 BDEDLP CC#CC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000339756306 386591857 /nfs/dbraw/zinc/59/18/57/386591857.db2.gz ALWHEYLZHJTBAJ-UHFFFAOYSA-N 2 2 208.349 1.818 20 30 BDEDLP C#C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123091520 386538735 /nfs/dbraw/zinc/53/87/35/386538735.db2.gz TXWCRMFIMVTUDC-LBPRGKRZSA-N 2 2 229.327 1.662 20 30 BDEDLP COCC[NH2+]CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423323345 387166801 /nfs/dbraw/zinc/16/68/01/387166801.db2.gz HFCWMSDHTQFKDG-GFCCVEGCSA-N 2 2 247.342 1.445 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422983489 387793641 /nfs/dbraw/zinc/79/36/41/387793641.db2.gz ZRPVBJJKPPROGP-STQMWFEESA-N 3 2 239.407 1.742 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318174 387967488 /nfs/dbraw/zinc/96/74/88/387967488.db2.gz CPIKYRGKVVYUPG-GFQSEFKGSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318174 387967491 /nfs/dbraw/zinc/96/74/91/387967491.db2.gz CPIKYRGKVVYUPG-GFQSEFKGSA-N 2 2 233.359 1.751 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423197582 387983157 /nfs/dbraw/zinc/98/31/57/387983157.db2.gz ZXPCWVIAQRIEKS-UTUOFQBUSA-N 2 2 207.321 1.410 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000453354308 388056910 /nfs/dbraw/zinc/05/69/10/388056910.db2.gz NIOSVECABQVJDB-CRWXNKLISA-N 2 2 238.375 1.650 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000453354308 388056913 /nfs/dbraw/zinc/05/69/13/388056913.db2.gz NIOSVECABQVJDB-CRWXNKLISA-N 2 2 238.375 1.650 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389240 388191488 /nfs/dbraw/zinc/19/14/88/388191488.db2.gz CGZOOXOTLRWSLG-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389240 388191490 /nfs/dbraw/zinc/19/14/90/388191490.db2.gz CGZOOXOTLRWSLG-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000449548160 388229583 /nfs/dbraw/zinc/22/95/83/388229583.db2.gz LMGNOJSNGZKIEF-MNOVXSKESA-N 2 2 207.277 1.233 20 30 BDEDLP C#C[C@@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000491375697 388289870 /nfs/dbraw/zinc/28/98/70/388289870.db2.gz XLZIXGTVSTWNTO-LLVKDONJSA-N 2 2 213.284 1.788 20 30 BDEDLP C#C[C@@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000491375697 388289872 /nfs/dbraw/zinc/28/98/72/388289872.db2.gz XLZIXGTVSTWNTO-LLVKDONJSA-N 2 2 213.284 1.788 20 30 BDEDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1C#N ZINC000414886657 388666209 /nfs/dbraw/zinc/66/62/09/388666209.db2.gz QFBVZHOYVHPELC-LBPRGKRZSA-N 2 2 231.299 1.018 20 30 BDEDLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423219071 388687762 /nfs/dbraw/zinc/68/77/62/388687762.db2.gz VUDRJFLJAOSXNL-KGLIPLIRSA-N 2 2 229.327 1.961 20 30 BDEDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423237469 388689332 /nfs/dbraw/zinc/68/93/32/388689332.db2.gz DJDULDFERSWTPN-NSHDSACASA-N 2 2 217.316 1.818 20 30 BDEDLP Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000424407492 388697609 /nfs/dbraw/zinc/69/76/09/388697609.db2.gz BZOQWQPAAGXZAH-WCQYABFASA-N 2 2 244.342 1.613 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000248919876 388700243 /nfs/dbraw/zinc/70/02/43/388700243.db2.gz DXRSGOYNEZZVKC-CHWSQXEVSA-N 2 2 228.380 1.491 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000248919876 388700245 /nfs/dbraw/zinc/70/02/45/388700245.db2.gz DXRSGOYNEZZVKC-CHWSQXEVSA-N 2 2 228.380 1.491 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000177906055 134301681 /nfs/dbraw/zinc/30/16/81/134301681.db2.gz QUVXQRYSNCVBCS-QWHCGFSZSA-N 2 2 238.375 1.651 20 30 BDEDLP COCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185808127 134391339 /nfs/dbraw/zinc/39/13/39/134391339.db2.gz VSVGHUOXYXEPHE-STQMWFEESA-N 2 2 239.363 1.237 20 30 BDEDLP COCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185808127 134391340 /nfs/dbraw/zinc/39/13/40/134391340.db2.gz VSVGHUOXYXEPHE-STQMWFEESA-N 2 2 239.363 1.237 20 30 BDEDLP C[C@@H](CC#N)[N@H+](C)CCCn1cc[nH+]c1 ZINC000063095831 134395677 /nfs/dbraw/zinc/39/56/77/134395677.db2.gz CGQHCCFKQULLCC-NSHDSACASA-N 2 2 206.293 1.507 20 30 BDEDLP C[C@@H](CC#N)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000063095831 134395679 /nfs/dbraw/zinc/39/56/79/134395679.db2.gz CGQHCCFKQULLCC-NSHDSACASA-N 2 2 206.293 1.507 20 30 BDEDLP C#CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365679147 135013191 /nfs/dbraw/zinc/01/31/91/135013191.db2.gz NRZRRLBHMGPGON-GFCCVEGCSA-N 2 2 202.257 1.168 20 30 BDEDLP C#CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365679147 135013193 /nfs/dbraw/zinc/01/31/93/135013193.db2.gz NRZRRLBHMGPGON-GFCCVEGCSA-N 2 2 202.257 1.168 20 30 BDEDLP CCc1ccc([C@@H](CNC(=[NH2+])NC)[NH+](C)C)cc1 ZINC000264137366 135135323 /nfs/dbraw/zinc/13/53/23/135135323.db2.gz VLHYRXVULDWMQR-CYBMUJFWSA-N 2 2 248.374 1.386 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000341326750 135236290 /nfs/dbraw/zinc/23/62/90/135236290.db2.gz XVGFFEYJOUBDCR-RWMBFGLXSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000341326750 135236291 /nfs/dbraw/zinc/23/62/91/135236291.db2.gz XVGFFEYJOUBDCR-RWMBFGLXSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000334286580 135339742 /nfs/dbraw/zinc/33/97/42/135339742.db2.gz HCVUBNJQCOXQSZ-UHFFFAOYSA-N 2 2 217.316 1.698 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000295123549 135379174 /nfs/dbraw/zinc/37/91/74/135379174.db2.gz YXPJJXIDVREEIZ-ZDUSSCGKSA-N 2 2 231.343 1.687 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000295123549 135379175 /nfs/dbraw/zinc/37/91/75/135379175.db2.gz YXPJJXIDVREEIZ-ZDUSSCGKSA-N 2 2 231.343 1.687 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000297208067 135380013 /nfs/dbraw/zinc/38/00/13/135380013.db2.gz GMVOXBNFORKPHS-NSHDSACASA-N 2 2 220.320 1.015 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000297208067 135380015 /nfs/dbraw/zinc/38/00/15/135380015.db2.gz GMVOXBNFORKPHS-NSHDSACASA-N 2 2 220.320 1.015 20 30 BDEDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C#N)c1 ZINC000335552547 136098503 /nfs/dbraw/zinc/09/85/03/136098503.db2.gz OMMJQARVFLOMJR-GXFFZTMASA-N 2 2 215.300 1.571 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335561047 136106371 /nfs/dbraw/zinc/10/63/71/136106371.db2.gz HYZNPXXRDXIYLC-RISCZKNCSA-N 2 2 229.327 1.646 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649622831 398007794 /nfs/dbraw/zinc/00/77/94/398007794.db2.gz WERMUVMPUPNWMP-UPJWGTAASA-N 2 2 224.348 1.404 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649622831 398007799 /nfs/dbraw/zinc/00/77/99/398007799.db2.gz WERMUVMPUPNWMP-UPJWGTAASA-N 2 2 224.348 1.404 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000270603575 166352781 /nfs/dbraw/zinc/35/27/81/166352781.db2.gz GGEDXSANDBGPMN-UHFFFAOYSA-N 2 2 233.359 1.765 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658209560 411294272 /nfs/dbraw/zinc/29/42/72/411294272.db2.gz HBVOBRNEMSVZSV-TZMCWYRMSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658209560 411294274 /nfs/dbraw/zinc/29/42/74/411294274.db2.gz HBVOBRNEMSVZSV-TZMCWYRMSA-N 2 2 238.375 1.651 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000328534626 170020275 /nfs/dbraw/zinc/02/02/75/170020275.db2.gz ZNVCZNJHNOIPCX-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000328534626 170020276 /nfs/dbraw/zinc/02/02/76/170020276.db2.gz ZNVCZNJHNOIPCX-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657658044 411571928 /nfs/dbraw/zinc/57/19/28/411571928.db2.gz KEKZXFFOQGRRRC-QWHCGFSZSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657658044 411571929 /nfs/dbraw/zinc/57/19/29/411571929.db2.gz KEKZXFFOQGRRRC-QWHCGFSZSA-N 2 2 238.375 1.794 20 30 BDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605165 173198662 /nfs/dbraw/zinc/19/86/62/173198662.db2.gz ZSWQYDBPRUGYAH-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605165 173198664 /nfs/dbraw/zinc/19/86/64/173198664.db2.gz ZSWQYDBPRUGYAH-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605165 173198665 /nfs/dbraw/zinc/19/86/65/173198665.db2.gz ZSWQYDBPRUGYAH-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605165 173198667 /nfs/dbraw/zinc/19/86/67/173198667.db2.gz ZSWQYDBPRUGYAH-GASCZTMLSA-N 2 2 241.338 1.552 20 30 BDEDLP CC#CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000680883808 487664813 /nfs/dbraw/zinc/66/48/13/487664813.db2.gz XLSVQPMFQVNIEK-ZDUSSCGKSA-N 2 2 217.316 1.933 20 30 BDEDLP CC#CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000680883808 487664817 /nfs/dbraw/zinc/66/48/17/487664817.db2.gz XLSVQPMFQVNIEK-ZDUSSCGKSA-N 2 2 217.316 1.933 20 30 BDEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+]1CCCC1 ZINC000564844054 322938149 /nfs/dbraw/zinc/93/81/49/322938149.db2.gz HYHCMJMBLMQRGW-ZIAGYGMSSA-N 2 2 248.374 1.751 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000278258001 487682283 /nfs/dbraw/zinc/68/22/83/487682283.db2.gz NKPJWUPPFVWKQX-AGIUHOORSA-N 2 2 232.331 1.944 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568650277 326370953 /nfs/dbraw/zinc/37/09/53/326370953.db2.gz SOGLGOISLXEEPV-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP CC#CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568650277 326370955 /nfs/dbraw/zinc/37/09/55/326370955.db2.gz SOGLGOISLXEEPV-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP COCC#CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000677820252 487519015 /nfs/dbraw/zinc/51/90/15/487519015.db2.gz KOVMNAUJPUIAKR-QWHCGFSZSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000677820252 487519019 /nfs/dbraw/zinc/51/90/19/487519019.db2.gz KOVMNAUJPUIAKR-QWHCGFSZSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000677820252 487519023 /nfs/dbraw/zinc/51/90/23/487519023.db2.gz KOVMNAUJPUIAKR-QWHCGFSZSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000677820252 487519028 /nfs/dbraw/zinc/51/90/28/487519028.db2.gz KOVMNAUJPUIAKR-QWHCGFSZSA-N 2 2 224.348 1.051 20 30 BDEDLP C[NH+](C)[C@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000336292250 536135746 /nfs/dbraw/zinc/13/57/46/536135746.db2.gz VEWNVWCPNFAUAC-LBPRGKRZSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000336292250 536135753 /nfs/dbraw/zinc/13/57/53/536135753.db2.gz VEWNVWCPNFAUAC-LBPRGKRZSA-N 2 2 221.348 1.706 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000894228434 583384529 /nfs/dbraw/zinc/38/45/29/583384529.db2.gz CWTTXBGJBVWBGX-UHFFFAOYSA-N 2 2 234.347 1.540 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)noc1CC ZINC000894639916 583498276 /nfs/dbraw/zinc/49/82/76/583498276.db2.gz VYSIBIAVEMODSS-UHFFFAOYSA-N 2 2 249.358 1.590 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)noc1CC ZINC000894639916 583498278 /nfs/dbraw/zinc/49/82/78/583498278.db2.gz VYSIBIAVEMODSS-UHFFFAOYSA-N 2 2 249.358 1.590 20 30 BDEDLP C[NH+](C)CC#CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000894877180 583541791 /nfs/dbraw/zinc/54/17/91/583541791.db2.gz XXMVXUINIKVHCY-UHFFFAOYSA-N 2 2 246.358 1.751 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000896554094 583811797 /nfs/dbraw/zinc/81/17/97/583811797.db2.gz GPIQSXCXSSGIDA-WOPDTQHZSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000896554094 583811799 /nfs/dbraw/zinc/81/17/99/583811799.db2.gz GPIQSXCXSSGIDA-WOPDTQHZSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000902446368 584597954 /nfs/dbraw/zinc/59/79/54/584597954.db2.gz OOKWAPVILOKUKZ-HTQZYQBOSA-N 2 2 224.333 1.230 20 30 BDEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000902443590 584598223 /nfs/dbraw/zinc/59/82/23/584598223.db2.gz LEZIDQBMTAWKKF-UTUOFQBUSA-N 2 2 221.348 1.656 20 30 BDEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000902445995 584599116 /nfs/dbraw/zinc/59/91/16/584599116.db2.gz NOGAKMJYFXBUID-WCBMZHEXSA-N 2 2 236.344 1.232 20 30 BDEDLP N#Cc1csc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000902448013 584604745 /nfs/dbraw/zinc/60/47/45/584604745.db2.gz WRPYCNZWGJNOPN-UWVGGRQHSA-N 2 2 248.355 1.374 20 30 BDEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902998517 584714951 /nfs/dbraw/zinc/71/49/51/584714951.db2.gz FJBNCXJGGAJPLP-NWDGAFQWSA-N 2 2 246.358 1.802 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@@H+]1C ZINC000903299714 584743786 /nfs/dbraw/zinc/74/37/86/584743786.db2.gz DCNBGJPHYFVFBC-NOOOWODRSA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@H+]1C ZINC000903299714 584743787 /nfs/dbraw/zinc/74/37/87/584743787.db2.gz DCNBGJPHYFVFBC-NOOOWODRSA-N 2 2 207.321 1.361 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000903474472 584776748 /nfs/dbraw/zinc/77/67/48/584776748.db2.gz NHMYPXFERYZCQX-LBPRGKRZSA-N 2 2 231.343 1.954 20 30 BDEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@H](C)[NH3+] ZINC000903474472 584776750 /nfs/dbraw/zinc/77/67/50/584776750.db2.gz NHMYPXFERYZCQX-LBPRGKRZSA-N 2 2 231.343 1.954 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000760830104 585398369 /nfs/dbraw/zinc/39/83/69/585398369.db2.gz JGZZAHXYUQUMNV-GFCCVEGCSA-N 2 2 203.289 1.543 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000760830104 585398370 /nfs/dbraw/zinc/39/83/70/585398370.db2.gz JGZZAHXYUQUMNV-GFCCVEGCSA-N 2 2 203.289 1.543 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC1CCOCC1 ZINC000774434012 585658789 /nfs/dbraw/zinc/65/87/89/585658789.db2.gz GOEPNLYKFKDEOI-UHFFFAOYSA-N 2 2 249.314 1.677 20 30 BDEDLP COC[C@H](C)N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000777894647 585722857 /nfs/dbraw/zinc/72/28/57/585722857.db2.gz NFASHVDAYOAKNF-JTQLQIEISA-N 2 2 236.319 1.106 20 30 BDEDLP C#CCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000799188281 586165676 /nfs/dbraw/zinc/16/56/76/586165676.db2.gz IJOQFRJVRPKYGF-UHFFFAOYSA-N 2 2 229.327 1.535 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000815651708 586690363 /nfs/dbraw/zinc/69/03/63/586690363.db2.gz AMEWPXZHTBQZET-NSHDSACASA-N 2 2 234.347 1.324 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000815651708 586690365 /nfs/dbraw/zinc/69/03/65/586690365.db2.gz AMEWPXZHTBQZET-NSHDSACASA-N 2 2 234.347 1.324 20 30 BDEDLP CC([NH2+]Nc1[nH+]ccn1C)=C1CC1(F)F ZINC000841637324 587964407 /nfs/dbraw/zinc/96/44/07/587964407.db2.gz UVSVNYFXFSBXGB-SSDOTTSWSA-N 2 2 214.219 1.863 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)nn1 ZINC000848599408 588401465 /nfs/dbraw/zinc/40/14/65/588401465.db2.gz JAYJKILEUCKYCW-GFCCVEGCSA-N 2 2 249.362 1.025 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nn1 ZINC000848599408 588401466 /nfs/dbraw/zinc/40/14/66/588401466.db2.gz JAYJKILEUCKYCW-GFCCVEGCSA-N 2 2 249.362 1.025 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000851841225 588634376 /nfs/dbraw/zinc/63/43/76/588634376.db2.gz ODXQGZVQJIYKSU-ZDUSSCGKSA-N 2 2 224.348 1.099 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000851841225 588634377 /nfs/dbraw/zinc/63/43/77/588634377.db2.gz ODXQGZVQJIYKSU-ZDUSSCGKSA-N 2 2 224.348 1.099 20 30 BDEDLP c1cnn([NH+]=C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000863165659 589267037 /nfs/dbraw/zinc/26/70/37/589267037.db2.gz JXOHSYBEBJCSIY-UHFFFAOYSA-N 2 2 241.298 1.783 20 30 BDEDLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000872145769 589884069 /nfs/dbraw/zinc/88/40/69/589884069.db2.gz XYSDDOCVMJZIQZ-UHFFFAOYSA-N 2 2 233.315 1.725 20 30 BDEDLP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(C#N)o1 ZINC000872145769 589884071 /nfs/dbraw/zinc/88/40/71/589884071.db2.gz XYSDDOCVMJZIQZ-UHFFFAOYSA-N 2 2 233.315 1.725 20 30 BDEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743108 590408936 /nfs/dbraw/zinc/40/89/36/590408936.db2.gz IDYSWHCKADELKC-RISCZKNCSA-N 2 2 245.326 1.677 20 30 BDEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743108 590408938 /nfs/dbraw/zinc/40/89/38/590408938.db2.gz IDYSWHCKADELKC-RISCZKNCSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743108 590408940 /nfs/dbraw/zinc/40/89/40/590408940.db2.gz IDYSWHCKADELKC-RISCZKNCSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743108 590408943 /nfs/dbraw/zinc/40/89/43/590408943.db2.gz IDYSWHCKADELKC-RISCZKNCSA-N 2 2 245.326 1.677 20 30 BDEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743106 590409609 /nfs/dbraw/zinc/40/96/09/590409609.db2.gz IDYSWHCKADELKC-BXUZGUMPSA-N 2 2 245.326 1.677 20 30 BDEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743106 590409612 /nfs/dbraw/zinc/40/96/12/590409612.db2.gz IDYSWHCKADELKC-BXUZGUMPSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743106 590409615 /nfs/dbraw/zinc/40/96/15/590409615.db2.gz IDYSWHCKADELKC-BXUZGUMPSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000877743106 590409617 /nfs/dbraw/zinc/40/96/17/590409617.db2.gz IDYSWHCKADELKC-BXUZGUMPSA-N 2 2 245.326 1.677 20 30 BDEDLP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CSC1 ZINC000878910980 590649172 /nfs/dbraw/zinc/64/91/72/590649172.db2.gz CKMDBQWGLUFPBG-LBPRGKRZSA-N 2 2 238.400 1.521 20 30 BDEDLP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CSC1 ZINC000878910980 590649175 /nfs/dbraw/zinc/64/91/75/590649175.db2.gz CKMDBQWGLUFPBG-LBPRGKRZSA-N 2 2 238.400 1.521 20 30 BDEDLP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CSC1 ZINC000878910980 590649176 /nfs/dbraw/zinc/64/91/76/590649176.db2.gz CKMDBQWGLUFPBG-LBPRGKRZSA-N 2 2 238.400 1.521 20 30 BDEDLP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CSC1 ZINC000878910980 590649179 /nfs/dbraw/zinc/64/91/79/590649179.db2.gz CKMDBQWGLUFPBG-LBPRGKRZSA-N 2 2 238.400 1.521 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880137074 590940060 /nfs/dbraw/zinc/94/00/60/590940060.db2.gz XNSBICGZNXPBRD-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880137074 590940062 /nfs/dbraw/zinc/94/00/62/590940062.db2.gz XNSBICGZNXPBRD-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880137074 590940063 /nfs/dbraw/zinc/94/00/63/590940063.db2.gz XNSBICGZNXPBRD-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880137074 590940065 /nfs/dbraw/zinc/94/00/65/590940065.db2.gz XNSBICGZNXPBRD-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc(F)c1 ZINC000883131256 591547287 /nfs/dbraw/zinc/54/72/87/591547287.db2.gz RUXDNEKGCVFDRO-UHFFFAOYSA-N 2 2 235.306 1.265 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc(F)c1 ZINC000883131256 591547289 /nfs/dbraw/zinc/54/72/89/591547289.db2.gz RUXDNEKGCVFDRO-UHFFFAOYSA-N 2 2 235.306 1.265 20 30 BDEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883166215 591558572 /nfs/dbraw/zinc/55/85/72/591558572.db2.gz VOWHYORHQNMJAO-KGLIPLIRSA-N 2 2 249.358 1.987 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000883390296 591641755 /nfs/dbraw/zinc/64/17/55/591641755.db2.gz JBZPZHWTIVTIHO-RWMBFGLXSA-N 2 2 238.375 1.528 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000883390296 591641756 /nfs/dbraw/zinc/64/17/56/591641756.db2.gz JBZPZHWTIVTIHO-RWMBFGLXSA-N 2 2 238.375 1.528 20 30 BDEDLP C#CCC1([NH2+]CCCn2cc[nH+]c2)CCC1 ZINC000933299273 640702578 /nfs/dbraw/zinc/70/25/78/640702578.db2.gz QHXNULPINUWMFM-UHFFFAOYSA-N 2 2 217.316 1.809 20 30 BDEDLP C=CCSCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000231930245 641216599 /nfs/dbraw/zinc/21/65/99/641216599.db2.gz XOSBGZUBCOJMJK-NWDGAFQWSA-N 2 2 244.404 1.262 20 30 BDEDLP N#Cc1cc(C[NH2+]CCCn2cc[nH+]c2)cs1 ZINC000921472825 642631369 /nfs/dbraw/zinc/63/13/69/642631369.db2.gz SOEQUIMHQISEFI-UHFFFAOYSA-N 2 2 246.339 1.996 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000923286277 644319747 /nfs/dbraw/zinc/31/97/47/644319747.db2.gz MHZKFBQAZPSHDB-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000923286277 644319754 /nfs/dbraw/zinc/31/97/54/644319754.db2.gz MHZKFBQAZPSHDB-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530452 644486090 /nfs/dbraw/zinc/48/60/90/644486090.db2.gz IXWRDGZQYTYKTD-KBPBESRZSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530452 644486097 /nfs/dbraw/zinc/48/60/97/644486097.db2.gz IXWRDGZQYTYKTD-KBPBESRZSA-N 2 2 238.375 1.532 20 30 BDEDLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C#N)CCC1 ZINC000926627829 645323975 /nfs/dbraw/zinc/32/39/75/645323975.db2.gz RCNVMQAJEIOCLS-FUNVUKJBSA-N 2 2 233.359 1.610 20 30 BDEDLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C#N)CCC1 ZINC000926627829 645323980 /nfs/dbraw/zinc/32/39/80/645323980.db2.gz RCNVMQAJEIOCLS-FUNVUKJBSA-N 2 2 233.359 1.610 20 30 BDEDLP N#CCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925658704 646394716 /nfs/dbraw/zinc/39/47/16/646394716.db2.gz YXXMKJDBHYVPHL-LLVKDONJSA-N 2 2 219.332 1.554 20 30 BDEDLP C=CCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCCC1 ZINC000925685049 646411607 /nfs/dbraw/zinc/41/16/07/646411607.db2.gz CYACDAUIONYCMI-ZDUSSCGKSA-N 2 2 238.375 1.701 20 30 BDEDLP C#CCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720433460 712842334 /nfs/dbraw/zinc/84/23/34/712842334.db2.gz QHSCPIAHBGIZMP-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720433460 712842335 /nfs/dbraw/zinc/84/23/35/712842335.db2.gz QHSCPIAHBGIZMP-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720433460 712842337 /nfs/dbraw/zinc/84/23/37/712842337.db2.gz QHSCPIAHBGIZMP-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3(CC#N)CC3)C[C@H]21 ZINC000394982597 711199422 /nfs/dbraw/zinc/19/94/22/711199422.db2.gz XGEMEAJWZCBUDF-GDNZZTSVSA-N 2 2 219.332 1.172 20 30 BDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3(CC#N)CC3)C[C@H]21 ZINC000394982597 711199428 /nfs/dbraw/zinc/19/94/28/711199428.db2.gz XGEMEAJWZCBUDF-GDNZZTSVSA-N 2 2 219.332 1.172 20 30 BDEDLP C#C[C@@](C)(CC)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724778215 711612927 /nfs/dbraw/zinc/61/29/27/711612927.db2.gz BQRFJLQERKHWJX-LBPRGKRZSA-N 2 2 205.305 1.918 20 30 BDEDLP C[C@@H](C#N)OCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709892836 712231436 /nfs/dbraw/zinc/23/14/36/712231436.db2.gz MCQXONZDHHLBCQ-LBPRGKRZSA-N 2 2 239.363 1.331 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000884612487 712647827 /nfs/dbraw/zinc/64/78/27/712647827.db2.gz MNDIYYJEPTZFLJ-ZDUSSCGKSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000884612487 712647828 /nfs/dbraw/zinc/64/78/28/712647828.db2.gz MNDIYYJEPTZFLJ-ZDUSSCGKSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720433460 712842333 /nfs/dbraw/zinc/84/23/33/712842333.db2.gz QHSCPIAHBGIZMP-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001252578097 983833229 /nfs/dbraw/zinc/83/32/29/983833229.db2.gz BMIJDZFPHVTMMC-TZMCWYRMSA-N 2 2 238.375 1.530 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001252578097 983833230 /nfs/dbraw/zinc/83/32/30/983833230.db2.gz BMIJDZFPHVTMMC-TZMCWYRMSA-N 2 2 238.375 1.530 20 30 BDEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000402134338 970765240 /nfs/dbraw/zinc/76/52/40/970765240.db2.gz GIJVOBSBUVKHFW-KGLIPLIRSA-N 2 2 245.326 1.015 20 30 BDEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000402134338 970765246 /nfs/dbraw/zinc/76/52/46/970765246.db2.gz GIJVOBSBUVKHFW-KGLIPLIRSA-N 2 2 245.326 1.015 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405825176 971313520 /nfs/dbraw/zinc/31/35/20/971313520.db2.gz LLYRDMIIYORJOL-AWEZNQCLSA-N 2 2 229.327 1.790 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405825176 971313527 /nfs/dbraw/zinc/31/35/27/971313527.db2.gz LLYRDMIIYORJOL-AWEZNQCLSA-N 2 2 229.327 1.790 20 30 BDEDLP N#CCc1cc(NCc2cc[nH+]c(N)c2)cc[nH+]1 ZINC001167616725 959077945 /nfs/dbraw/zinc/07/79/45/959077945.db2.gz NUQSAARUJOZRNU-UHFFFAOYSA-N 2 2 239.282 1.159 20 30 BDEDLP C[NH+](C)C1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001168294994 964387459 /nfs/dbraw/zinc/38/74/59/964387459.db2.gz MWUZPNCAEXZAEM-UHFFFAOYSA-N 2 2 209.337 1.751 20 30 BDEDLP N#CCc1ccc[nH+]c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163254668 965318008 /nfs/dbraw/zinc/31/80/08/965318008.db2.gz PJIJBIYKPRSGLI-AGIUHOORSA-N 2 2 242.326 1.558 20 30 BDEDLP C#Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990158 966212021 /nfs/dbraw/zinc/21/20/21/966212021.db2.gz LMDJUDSCJXKNHB-CABCVRRESA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990158 966212043 /nfs/dbraw/zinc/21/20/43/966212043.db2.gz LMDJUDSCJXKNHB-CABCVRRESA-N 2 2 226.323 1.591 20 30 BDEDLP C=C[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253598756 969290968 /nfs/dbraw/zinc/29/09/68/969290968.db2.gz XLWCZQCNKUWILW-CQSZACIVSA-N 2 2 243.310 1.509 20 30 BDEDLP SCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254849869 969806106 /nfs/dbraw/zinc/80/61/06/969806106.db2.gz YWPHUYGFNACXRI-NSHDSACASA-N 2 2 214.378 1.380 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CCOc1cc[nH+]cc1 ZINC001255164552 969978058 /nfs/dbraw/zinc/97/80/58/969978058.db2.gz ODOUOBXQINPDSP-LLVKDONJSA-N 2 2 219.288 1.742 20 30 BDEDLP CC[C@H](CC#N)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001255166784 969980710 /nfs/dbraw/zinc/98/07/10/969980710.db2.gz QIGDZIRFOHPIRZ-LLVKDONJSA-N 2 2 232.331 1.745 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000401559355 970705131 /nfs/dbraw/zinc/70/51/31/970705131.db2.gz WDGICSDMFIWCQV-CYBMUJFWSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000401559355 970705157 /nfs/dbraw/zinc/70/51/57/970705157.db2.gz WDGICSDMFIWCQV-CYBMUJFWSA-N 2 2 246.358 1.332 20 30 BDEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](C#N)C1)C2 ZINC001172123665 974389828 /nfs/dbraw/zinc/38/98/28/974389828.db2.gz HPZFPTGYKTUKGS-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](C#N)C1)C2 ZINC001172123665 974389843 /nfs/dbraw/zinc/38/98/43/974389843.db2.gz HPZFPTGYKTUKGS-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](C#N)C1)C2 ZINC001172123665 974389852 /nfs/dbraw/zinc/38/98/52/974389852.db2.gz HPZFPTGYKTUKGS-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](C#N)C1)C2 ZINC001172123665 974389866 /nfs/dbraw/zinc/38/98/66/974389866.db2.gz HPZFPTGYKTUKGS-IGQOVBAYSA-N 2 2 233.359 1.847 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206164067 974629671 /nfs/dbraw/zinc/62/96/71/974629671.db2.gz JEFRABJKJLAAIM-KBPBESRZSA-N 2 2 247.317 1.819 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206164067 974629681 /nfs/dbraw/zinc/62/96/81/974629681.db2.gz JEFRABJKJLAAIM-KBPBESRZSA-N 2 2 247.317 1.819 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206164072 974630483 /nfs/dbraw/zinc/63/04/83/974630483.db2.gz JEFRABJKJLAAIM-ZIAGYGMSSA-N 2 2 247.317 1.819 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206164072 974630486 /nfs/dbraw/zinc/63/04/86/974630486.db2.gz JEFRABJKJLAAIM-ZIAGYGMSSA-N 2 2 247.317 1.819 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]CCc1[nH+]ccn1C ZINC001172487634 974831362 /nfs/dbraw/zinc/83/13/62/974831362.db2.gz CSUIUWGETIAJNS-NSHDSACASA-N 2 2 220.320 1.635 20 30 BDEDLP C#Cc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235989199 979271938 /nfs/dbraw/zinc/27/19/38/979271938.db2.gz IFZZIMVQBARWKT-CABCVRRESA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235989199 979271952 /nfs/dbraw/zinc/27/19/52/979271952.db2.gz IFZZIMVQBARWKT-CABCVRRESA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235989202 979274940 /nfs/dbraw/zinc/27/49/40/979274940.db2.gz IFZZIMVQBARWKT-GJZGRUSLSA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235989202 979274949 /nfs/dbraw/zinc/27/49/49/979274949.db2.gz IFZZIMVQBARWKT-GJZGRUSLSA-N 2 2 226.323 1.591 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236250732 979468883 /nfs/dbraw/zinc/46/88/83/979468883.db2.gz KTLXHTXSHUTCAK-GFCCVEGCSA-N 2 2 231.299 1.187 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236250732 979468887 /nfs/dbraw/zinc/46/88/87/979468887.db2.gz KTLXHTXSHUTCAK-GFCCVEGCSA-N 2 2 231.299 1.187 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]CCc1[nH]c[nH+]c1C ZINC001252615351 983851844 /nfs/dbraw/zinc/85/18/44/983851844.db2.gz ZRTHZCQEQKMLID-LLVKDONJSA-N 2 2 223.320 1.177 20 30 BDEDLP C=CCOCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233596 983935834 /nfs/dbraw/zinc/93/58/34/983935834.db2.gz GYFRDHPNTIJJMO-UHFFFAOYSA-N 2 2 249.358 1.802 20 30 BDEDLP C=C[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001253586198 986165169 /nfs/dbraw/zinc/16/51/69/986165169.db2.gz HTGPOAMACIIPJB-QWHCGFSZSA-N 2 2 248.326 1.390 20 30 BDEDLP C=C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001253586198 986165180 /nfs/dbraw/zinc/16/51/80/986165180.db2.gz HTGPOAMACIIPJB-QWHCGFSZSA-N 2 2 248.326 1.390 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041250 986429938 /nfs/dbraw/zinc/42/99/38/986429938.db2.gz YHMYRNNMSRVRDF-JCIQBVFBSA-N 2 2 205.305 1.161 20 30 BDEDLP CCCCCCCC[C@@H](O)C[NH2+]CC[NH2+]C ZINC001245977264 987248927 /nfs/dbraw/zinc/24/89/27/987248927.db2.gz WUIKYKYIIVHHNC-CYBMUJFWSA-N 2 2 230.396 1.907 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246262198 987658936 /nfs/dbraw/zinc/65/89/36/987658936.db2.gz IACDYLUBSGUMQS-AWEZNQCLSA-N 2 2 214.312 1.510 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246267897 987663532 /nfs/dbraw/zinc/66/35/32/987663532.db2.gz STOQYKMEONEEQK-DOMZBBRYSA-N 2 2 228.339 1.898 20 30 BDEDLP C#CC1([NH2+][C@@H]2CCC[NH2+]C2)CCCCC1 ZINC001246465406 987824359 /nfs/dbraw/zinc/82/43/59/987824359.db2.gz YLCMIQUVVVXWLT-GFCCVEGCSA-N 2 2 206.333 1.664 20 30 BDEDLP CC1(C#N)CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923288 988739436 /nfs/dbraw/zinc/73/94/36/988739436.db2.gz XSEQSJGCBNCJJI-GMKTYKIGSA-N 2 2 219.332 1.362 20 30 BDEDLP CC1(C#N)CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923288 988739452 /nfs/dbraw/zinc/73/94/52/988739452.db2.gz XSEQSJGCBNCJJI-GMKTYKIGSA-N 2 2 219.332 1.362 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335540633 398205958 /nfs/dbraw/zinc/20/59/58/398205958.db2.gz RWJSTLFEKAKWFY-CQSZACIVSA-N 2 2 229.327 1.790 20 30 BDEDLP CC[C@H](C)NC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000194687637 136221137 /nfs/dbraw/zinc/22/11/37/136221137.db2.gz WBHPPVRZAJKEOZ-NSHDSACASA-N 2 2 249.362 1.586 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000602570400 349620694 /nfs/dbraw/zinc/62/06/94/349620694.db2.gz TYPIHGYBHFVLFE-YRGRVCCFSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000602570400 349620699 /nfs/dbraw/zinc/62/06/99/349620699.db2.gz TYPIHGYBHFVLFE-YRGRVCCFSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000602570398 349620827 /nfs/dbraw/zinc/62/08/27/349620827.db2.gz TYPIHGYBHFVLFE-DYEKYZERSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000602570398 349620830 /nfs/dbraw/zinc/62/08/30/349620830.db2.gz TYPIHGYBHFVLFE-DYEKYZERSA-N 2 2 235.375 1.999 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000390506396 539022649 /nfs/dbraw/zinc/02/26/49/539022649.db2.gz XGTHOSONQLSAJN-YPMHNXCESA-N 2 2 224.348 1.261 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000390506396 539022650 /nfs/dbraw/zinc/02/26/50/539022650.db2.gz XGTHOSONQLSAJN-YPMHNXCESA-N 2 2 224.348 1.261 20 30 BDEDLP C[C@H](CCC#N)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000602668972 349685673 /nfs/dbraw/zinc/68/56/73/349685673.db2.gz ZAMZZZOBTJCEJK-LLVKDONJSA-N 2 2 218.304 1.639 20 30 BDEDLP C[C@H](CCC#N)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000602668972 349685676 /nfs/dbraw/zinc/68/56/76/349685676.db2.gz ZAMZZZOBTJCEJK-LLVKDONJSA-N 2 2 218.304 1.639 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043326266 343051404 /nfs/dbraw/zinc/05/14/04/343051404.db2.gz WJBTZHWZDFYFGZ-BXUZGUMPSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@H](C#N)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000042461136 136272621 /nfs/dbraw/zinc/27/26/21/136272621.db2.gz ZQWJFGUNZABMQF-LLVKDONJSA-N 2 2 206.293 1.365 20 30 BDEDLP C[C@H](C#N)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000042461136 136272622 /nfs/dbraw/zinc/27/26/22/136272622.db2.gz ZQWJFGUNZABMQF-LLVKDONJSA-N 2 2 206.293 1.365 20 30 BDEDLP C#CC[N@@H+](Cc1cc[nH+]c(N)c1)C1CC1 ZINC000299422757 136272804 /nfs/dbraw/zinc/27/28/04/136272804.db2.gz UQNFFRTZTQABJU-UHFFFAOYSA-N 2 2 201.273 1.261 20 30 BDEDLP C#CC[N@H+](Cc1cc[nH+]c(N)c1)C1CC1 ZINC000299422757 136272805 /nfs/dbraw/zinc/27/28/05/136272805.db2.gz UQNFFRTZTQABJU-UHFFFAOYSA-N 2 2 201.273 1.261 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349339433 136342026 /nfs/dbraw/zinc/34/20/26/136342026.db2.gz CPIKYRGKVVYUPG-NMKXLXIOSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349339433 136342027 /nfs/dbraw/zinc/34/20/27/136342027.db2.gz CPIKYRGKVVYUPG-NMKXLXIOSA-N 2 2 233.359 1.751 20 30 BDEDLP C[NH+](C)CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601999817 343658424 /nfs/dbraw/zinc/65/84/24/343658424.db2.gz UDMWEXFOSWBPEJ-UHFFFAOYSA-N 2 2 235.306 1.739 20 30 BDEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309471691 347071219 /nfs/dbraw/zinc/07/12/19/347071219.db2.gz RDNRETXPCLBUSW-UPJWGTAASA-N 2 2 221.348 1.610 20 30 BDEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309471691 347071222 /nfs/dbraw/zinc/07/12/22/347071222.db2.gz RDNRETXPCLBUSW-UPJWGTAASA-N 2 2 221.348 1.610 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959848 345455168 /nfs/dbraw/zinc/45/51/68/345455168.db2.gz ASNWPDVLNUXCQB-LLVKDONJSA-N 2 2 203.289 1.612 20 30 BDEDLP CC#CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959848 345455171 /nfs/dbraw/zinc/45/51/71/345455171.db2.gz ASNWPDVLNUXCQB-LLVKDONJSA-N 2 2 203.289 1.612 20 30 BDEDLP C=CCCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)nn1 ZINC000641802171 362758000 /nfs/dbraw/zinc/75/80/00/362758000.db2.gz YPCVTPVQRLCMOI-RYUDHWBXSA-N 2 2 249.362 1.070 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](C#N)CCC#N ZINC000577216926 365884926 /nfs/dbraw/zinc/88/49/26/365884926.db2.gz ZDNAZODWMJANNU-VXGBXAGGSA-N 2 2 222.336 1.360 20 30 BDEDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(C#N)c1 ZINC000591581297 347677828 /nfs/dbraw/zinc/67/78/28/347677828.db2.gz QKBNYBRGIIAMKE-BPNCWPANSA-N 2 2 247.317 1.909 20 30 BDEDLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592489600 347786967 /nfs/dbraw/zinc/78/69/67/347786967.db2.gz SWCBMEHAEDFSHI-CYBMUJFWSA-N 2 2 230.315 1.124 20 30 BDEDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592489600 347786972 /nfs/dbraw/zinc/78/69/72/347786972.db2.gz SWCBMEHAEDFSHI-CYBMUJFWSA-N 2 2 230.315 1.124 20 30 BDEDLP CC(C)([NH3+])C[NH2+]CC1(C#N)CCCCC1 ZINC000594738845 348110289 /nfs/dbraw/zinc/11/02/89/348110289.db2.gz HUQXFLHZFFWYKQ-UHFFFAOYSA-N 2 2 209.337 1.787 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955712 348149087 /nfs/dbraw/zinc/14/90/87/348149087.db2.gz SPSNBFJGSGEZFO-DOMZBBRYSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955712 348149089 /nfs/dbraw/zinc/14/90/89/348149089.db2.gz SPSNBFJGSGEZFO-DOMZBBRYSA-N 2 2 243.354 1.640 20 30 BDEDLP C=CCCSCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000594960072 348150222 /nfs/dbraw/zinc/15/02/22/348150222.db2.gz JEAAITBKLYPNER-VXGBXAGGSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCCSCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000594960072 348150223 /nfs/dbraw/zinc/15/02/23/348150223.db2.gz JEAAITBKLYPNER-VXGBXAGGSA-N 2 2 228.405 1.835 20 30 BDEDLP C[C@@H](C#N)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000595712306 348324653 /nfs/dbraw/zinc/32/46/53/348324653.db2.gz JNBQQFREDICKPQ-NSHDSACASA-N 2 2 218.304 1.650 20 30 BDEDLP C[C@@H](C#N)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000595712306 348324654 /nfs/dbraw/zinc/32/46/54/348324654.db2.gz JNBQQFREDICKPQ-NSHDSACASA-N 2 2 218.304 1.650 20 30 BDEDLP C[C@@]1(C#N)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000595844481 348382354 /nfs/dbraw/zinc/38/23/54/348382354.db2.gz TUCOGXVPJWFWGR-NSHDSACASA-N 2 2 204.277 1.119 20 30 BDEDLP C[C@@]1(C#N)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000595844481 348382356 /nfs/dbraw/zinc/38/23/56/348382356.db2.gz TUCOGXVPJWFWGR-NSHDSACASA-N 2 2 204.277 1.119 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000595898515 348393899 /nfs/dbraw/zinc/39/38/99/348393899.db2.gz IZWALIQPZRTFQV-UHFFFAOYSA-N 2 2 217.316 1.727 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000595898515 348393900 /nfs/dbraw/zinc/39/39/00/348393900.db2.gz IZWALIQPZRTFQV-UHFFFAOYSA-N 2 2 217.316 1.727 20 30 BDEDLP C[C@H]([NH2+]CC1(C#N)CCCCC1)C1C[NH2+]C1 ZINC000596650081 348605098 /nfs/dbraw/zinc/60/50/98/348605098.db2.gz FTYJCCNJZAHDQN-NSHDSACASA-N 2 2 221.348 1.658 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000596652023 348606088 /nfs/dbraw/zinc/60/60/88/348606088.db2.gz FFDIVEWHXTYNMT-GHMZBOCLSA-N 2 2 217.316 1.817 20 30 BDEDLP N#CCSCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599428523 349186676 /nfs/dbraw/zinc/18/66/76/349186676.db2.gz BZFNHIZBNBXSJJ-UHFFFAOYSA-N 2 2 236.344 1.415 20 30 BDEDLP N#CCSCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599428523 349186678 /nfs/dbraw/zinc/18/66/78/349186678.db2.gz BZFNHIZBNBXSJJ-UHFFFAOYSA-N 2 2 236.344 1.415 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@H+](C)CCC#N ZINC000314404828 350172566 /nfs/dbraw/zinc/17/25/66/350172566.db2.gz VENYWJHNFVQFBR-UHFFFAOYSA-N 2 2 206.293 1.198 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@@H+](C)CCC#N ZINC000314404828 350172568 /nfs/dbraw/zinc/17/25/68/350172568.db2.gz VENYWJHNFVQFBR-UHFFFAOYSA-N 2 2 206.293 1.198 20 30 BDEDLP C=C(C)C[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336675774 350437130 /nfs/dbraw/zinc/43/71/30/350437130.db2.gz VHQPIDQHYBDJTD-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336675774 350437134 /nfs/dbraw/zinc/43/71/34/350437134.db2.gz VHQPIDQHYBDJTD-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336675774 350437138 /nfs/dbraw/zinc/43/71/38/350437138.db2.gz VHQPIDQHYBDJTD-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C(C)C[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336675774 350437140 /nfs/dbraw/zinc/43/71/40/350437140.db2.gz VHQPIDQHYBDJTD-CYBMUJFWSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000336729194 351569397 /nfs/dbraw/zinc/56/93/97/351569397.db2.gz HOIOTYONPOHULR-CYBMUJFWSA-N 2 2 220.316 1.459 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cccc[nH+]1 ZINC000292670168 351604600 /nfs/dbraw/zinc/60/46/00/351604600.db2.gz DBLCSPHJOQUTCE-UHFFFAOYSA-N 2 2 203.289 1.449 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cccc[nH+]1 ZINC000292670168 351604604 /nfs/dbraw/zinc/60/46/04/351604604.db2.gz DBLCSPHJOQUTCE-UHFFFAOYSA-N 2 2 203.289 1.449 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000278259795 351754231 /nfs/dbraw/zinc/75/42/31/351754231.db2.gz NKPJWUPPFVWKQX-JHJVBQTASA-N 2 2 232.331 1.944 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336745901 352735460 /nfs/dbraw/zinc/73/54/60/352735460.db2.gz BPSMMSNSYUDJJU-NWDGAFQWSA-N 2 2 212.337 1.119 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336745901 352735464 /nfs/dbraw/zinc/73/54/64/352735464.db2.gz BPSMMSNSYUDJJU-NWDGAFQWSA-N 2 2 212.337 1.119 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336745978 352736284 /nfs/dbraw/zinc/73/62/84/352736284.db2.gz AWHJNUUXJLBPCQ-MNOVXSKESA-N 2 2 209.337 1.608 20 30 BDEDLP C=C(Cl)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746891 188397146 /nfs/dbraw/zinc/39/71/46/188397146.db2.gz UNFPOWCCFSYXCG-ZACCUICWSA-N 2 2 214.740 1.954 20 30 BDEDLP C=C(Cl)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746891 188397148 /nfs/dbraw/zinc/39/71/48/188397148.db2.gz UNFPOWCCFSYXCG-ZACCUICWSA-N 2 2 214.740 1.954 20 30 BDEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289513905 353630617 /nfs/dbraw/zinc/63/06/17/353630617.db2.gz OVUYAGZMVGGWJD-CYBMUJFWSA-N 2 2 243.354 1.657 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000289580510 353633255 /nfs/dbraw/zinc/63/32/55/353633255.db2.gz HGQNFKYRQPYHNB-JKSUJKDBSA-N 2 2 240.350 1.852 20 30 BDEDLP C#Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000289580510 353633256 /nfs/dbraw/zinc/63/32/56/353633256.db2.gz HGQNFKYRQPYHNB-JKSUJKDBSA-N 2 2 240.350 1.852 20 30 BDEDLP N#CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000343318096 353665492 /nfs/dbraw/zinc/66/54/92/353665492.db2.gz WLZPVFKBGCIUGY-ZDUSSCGKSA-N 2 2 233.359 1.708 20 30 BDEDLP N#CC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000343318096 353665493 /nfs/dbraw/zinc/66/54/93/353665493.db2.gz WLZPVFKBGCIUGY-ZDUSSCGKSA-N 2 2 233.359 1.708 20 30 BDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000135137802 181107172 /nfs/dbraw/zinc/10/71/72/181107172.db2.gz WQEMZHPBVBRQGR-UHFFFAOYSA-N 2 2 245.326 1.868 20 30 BDEDLP N#Cc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000041064073 181137710 /nfs/dbraw/zinc/13/77/10/181137710.db2.gz JZAKLFXJICDLPZ-UHFFFAOYSA-N 2 2 226.283 1.545 20 30 BDEDLP C=CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000346671743 355008233 /nfs/dbraw/zinc/00/82/33/355008233.db2.gz VHDBBDFCGAYMML-ZDUSSCGKSA-N 2 2 232.327 1.784 20 30 BDEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000346671743 355008235 /nfs/dbraw/zinc/00/82/35/355008235.db2.gz VHDBBDFCGAYMML-ZDUSSCGKSA-N 2 2 232.327 1.784 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329132620 355898574 /nfs/dbraw/zinc/89/85/74/355898574.db2.gz AUHBMAOZHMSQOL-JOYOIKCWSA-N 2 2 248.330 1.318 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329132620 355898575 /nfs/dbraw/zinc/89/85/75/355898575.db2.gz AUHBMAOZHMSQOL-JOYOIKCWSA-N 2 2 248.330 1.318 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329132620 355898576 /nfs/dbraw/zinc/89/85/76/355898576.db2.gz AUHBMAOZHMSQOL-JOYOIKCWSA-N 2 2 248.330 1.318 20 30 BDEDLP C=C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351488165 355999361 /nfs/dbraw/zinc/99/93/61/355999361.db2.gz DEFZJZYMDYJHTF-ZDUSSCGKSA-N 2 2 224.348 1.094 20 30 BDEDLP C=C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351488165 355999364 /nfs/dbraw/zinc/99/93/64/355999364.db2.gz DEFZJZYMDYJHTF-ZDUSSCGKSA-N 2 2 224.348 1.094 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)c1 ZINC000035274775 356460059 /nfs/dbraw/zinc/46/00/59/356460059.db2.gz BCNIHVJRWPSCCZ-LBPRGKRZSA-N 2 2 240.310 1.933 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333766720 134130107 /nfs/dbraw/zinc/13/01/07/134130107.db2.gz WXOPUOFVXRSGKF-AGIUHOORSA-N 2 2 244.342 1.870 20 30 BDEDLP CCNC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264149676 535423534 /nfs/dbraw/zinc/42/35/34/535423534.db2.gz YZFWZPOBKJZTQI-UHFFFAOYSA-N 2 2 245.330 1.269 20 30 BDEDLP N#CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907715 358767779 /nfs/dbraw/zinc/76/77/79/358767779.db2.gz ZWXCPYXJUBEMFV-UHFFFAOYSA-N 2 2 221.348 1.708 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079489862 359445974 /nfs/dbraw/zinc/44/59/74/359445974.db2.gz KZTIHWLAEMWFOM-CYBMUJFWSA-N 2 2 238.375 1.748 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079489862 359445978 /nfs/dbraw/zinc/44/59/78/359445978.db2.gz KZTIHWLAEMWFOM-CYBMUJFWSA-N 2 2 238.375 1.748 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079489868 359446606 /nfs/dbraw/zinc/44/66/06/359446606.db2.gz KZTIHWLAEMWFOM-ZDUSSCGKSA-N 2 2 238.375 1.748 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079489868 359446610 /nfs/dbraw/zinc/44/66/10/359446610.db2.gz KZTIHWLAEMWFOM-ZDUSSCGKSA-N 2 2 238.375 1.748 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000579344792 366763462 /nfs/dbraw/zinc/76/34/62/366763462.db2.gz MUDNXJJQWLJXDB-NWDGAFQWSA-N 2 2 220.320 1.114 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000579344792 366763467 /nfs/dbraw/zinc/76/34/67/366763467.db2.gz MUDNXJJQWLJXDB-NWDGAFQWSA-N 2 2 220.320 1.114 20 30 BDEDLP C=CC[N@@H+](C)CCN(CC)Cc1[nH+]ccn1C ZINC000429708657 201128648 /nfs/dbraw/zinc/12/86/48/201128648.db2.gz NICIRIIYMPXRIZ-UHFFFAOYSA-N 2 2 236.363 1.360 20 30 BDEDLP C=CC[N@H+](C)CCN(CC)Cc1[nH+]ccn1C ZINC000429708657 201128650 /nfs/dbraw/zinc/12/86/50/201128650.db2.gz NICIRIIYMPXRIZ-UHFFFAOYSA-N 2 2 236.363 1.360 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000404285457 369425392 /nfs/dbraw/zinc/42/53/92/369425392.db2.gz XHCXGCHSXLZLHF-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000404285457 369425396 /nfs/dbraw/zinc/42/53/96/369425396.db2.gz XHCXGCHSXLZLHF-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619717376 369546939 /nfs/dbraw/zinc/54/69/39/369546939.db2.gz FKLHAQGAOBJTDW-RYUDHWBXSA-N 2 2 249.314 1.248 20 30 BDEDLP C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619717376 369546944 /nfs/dbraw/zinc/54/69/44/369546944.db2.gz FKLHAQGAOBJTDW-RYUDHWBXSA-N 2 2 249.314 1.248 20 30 BDEDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(C#N)o1 ZINC000600767602 369562513 /nfs/dbraw/zinc/56/25/13/369562513.db2.gz BUGBQRBIYYLDFD-LLVKDONJSA-N 2 2 207.277 1.224 20 30 BDEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602549360 369811240 /nfs/dbraw/zinc/81/12/40/369811240.db2.gz UNPXYVUCPKRQEM-GFCCVEGCSA-N 2 2 244.342 1.385 20 30 BDEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602549360 369811241 /nfs/dbraw/zinc/81/12/41/369811241.db2.gz UNPXYVUCPKRQEM-GFCCVEGCSA-N 2 2 244.342 1.385 20 30 BDEDLP Cc1cc(N2CCC([NH3+])CC2)c(C#N)c[nH+]1 ZINC000075563239 370145464 /nfs/dbraw/zinc/14/54/64/370145464.db2.gz WGDUZAOMEXXWJV-UHFFFAOYSA-N 2 2 216.288 1.189 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227898 371415534 /nfs/dbraw/zinc/41/55/34/371415534.db2.gz BSZWBHZDSPBTPB-YNEHKIRRSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227898 371415539 /nfs/dbraw/zinc/41/55/39/371415539.db2.gz BSZWBHZDSPBTPB-YNEHKIRRSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334598 371485440 /nfs/dbraw/zinc/48/54/40/371485440.db2.gz CZVACYIMSBNLHX-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334598 371485441 /nfs/dbraw/zinc/48/54/41/371485441.db2.gz CZVACYIMSBNLHX-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000135200394 384174840 /nfs/dbraw/zinc/17/48/40/384174840.db2.gz ANCIQEPXQIMOJW-WDEREUQCSA-N 2 2 233.315 1.724 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000135200394 384174842 /nfs/dbraw/zinc/17/48/42/384174842.db2.gz ANCIQEPXQIMOJW-WDEREUQCSA-N 2 2 233.315 1.724 20 30 BDEDLP C=C(CC)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000313497315 384427867 /nfs/dbraw/zinc/42/78/67/384427867.db2.gz KAELQURLDGVGRQ-NWDGAFQWSA-N 2 2 212.337 1.309 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)c(F)c1 ZINC000423432529 384563121 /nfs/dbraw/zinc/56/31/21/384563121.db2.gz MKUCPZSUIFZAAA-XFOOOJQKSA-N 2 2 245.301 1.566 20 30 BDEDLP CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000151323730 385103053 /nfs/dbraw/zinc/10/30/53/385103053.db2.gz GRQCRRXEHXUDDU-UHFFFAOYSA-N 2 2 247.342 1.939 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000308857008 385220305 /nfs/dbraw/zinc/22/03/05/385220305.db2.gz RRRIFYWDRRVNLX-QWRGUYRKSA-N 2 2 204.277 1.165 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308989334 385334386 /nfs/dbraw/zinc/33/43/86/385334386.db2.gz KSGGVFUZGKKQCT-RYUDHWBXSA-N 2 2 209.337 1.608 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308989334 385334393 /nfs/dbraw/zinc/33/43/93/385334393.db2.gz KSGGVFUZGKKQCT-RYUDHWBXSA-N 2 2 209.337 1.608 20 30 BDEDLP C=CCCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000336653223 385667453 /nfs/dbraw/zinc/66/74/53/385667453.db2.gz JBBQTZSXBIHQIO-OLZOCXBDSA-N 2 2 226.364 1.699 20 30 BDEDLP N#Cc1csc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000086500133 386162899 /nfs/dbraw/zinc/16/28/99/386162899.db2.gz CXNQGWFQCKSQBO-UHFFFAOYSA-N 2 2 232.312 1.606 20 30 BDEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000336774159 386348392 /nfs/dbraw/zinc/34/83/92/386348392.db2.gz ZHTDBXUWIMDIKF-IJLUTSLNSA-N 2 2 209.337 1.608 20 30 BDEDLP CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330448632 386741014 /nfs/dbraw/zinc/74/10/14/386741014.db2.gz IQRSHQNBVHGWSX-SECBINFHSA-N 2 2 238.335 1.753 20 30 BDEDLP C=CC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425335582 386851604 /nfs/dbraw/zinc/85/16/04/386851604.db2.gz IWKGRFTUVYJWJN-UHFFFAOYSA-N 2 2 248.374 1.884 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000192608855 387008147 /nfs/dbraw/zinc/00/81/47/387008147.db2.gz FJILNAPDQUHVRE-OLZOCXBDSA-N 2 2 221.348 1.754 20 30 BDEDLP CC[N@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399544542 386993284 /nfs/dbraw/zinc/99/32/84/386993284.db2.gz AQBHRSYKTFXYFQ-UHFFFAOYSA-N 2 2 218.304 1.047 20 30 BDEDLP CC[N@@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399544542 386993287 /nfs/dbraw/zinc/99/32/87/386993287.db2.gz AQBHRSYKTFXYFQ-UHFFFAOYSA-N 2 2 218.304 1.047 20 30 BDEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423579875 387383825 /nfs/dbraw/zinc/38/38/25/387383825.db2.gz WUISJHMSMYVONO-CHWSQXEVSA-N 2 2 224.348 1.309 20 30 BDEDLP C#CC[N@@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000271723766 387447574 /nfs/dbraw/zinc/44/75/74/387447574.db2.gz KTIYFKPPENRSLV-UHFFFAOYSA-N 2 2 213.284 1.789 20 30 BDEDLP C#CC[N@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000271723766 387447578 /nfs/dbraw/zinc/44/75/78/387447578.db2.gz KTIYFKPPENRSLV-UHFFFAOYSA-N 2 2 213.284 1.789 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422863845 387747574 /nfs/dbraw/zinc/74/75/74/387747574.db2.gz SLIAXMVWFVFGHE-TZMCWYRMSA-N 3 2 237.391 1.354 20 30 BDEDLP COCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442775098 387837671 /nfs/dbraw/zinc/83/76/71/387837671.db2.gz BJXQERBVPYOSPZ-STQMWFEESA-N 2 2 239.363 1.237 20 30 BDEDLP COCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442775098 387837675 /nfs/dbraw/zinc/83/76/75/387837675.db2.gz BJXQERBVPYOSPZ-STQMWFEESA-N 2 2 239.363 1.237 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000424175626 387884076 /nfs/dbraw/zinc/88/40/76/387884076.db2.gz QDFMDSLZHOCZLS-RFGFWPKPSA-N 2 2 238.375 1.507 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000424175626 387884080 /nfs/dbraw/zinc/88/40/80/387884080.db2.gz QDFMDSLZHOCZLS-RFGFWPKPSA-N 2 2 238.375 1.507 20 30 BDEDLP C=C(C)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423158688 387939460 /nfs/dbraw/zinc/93/94/60/387939460.db2.gz WZGYFPJVGXBLMB-OLZOCXBDSA-N 2 2 224.348 1.309 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424370502 387995063 /nfs/dbraw/zinc/99/50/63/387995063.db2.gz DKDNDTYMTBOCHI-YFKTTZPYSA-N 2 2 207.321 1.266 20 30 BDEDLP C#CC[N@H+](CC#CC)CC[C@H]1CCC[NH+]1C ZINC000490900154 388259661 /nfs/dbraw/zinc/25/96/61/388259661.db2.gz TYLDIAYYQOHVJJ-CQSZACIVSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[N@@H+](CC#CC)CC[C@H]1CCC[NH+]1C ZINC000490900154 388259664 /nfs/dbraw/zinc/25/96/64/388259664.db2.gz TYLDIAYYQOHVJJ-CQSZACIVSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[NH+](CC#CC)CC[C@H]1CCC[N@@H+]1C ZINC000490900154 388259665 /nfs/dbraw/zinc/25/96/65/388259665.db2.gz TYLDIAYYQOHVJJ-CQSZACIVSA-N 2 2 218.344 1.429 20 30 BDEDLP C#CC[NH+](CC#CC)CC[C@H]1CCC[N@H+]1C ZINC000490900154 388259668 /nfs/dbraw/zinc/25/96/68/388259668.db2.gz TYLDIAYYQOHVJJ-CQSZACIVSA-N 2 2 218.344 1.429 20 30 BDEDLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000449558691 388231657 /nfs/dbraw/zinc/23/16/57/388231657.db2.gz ZHTDBXUWIMDIKF-TUAOUCFPSA-N 2 2 209.337 1.608 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000491633153 388306813 /nfs/dbraw/zinc/30/68/13/388306813.db2.gz PNBFOYRBVQPMTK-UHFFFAOYSA-N 2 2 246.358 1.389 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000491633153 388306814 /nfs/dbraw/zinc/30/68/14/388306814.db2.gz PNBFOYRBVQPMTK-UHFFFAOYSA-N 2 2 246.358 1.389 20 30 BDEDLP C=CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730492 388563567 /nfs/dbraw/zinc/56/35/67/388563567.db2.gz LZDJWQAGDUKEOL-UHFFFAOYSA-N 2 2 224.348 1.359 20 30 BDEDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423228213 388689731 /nfs/dbraw/zinc/68/97/31/388689731.db2.gz YTSAZRNRSJQVJS-SECBINFHSA-N 2 2 221.279 1.567 20 30 BDEDLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423238910 388689829 /nfs/dbraw/zinc/68/98/29/388689829.db2.gz FUFZZAXKQATAIJ-NSHDSACASA-N 2 2 217.316 1.818 20 30 BDEDLP CC#CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000119419833 134226338 /nfs/dbraw/zinc/22/63/38/134226338.db2.gz MIAZLGJVQVLBBZ-OAHLLOKOSA-N 2 2 249.402 1.112 20 30 BDEDLP CC#CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000119419833 134226339 /nfs/dbraw/zinc/22/63/39/134226339.db2.gz MIAZLGJVQVLBBZ-OAHLLOKOSA-N 2 2 249.402 1.112 20 30 BDEDLP CC(C)[NH2+]C1CC[NH+](CCOCCC#N)CC1 ZINC000339032738 135053292 /nfs/dbraw/zinc/05/32/92/135053292.db2.gz JQYUGSGJGSLSGY-UHFFFAOYSA-N 2 2 239.363 1.379 20 30 BDEDLP CN(C(=[NH2+])NCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000262224822 135117291 /nfs/dbraw/zinc/11/72/91/135117291.db2.gz LDNFSRPLICCTJH-UHFFFAOYSA-N 2 2 247.346 1.128 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335561048 136106387 /nfs/dbraw/zinc/10/63/87/136106387.db2.gz HYZNPXXRDXIYLC-SMDDNHRTSA-N 2 2 229.327 1.646 20 30 BDEDLP C=CC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364188 411480943 /nfs/dbraw/zinc/48/09/43/411480943.db2.gz WBSYEZBPKROVMT-SNVBAGLBSA-N 2 2 205.305 1.884 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852750608 588699799 /nfs/dbraw/zinc/69/97/99/588699799.db2.gz ZZUJAWBQLDLTLF-LLVKDONJSA-N 2 2 214.740 1.814 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852750608 588699800 /nfs/dbraw/zinc/69/98/00/588699800.db2.gz ZZUJAWBQLDLTLF-LLVKDONJSA-N 2 2 214.740 1.814 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000561947418 323008976 /nfs/dbraw/zinc/00/89/76/323008976.db2.gz VLBMDCVRKIBJRE-ZDUSSCGKSA-N 2 2 244.342 1.337 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000561947418 323008977 /nfs/dbraw/zinc/00/89/77/323008977.db2.gz VLBMDCVRKIBJRE-ZDUSSCGKSA-N 2 2 244.342 1.337 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC#N)C1 ZINC000536068176 323195677 /nfs/dbraw/zinc/19/56/77/323195677.db2.gz UWLNFMYROMBSPE-NSHDSACASA-N 2 2 218.304 1.513 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC#N)C1 ZINC000536068176 323195678 /nfs/dbraw/zinc/19/56/78/323195678.db2.gz UWLNFMYROMBSPE-NSHDSACASA-N 2 2 218.304 1.513 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000135160206 325398000 /nfs/dbraw/zinc/39/80/00/325398000.db2.gz PDYSEHQJGIRALZ-UHFFFAOYSA-N 2 2 244.298 1.918 20 30 BDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820579 488136594 /nfs/dbraw/zinc/13/65/94/488136594.db2.gz QPHUUKDPWRWKKR-AWEZNQCLSA-N 2 2 238.375 1.300 20 30 BDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC000677820579 488136601 /nfs/dbraw/zinc/13/66/01/488136601.db2.gz QPHUUKDPWRWKKR-AWEZNQCLSA-N 2 2 238.375 1.300 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352357921 534559402 /nfs/dbraw/zinc/55/94/02/534559402.db2.gz QQVMYRMBHQMLPH-OCCSQVGLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352357921 534559411 /nfs/dbraw/zinc/55/94/11/534559411.db2.gz QQVMYRMBHQMLPH-OCCSQVGLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352357921 534559415 /nfs/dbraw/zinc/55/94/15/534559415.db2.gz QQVMYRMBHQMLPH-OCCSQVGLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352357921 534559421 /nfs/dbraw/zinc/55/94/21/534559421.db2.gz QQVMYRMBHQMLPH-OCCSQVGLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000339024735 534879252 /nfs/dbraw/zinc/87/92/52/534879252.db2.gz YAXQTUNXLRTEDR-CQSZACIVSA-N 2 2 248.326 1.737 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000339024735 534879254 /nfs/dbraw/zinc/87/92/54/534879254.db2.gz YAXQTUNXLRTEDR-CQSZACIVSA-N 2 2 248.326 1.737 20 30 BDEDLP CC(C)[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000164691404 535162594 /nfs/dbraw/zinc/16/25/94/535162594.db2.gz WDRBVITZRAOTOH-UHFFFAOYSA-N 2 2 223.364 1.999 20 30 BDEDLP CCCC(N)=[NH+]OCCCn1cc[nH+]c1C ZINC000271240460 535224211 /nfs/dbraw/zinc/22/42/11/535224211.db2.gz YLXCHLQVLJBWCH-UHFFFAOYSA-N 2 2 224.308 1.671 20 30 BDEDLP C(=NNc1cc[nH+]cc1)c1c[nH+]c2n1CCC2 ZINC000853330281 588733546 /nfs/dbraw/zinc/73/35/46/588733546.db2.gz LSQYUZMUSPUSDJ-UHFFFAOYSA-N 2 2 227.271 1.092 20 30 BDEDLP C[C@@H]1C[NH+]=C(N[NH+]=Cc2ccc(N(C)C)cc2)N1 ZINC000779806023 582736962 /nfs/dbraw/zinc/73/69/62/582736962.db2.gz YOAPUPWWTLSRIG-SNVBAGLBSA-N 2 2 245.330 1.024 20 30 BDEDLP C=CCCC[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000900008235 584264996 /nfs/dbraw/zinc/26/49/96/584264996.db2.gz AYCWZTXTSXEJRE-VIFPVBQESA-N 2 2 236.319 1.764 20 30 BDEDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000902412757 584576355 /nfs/dbraw/zinc/57/63/55/584576355.db2.gz CYVUJHRFDWQFNV-SECBINFHSA-N 2 2 233.290 1.839 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000903299716 584743822 /nfs/dbraw/zinc/74/38/22/584743822.db2.gz DCNBGJPHYFVFBC-WISYIIOYSA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@H+]1C ZINC000903299716 584743823 /nfs/dbraw/zinc/74/38/23/584743823.db2.gz DCNBGJPHYFVFBC-WISYIIOYSA-N 2 2 207.321 1.361 20 30 BDEDLP CCC1([NH3+])CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000903947967 584829474 /nfs/dbraw/zinc/82/94/74/584829474.db2.gz JVEVWFFHRKNKHZ-UHFFFAOYSA-N 2 2 233.315 1.855 20 30 BDEDLP C[C@]1(C[N@@H+]2CCC[C@H](C#N)C2)CC[NH2+]C1 ZINC000903987835 584836266 /nfs/dbraw/zinc/83/62/66/584836266.db2.gz KYTIMYNUPGJNPK-NEPJUHHUSA-N 2 2 207.321 1.222 20 30 BDEDLP C[C@]1(C[N@H+]2CCC[C@H](C#N)C2)CC[NH2+]C1 ZINC000903987835 584836267 /nfs/dbraw/zinc/83/62/67/584836267.db2.gz KYTIMYNUPGJNPK-NEPJUHHUSA-N 2 2 207.321 1.222 20 30 BDEDLP C#C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000839020857 585087518 /nfs/dbraw/zinc/08/75/18/585087518.db2.gz KAJYAHPPRKTTFZ-HUUCEWRRSA-N 2 2 248.370 1.384 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300849794 585698701 /nfs/dbraw/zinc/69/87/01/585698701.db2.gz NOGUEGVHSOHKDZ-VIFPVBQESA-N 2 2 202.729 1.717 20 30 BDEDLP C=C(C)CN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000811650447 586562778 /nfs/dbraw/zinc/56/27/78/586562778.db2.gz ZKWHOQSYILWJJG-UHFFFAOYSA-N 2 2 218.304 1.647 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817903848 586836629 /nfs/dbraw/zinc/83/66/29/586836629.db2.gz MDXSEDOEDXBOMU-VHSXEESVSA-N 2 2 202.729 1.989 20 30 BDEDLP C=C(Cl)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000817904164 586837373 /nfs/dbraw/zinc/83/73/73/586837373.db2.gz XVUXQEHVIHOZFY-ZJUUUORDSA-N 2 2 202.729 1.859 20 30 BDEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000817953430 586848939 /nfs/dbraw/zinc/84/89/39/586848939.db2.gz OMANIWSYFPTQEA-GFCCVEGCSA-N 2 2 232.327 1.569 20 30 BDEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[NH2+]CC)cc1 ZINC000817952843 586849394 /nfs/dbraw/zinc/84/93/94/586849394.db2.gz VFILWGRQINGOGL-CYBMUJFWSA-N 2 2 246.354 1.959 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1C(C)C)[C@H]1CCCO1 ZINC000818203935 586878734 /nfs/dbraw/zinc/87/87/34/586878734.db2.gz NHBVWVLUYDXRRN-UONOGXRCSA-N 2 2 247.342 1.734 20 30 BDEDLP Cc1cc(NCC[N@H+]2CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000819919073 587002398 /nfs/dbraw/zinc/00/23/98/587002398.db2.gz HZZCPMKGYCCYII-GFCCVEGCSA-N 2 2 244.342 1.580 20 30 BDEDLP Cc1cc(NCC[N@@H+]2CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000819919073 587002401 /nfs/dbraw/zinc/00/24/01/587002401.db2.gz HZZCPMKGYCCYII-GFCCVEGCSA-N 2 2 244.342 1.580 20 30 BDEDLP C[NH+]1CCN([NH+]=C2CCc3cc(N)ccc32)CC1 ZINC000834915490 587770600 /nfs/dbraw/zinc/77/06/00/587770600.db2.gz KHKGQIXZVLUHGG-UHFFFAOYSA-N 2 2 244.342 1.167 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000840975420 587933407 /nfs/dbraw/zinc/93/34/07/587933407.db2.gz XZRYMWLKKXHUIV-OAHLLOKOSA-N 2 2 228.339 1.852 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000840975420 587933409 /nfs/dbraw/zinc/93/34/09/587933409.db2.gz XZRYMWLKKXHUIV-OAHLLOKOSA-N 2 2 228.339 1.852 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCn2ccnc21 ZINC000848551094 588396448 /nfs/dbraw/zinc/39/64/48/588396448.db2.gz CVPSVUXCIAMGRK-ZDUSSCGKSA-N 2 2 246.358 1.263 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCn2ccnc21 ZINC000848551094 588396450 /nfs/dbraw/zinc/39/64/50/588396450.db2.gz CVPSVUXCIAMGRK-ZDUSSCGKSA-N 2 2 246.358 1.263 20 30 BDEDLP C[NH+]=C(NCc1c[nH+]c2n1CCCC2)NC1CC1 ZINC000849002691 588431171 /nfs/dbraw/zinc/43/11/71/588431171.db2.gz PSHDVGSZKINSEB-UHFFFAOYSA-N 2 2 247.346 1.047 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412115 589490892 /nfs/dbraw/zinc/49/08/92/589490892.db2.gz DFVWXKYTCYIQCF-OLZOCXBDSA-N 2 2 240.391 1.776 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412115 589490894 /nfs/dbraw/zinc/49/08/94/589490894.db2.gz DFVWXKYTCYIQCF-OLZOCXBDSA-N 2 2 240.391 1.776 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)o1 ZINC000872146734 589884845 /nfs/dbraw/zinc/88/48/45/589884845.db2.gz WEHPDOITDJWXMO-RISCZKNCSA-N 2 2 245.326 1.725 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)o1 ZINC000872146734 589884846 /nfs/dbraw/zinc/88/48/46/589884846.db2.gz WEHPDOITDJWXMO-RISCZKNCSA-N 2 2 245.326 1.725 20 30 BDEDLP C=CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878135865 590504671 /nfs/dbraw/zinc/50/46/71/590504671.db2.gz QZJPOPNRNPWIRV-ZIAGYGMSSA-N 2 2 238.375 1.605 20 30 BDEDLP C=CC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878135865 590504673 /nfs/dbraw/zinc/50/46/73/590504673.db2.gz QZJPOPNRNPWIRV-ZIAGYGMSSA-N 2 2 238.375 1.605 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309142900 632646785 /nfs/dbraw/zinc/64/67/85/632646785.db2.gz UESXJVHLAHEUDM-AAEUAGOBSA-N 2 2 206.333 1.472 20 30 BDEDLP C#CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309142900 632646791 /nfs/dbraw/zinc/64/67/91/632646791.db2.gz UESXJVHLAHEUDM-AAEUAGOBSA-N 2 2 206.333 1.472 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000054182133 636048364 /nfs/dbraw/zinc/04/83/64/636048364.db2.gz PLMPWPGZIYPZQR-ODWCKFRGSA-N 2 2 221.348 1.893 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054182133 636048367 /nfs/dbraw/zinc/04/83/67/636048367.db2.gz PLMPWPGZIYPZQR-ODWCKFRGSA-N 2 2 221.348 1.893 20 30 BDEDLP CCNC(NCCCNc1cccc[nH+]1)=[NH+]CC ZINC000195522531 634364602 /nfs/dbraw/zinc/36/46/02/634364602.db2.gz RTNSQNXZOSKLFU-UHFFFAOYSA-N 2 2 249.362 1.459 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000930646862 639843506 /nfs/dbraw/zinc/84/35/06/639843506.db2.gz SOBIUSOVVCABHT-YPMHNXCESA-N 2 2 235.331 1.850 20 30 BDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCSCC#N)C[C@H]21 ZINC000931279442 640134346 /nfs/dbraw/zinc/13/43/46/640134346.db2.gz IUDGGKMROSFDPT-GDNZZTSVSA-N 2 2 239.388 1.125 20 30 BDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCSCC#N)C[C@H]21 ZINC000931279442 640134351 /nfs/dbraw/zinc/13/43/51/640134351.db2.gz IUDGGKMROSFDPT-GDNZZTSVSA-N 2 2 239.388 1.125 20 30 BDEDLP CC#CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311779 640147666 /nfs/dbraw/zinc/14/76/66/640147666.db2.gz SUUPZKUINNGBKW-BETUJISGSA-N 2 2 206.333 1.283 20 30 BDEDLP CC#CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311779 640147670 /nfs/dbraw/zinc/14/76/70/640147670.db2.gz SUUPZKUINNGBKW-BETUJISGSA-N 2 2 206.333 1.283 20 30 BDEDLP CC#CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931311779 640147677 /nfs/dbraw/zinc/14/76/77/640147677.db2.gz SUUPZKUINNGBKW-BETUJISGSA-N 2 2 206.333 1.283 20 30 BDEDLP CC#CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931311779 640147681 /nfs/dbraw/zinc/14/76/81/640147681.db2.gz SUUPZKUINNGBKW-BETUJISGSA-N 2 2 206.333 1.283 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518094 640246860 /nfs/dbraw/zinc/24/68/60/640246860.db2.gz HFVBAEULTMLKFR-GHMZBOCLSA-N 2 2 242.326 1.714 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518094 640246865 /nfs/dbraw/zinc/24/68/65/640246865.db2.gz HFVBAEULTMLKFR-GHMZBOCLSA-N 2 2 242.326 1.714 20 30 BDEDLP C=CCSCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000231930247 641217964 /nfs/dbraw/zinc/21/79/64/641217964.db2.gz XOSBGZUBCOJMJK-VXGBXAGGSA-N 2 2 244.404 1.262 20 30 BDEDLP NC(=[NH2+])N[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000915051203 641795709 /nfs/dbraw/zinc/79/57/09/641795709.db2.gz XEZBSDOAQRJZPL-UHFFFAOYSA-N 2 2 245.330 1.494 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530453 644487877 /nfs/dbraw/zinc/48/78/77/644487877.db2.gz IXWRDGZQYTYKTD-KGLIPLIRSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530453 644487880 /nfs/dbraw/zinc/48/78/80/644487880.db2.gz IXWRDGZQYTYKTD-KGLIPLIRSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925714931 646438957 /nfs/dbraw/zinc/43/89/57/646438957.db2.gz ZNALZHMEHYXJCS-MCIONIFRSA-N 2 2 238.375 1.699 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000381789155 710715514 /nfs/dbraw/zinc/71/55/14/710715514.db2.gz ZQAPVEYHICNOSA-VXGBXAGGSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000381789155 710715516 /nfs/dbraw/zinc/71/55/16/710715516.db2.gz ZQAPVEYHICNOSA-VXGBXAGGSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000390444421 711118056 /nfs/dbraw/zinc/11/80/56/711118056.db2.gz WVQPHVWSNVRRNQ-RYUDHWBXSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000390444421 711118057 /nfs/dbraw/zinc/11/80/57/711118057.db2.gz WVQPHVWSNVRRNQ-RYUDHWBXSA-N 2 2 223.364 1.856 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(C)cs1 ZINC000392928739 711155154 /nfs/dbraw/zinc/15/51/54/711155154.db2.gz JFCMBRHBYHSUMU-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(C)cs1 ZINC000392928739 711155158 /nfs/dbraw/zinc/15/51/58/711155158.db2.gz JFCMBRHBYHSUMU-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)(C)C ZINC000719170946 712799311 /nfs/dbraw/zinc/79/93/11/712799311.db2.gz HTCOPHCHUMSIMH-GFCCVEGCSA-N 2 2 231.343 1.967 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252624786 968884834 /nfs/dbraw/zinc/88/48/34/968884834.db2.gz LYKRVOBYSVTUFP-LBPRGKRZSA-N 2 2 236.315 1.377 20 30 BDEDLP CCCCCCC[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234973608 978940418 /nfs/dbraw/zinc/94/04/18/978940418.db2.gz HYAKASCSXVDNLI-CQSZACIVSA-N 2 2 239.407 1.546 20 30 BDEDLP CCCCCCC[N@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234973608 978940425 /nfs/dbraw/zinc/94/04/25/978940425.db2.gz HYAKASCSXVDNLI-CQSZACIVSA-N 2 2 239.407 1.546 20 30 BDEDLP C=CCO[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC001329742950 973904147 /nfs/dbraw/zinc/90/41/47/973904147.db2.gz LRJFXUGCTFBHBF-CPCZMJQVSA-N 2 2 222.332 1.015 20 30 BDEDLP C=CCO[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC001329742950 973904162 /nfs/dbraw/zinc/90/41/62/973904162.db2.gz LRJFXUGCTFBHBF-CPCZMJQVSA-N 2 2 222.332 1.015 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405825178 971312435 /nfs/dbraw/zinc/31/24/35/971312435.db2.gz LLYRDMIIYORJOL-CQSZACIVSA-N 2 2 229.327 1.790 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405825178 971312442 /nfs/dbraw/zinc/31/24/42/971312442.db2.gz LLYRDMIIYORJOL-CQSZACIVSA-N 2 2 229.327 1.790 20 30 BDEDLP C[C@H](CC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC000697860300 964572135 /nfs/dbraw/zinc/57/21/35/964572135.db2.gz VHNYUIGKZIJHOP-CQSZACIVSA-N 2 2 230.355 1.968 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162797130 965187128 /nfs/dbraw/zinc/18/71/28/965187128.db2.gz IZLYPMOPANUTAI-RWMBFGLXSA-N 2 2 240.310 1.334 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162797128 965188296 /nfs/dbraw/zinc/18/82/96/965188296.db2.gz IZLYPMOPANUTAI-FRRDWIJNSA-N 2 2 240.310 1.334 20 30 BDEDLP C=CCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001204953593 967255061 /nfs/dbraw/zinc/25/50/61/967255061.db2.gz BLLKUDABPJDYGS-KBPBESRZSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001204953593 967255075 /nfs/dbraw/zinc/25/50/75/967255075.db2.gz BLLKUDABPJDYGS-KBPBESRZSA-N 2 2 240.391 1.907 20 30 BDEDLP C#Cc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206730744 968448140 /nfs/dbraw/zinc/44/81/40/968448140.db2.gz XZOAORXNLRFZAP-UHFFFAOYSA-N 2 2 214.312 1.449 20 30 BDEDLP N#C[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207439654 968776394 /nfs/dbraw/zinc/77/63/94/968776394.db2.gz XPTMTNRSZSCFCL-LBPRGKRZSA-N 2 2 207.321 1.364 20 30 BDEDLP N#C[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207439654 968776400 /nfs/dbraw/zinc/77/64/00/968776400.db2.gz XPTMTNRSZSCFCL-LBPRGKRZSA-N 2 2 207.321 1.364 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[NH+](C)C ZINC000829179716 968822423 /nfs/dbraw/zinc/82/24/23/968822423.db2.gz OLIPFUYFXMELGV-GHMZBOCLSA-N 2 2 211.353 1.854 20 30 BDEDLP C=C[C@@H](O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001253585762 969269925 /nfs/dbraw/zinc/26/99/25/969269925.db2.gz BVXLARROUVOVKB-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=C[C@@H](O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001253585762 969269936 /nfs/dbraw/zinc/26/99/36/969269936.db2.gz BVXLARROUVOVKB-CYBMUJFWSA-N 2 2 226.364 1.338 20 30 BDEDLP C=C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253598755 969291569 /nfs/dbraw/zinc/29/15/69/969291569.db2.gz XLWCZQCNKUWILW-AWEZNQCLSA-N 2 2 243.310 1.509 20 30 BDEDLP C=C[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001253603193 969298655 /nfs/dbraw/zinc/29/86/55/969298655.db2.gz SHYBSOJPFDKYHN-CYBMUJFWSA-N 2 2 247.342 1.187 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001169081530 969405335 /nfs/dbraw/zinc/40/53/35/969405335.db2.gz SJQXHMRVXFPAJE-XYYAHUGASA-N 2 2 233.359 1.895 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001169081530 969405341 /nfs/dbraw/zinc/40/53/41/969405341.db2.gz SJQXHMRVXFPAJE-XYYAHUGASA-N 2 2 233.359 1.895 20 30 BDEDLP N#C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209731530 969592453 /nfs/dbraw/zinc/59/24/53/969592453.db2.gz SKRGETVOBIBNLI-LLVKDONJSA-N 2 2 230.315 1.620 20 30 BDEDLP N#C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209731530 969592465 /nfs/dbraw/zinc/59/24/65/969592465.db2.gz SKRGETVOBIBNLI-LLVKDONJSA-N 2 2 230.315 1.620 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@H](C#N)C2)CC1 ZINC001254526723 969723888 /nfs/dbraw/zinc/72/38/88/969723888.db2.gz UBRVLZWHPJJUOD-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H](C#N)C2)CC1 ZINC001254526723 969723896 /nfs/dbraw/zinc/72/38/96/969723896.db2.gz UBRVLZWHPJJUOD-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001254526723 969723902 /nfs/dbraw/zinc/72/39/02/969723902.db2.gz UBRVLZWHPJJUOD-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](C#N)C2)CC1 ZINC001254526723 969723914 /nfs/dbraw/zinc/72/39/14/969723914.db2.gz UBRVLZWHPJJUOD-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C(C)(C)CC[NH+](C)C ZINC001255155285 969964005 /nfs/dbraw/zinc/96/40/05/969964005.db2.gz OQDKRYPADHCZSY-LLVKDONJSA-N 2 2 211.353 1.999 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552174 972736162 /nfs/dbraw/zinc/73/61/62/972736162.db2.gz VVTCIKMFKOUGBC-LALPHHSUSA-N 2 2 243.354 1.911 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552174 972736171 /nfs/dbraw/zinc/73/61/71/972736171.db2.gz VVTCIKMFKOUGBC-LALPHHSUSA-N 2 2 243.354 1.911 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113883 974380327 /nfs/dbraw/zinc/38/03/27/974380327.db2.gz KBOIYJKHBVGOCU-ZDEQEGDKSA-N 2 2 221.348 1.893 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113883 974380332 /nfs/dbraw/zinc/38/03/32/974380332.db2.gz KBOIYJKHBVGOCU-ZDEQEGDKSA-N 2 2 221.348 1.893 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]CCc1[nH+]ccn1C ZINC001172487633 974831590 /nfs/dbraw/zinc/83/15/90/974831590.db2.gz CSUIUWGETIAJNS-LLVKDONJSA-N 2 2 220.320 1.635 20 30 BDEDLP N#CCc1ccccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236251461 979470601 /nfs/dbraw/zinc/47/06/01/979470601.db2.gz UQBOCIPXYCXLJD-CQSZACIVSA-N 2 2 229.327 1.676 20 30 BDEDLP N#CCc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236251461 979470612 /nfs/dbraw/zinc/47/06/12/979470612.db2.gz UQBOCIPXYCXLJD-CQSZACIVSA-N 2 2 229.327 1.676 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001252619496 983855015 /nfs/dbraw/zinc/85/50/15/983855015.db2.gz MEYXGYOZAKHCLG-UONOGXRCSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001252619496 983855020 /nfs/dbraw/zinc/85/50/20/983855020.db2.gz MEYXGYOZAKHCLG-UONOGXRCSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CCC[C@@H](CCC)[NH2+]CC1(O)C[NH2+]C1 ZINC001574901766 984120853 /nfs/dbraw/zinc/12/08/53/984120853.db2.gz QQMVIUQLXAPQGO-LLVKDONJSA-N 2 2 212.337 1.045 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC001580080849 986520045 /nfs/dbraw/zinc/52/00/45/986520045.db2.gz ISYSPYMPRUHLCR-LBPRGKRZSA-N 2 2 230.315 1.124 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC001580080849 986520065 /nfs/dbraw/zinc/52/00/65/986520065.db2.gz ISYSPYMPRUHLCR-LBPRGKRZSA-N 2 2 230.315 1.124 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254675504 986727750 /nfs/dbraw/zinc/72/77/50/986727750.db2.gz FWDAIOAGHPJMFA-CHWSQXEVSA-N 2 2 232.331 1.897 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254675504 986727760 /nfs/dbraw/zinc/72/77/60/986727760.db2.gz FWDAIOAGHPJMFA-CHWSQXEVSA-N 2 2 232.331 1.897 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001254679255 986727914 /nfs/dbraw/zinc/72/79/14/986727914.db2.gz KFUGWCCKXIZXRF-TZMCWYRMSA-N 2 2 233.359 1.849 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246099641 987417987 /nfs/dbraw/zinc/41/79/87/987417987.db2.gz RRDRTIJNIFEWSP-IJLUTSLNSA-N 2 2 209.337 1.656 20 30 BDEDLP N#Cc1coc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246483005 987840321 /nfs/dbraw/zinc/84/03/21/987840321.db2.gz JBIRSKQEIROSOB-FOSCPWQOSA-N 2 2 231.299 1.524 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]C2(CC#N)CCCC2)CC[NH2+]1 ZINC001246527178 987881410 /nfs/dbraw/zinc/88/14/10/987881410.db2.gz RVBHAMUZOBLDBA-NWDGAFQWSA-N 2 2 221.348 1.943 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001118091044 988013238 /nfs/dbraw/zinc/01/32/38/988013238.db2.gz QYDWXLWXIFHHBA-RYUDHWBXSA-N 2 2 243.314 1.231 20 30 BDEDLP CC1(C#N)CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923287 988737203 /nfs/dbraw/zinc/73/72/03/988737203.db2.gz XSEQSJGCBNCJJI-CQLXCSJHSA-N 2 2 219.332 1.362 20 30 BDEDLP CC1(C#N)CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923287 988737214 /nfs/dbraw/zinc/73/72/14/988737214.db2.gz XSEQSJGCBNCJJI-CQLXCSJHSA-N 2 2 219.332 1.362 20 30 BDEDLP C=CCCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000576345480 365572306 /nfs/dbraw/zinc/57/23/06/365572306.db2.gz SSFYOLNIMDSIJU-UHFFFAOYSA-N 2 2 248.374 1.898 20 30 BDEDLP N#CCCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330367007 342786212 /nfs/dbraw/zinc/78/62/12/342786212.db2.gz IYWMNOTVSHFIHR-UHFFFAOYSA-N 2 2 247.346 1.221 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000602570399 349620991 /nfs/dbraw/zinc/62/09/91/349620991.db2.gz TYPIHGYBHFVLFE-MBNYWOFBSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000602570399 349620993 /nfs/dbraw/zinc/62/09/93/349620993.db2.gz TYPIHGYBHFVLFE-MBNYWOFBSA-N 2 2 235.375 1.999 20 30 BDEDLP C=CCOCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000382154095 398307716 /nfs/dbraw/zinc/30/77/16/398307716.db2.gz QQKWTNACYUWOSA-ZDUSSCGKSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCOCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000382154095 398307719 /nfs/dbraw/zinc/30/77/19/398307719.db2.gz QQKWTNACYUWOSA-ZDUSSCGKSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313261168 259332000 /nfs/dbraw/zinc/33/20/00/259332000.db2.gz ISFNFWJIUYGWSX-NSHDSACASA-N 2 2 207.321 1.907 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)CC1(CC#N)CC1 ZINC000602798682 349739597 /nfs/dbraw/zinc/73/95/97/349739597.db2.gz NTBKBGARATYLAR-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC1(CC#N)CC1 ZINC000602798682 349739602 /nfs/dbraw/zinc/73/96/02/349739602.db2.gz NTBKBGARATYLAR-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349339434 136342041 /nfs/dbraw/zinc/34/20/41/136342041.db2.gz CPIKYRGKVVYUPG-UHXUPSOCSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349339434 136342042 /nfs/dbraw/zinc/34/20/42/136342042.db2.gz CPIKYRGKVVYUPG-UHXUPSOCSA-N 2 2 233.359 1.751 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C#N ZINC000602979847 349843983 /nfs/dbraw/zinc/84/39/83/349843983.db2.gz IJZQOOITLSJBCP-QWHCGFSZSA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C#N ZINC000602979847 349843986 /nfs/dbraw/zinc/84/39/86/349843986.db2.gz IJZQOOITLSJBCP-QWHCGFSZSA-N 2 2 232.331 1.897 20 30 BDEDLP C=CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544613 343931539 /nfs/dbraw/zinc/93/15/39/343931539.db2.gz STFPRUJJDRRPHD-UHFFFAOYSA-N 2 2 224.348 1.359 20 30 BDEDLP Cc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)c(C#N)c[nH+]1 ZINC000425243686 192085175 /nfs/dbraw/zinc/08/51/75/192085175.db2.gz FQMSYCDSDLARNF-AAEUAGOBSA-N 2 2 244.342 1.578 20 30 BDEDLP Cc1cc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c(C#N)c[nH+]1 ZINC000425243686 192085177 /nfs/dbraw/zinc/08/51/77/192085177.db2.gz FQMSYCDSDLARNF-AAEUAGOBSA-N 2 2 244.342 1.578 20 30 BDEDLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](C#N)CCC#N ZINC000577216924 365885497 /nfs/dbraw/zinc/88/54/97/365885497.db2.gz ZDNAZODWMJANNU-NWDGAFQWSA-N 2 2 222.336 1.360 20 30 BDEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)C1C[NH2+]C1 ZINC000591570881 347675887 /nfs/dbraw/zinc/67/58/87/347675887.db2.gz ZZUZIHYDUSIGNF-VIFPVBQESA-N 2 2 233.290 1.395 20 30 BDEDLP N#CCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000591723821 347688865 /nfs/dbraw/zinc/68/88/65/347688865.db2.gz BKFOUYCOXVYAGL-UHFFFAOYSA-N 2 2 240.310 1.935 20 30 BDEDLP N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000592491423 347787830 /nfs/dbraw/zinc/78/78/30/347787830.db2.gz JTYBQFPSSKKYGK-CQSZACIVSA-N 2 2 244.342 1.657 20 30 BDEDLP N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000592491423 347787832 /nfs/dbraw/zinc/78/78/32/347787832.db2.gz JTYBQFPSSKKYGK-CQSZACIVSA-N 2 2 244.342 1.657 20 30 BDEDLP Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc[nH+]1 ZINC000594446563 348055625 /nfs/dbraw/zinc/05/56/25/348055625.db2.gz VENGWKQGFSUZPB-LBPRGKRZSA-N 2 2 246.314 1.162 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955713 348149043 /nfs/dbraw/zinc/14/90/43/348149043.db2.gz SPSNBFJGSGEZFO-IUODEOHRSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955713 348149045 /nfs/dbraw/zinc/14/90/45/348149045.db2.gz SPSNBFJGSGEZFO-IUODEOHRSA-N 2 2 243.354 1.640 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595712099 348323887 /nfs/dbraw/zinc/32/38/87/348323887.db2.gz FTDOGDDCSDNOFQ-NSHDSACASA-N 2 2 232.331 1.958 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595712099 348323890 /nfs/dbraw/zinc/32/38/90/348323890.db2.gz FTDOGDDCSDNOFQ-NSHDSACASA-N 2 2 232.331 1.958 20 30 BDEDLP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)C#N ZINC000595817843 348344937 /nfs/dbraw/zinc/34/49/37/348344937.db2.gz PNORPCQIDPMQCF-LLVKDONJSA-N 2 2 220.320 1.816 20 30 BDEDLP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)C#N ZINC000595817843 348344940 /nfs/dbraw/zinc/34/49/40/348344940.db2.gz PNORPCQIDPMQCF-LLVKDONJSA-N 2 2 220.320 1.816 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000596654184 348607981 /nfs/dbraw/zinc/60/79/81/348607981.db2.gz HKWLSDUHIMMMSV-IINYFYTJSA-N 2 2 229.327 1.743 20 30 BDEDLP C[C@@H](CC#N)[NH2+]CCC[NH+]1CCCCC1 ZINC000308850164 348854979 /nfs/dbraw/zinc/85/49/79/348854979.db2.gz NZEJGSIXZRCMQT-LBPRGKRZSA-N 2 2 209.337 1.754 20 30 BDEDLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336742587 350491704 /nfs/dbraw/zinc/49/17/04/350491704.db2.gz XCXCIPFKKZVKJK-WOPDTQHZSA-N 2 2 209.337 1.608 20 30 BDEDLP C=CC[N@@H+](C)CCN(CC)Cc1c[nH+]cn1C ZINC000411638147 191201276 /nfs/dbraw/zinc/20/12/76/191201276.db2.gz GZWMEMJZIQVOPL-UHFFFAOYSA-N 2 2 236.363 1.360 20 30 BDEDLP C=CC[N@H+](C)CCN(CC)Cc1c[nH+]cn1C ZINC000411638147 191201277 /nfs/dbraw/zinc/20/12/77/191201277.db2.gz GZWMEMJZIQVOPL-UHFFFAOYSA-N 2 2 236.363 1.360 20 30 BDEDLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C#N)CC1 ZINC000415139645 352587050 /nfs/dbraw/zinc/58/70/50/352587050.db2.gz LZUMWYMOZWEKQC-GFCCVEGCSA-N 2 2 209.337 1.595 20 30 BDEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@H+](C)C1CC1 ZINC000336757905 353163665 /nfs/dbraw/zinc/16/36/65/353163665.db2.gz ZGFDGOCSRDRHMZ-GRYCIOLGSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000336757905 353163669 /nfs/dbraw/zinc/16/36/69/353163669.db2.gz ZGFDGOCSRDRHMZ-GRYCIOLGSA-N 2 2 221.348 1.751 20 30 BDEDLP C#CC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267398143 188260625 /nfs/dbraw/zinc/26/06/25/188260625.db2.gz QCFTXMDJJCIJHF-UHFFFAOYSA-N 2 2 240.310 1.722 20 30 BDEDLP C#CC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267398143 188260627 /nfs/dbraw/zinc/26/06/27/188260627.db2.gz QCFTXMDJJCIJHF-UHFFFAOYSA-N 2 2 240.310 1.722 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336780401 353587709 /nfs/dbraw/zinc/58/77/09/353587709.db2.gz RFXOCPWGTUDBRO-CHWSQXEVSA-N 2 2 226.364 1.509 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336780401 353587713 /nfs/dbraw/zinc/58/77/13/353587713.db2.gz RFXOCPWGTUDBRO-CHWSQXEVSA-N 2 2 226.364 1.509 20 30 BDEDLP C=CC[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000184281769 353635760 /nfs/dbraw/zinc/63/57/60/353635760.db2.gz BPXBDYVZUMCCDR-NSHDSACASA-N 2 2 231.299 1.361 20 30 BDEDLP N#Cc1cccc(C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000054765012 181137538 /nfs/dbraw/zinc/13/75/38/181137538.db2.gz HLLHHCWJXIAOQA-UHFFFAOYSA-N 2 2 212.256 1.571 20 30 BDEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000346671742 355008166 /nfs/dbraw/zinc/00/81/66/355008166.db2.gz VHDBBDFCGAYMML-CYBMUJFWSA-N 2 2 232.327 1.784 20 30 BDEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000346671742 355008168 /nfs/dbraw/zinc/00/81/68/355008168.db2.gz VHDBBDFCGAYMML-CYBMUJFWSA-N 2 2 232.327 1.784 20 30 BDEDLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330232267 356189234 /nfs/dbraw/zinc/18/92/34/356189234.db2.gz RMSZUZBIKPQOMW-LLVKDONJSA-N 2 2 248.330 1.536 20 30 BDEDLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330232267 356189236 /nfs/dbraw/zinc/18/92/36/356189236.db2.gz RMSZUZBIKPQOMW-LLVKDONJSA-N 2 2 248.330 1.536 20 30 BDEDLP CCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000264098487 535423118 /nfs/dbraw/zinc/42/31/18/535423118.db2.gz NDBHGRPCQNQAJW-CYBMUJFWSA-N 2 2 248.374 1.522 20 30 BDEDLP C#CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835860 359225487 /nfs/dbraw/zinc/22/54/87/359225487.db2.gz XFWCVLRLCPLKLI-CYBMUJFWSA-N 2 2 206.333 1.427 20 30 BDEDLP C#CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835860 359225491 /nfs/dbraw/zinc/22/54/91/359225491.db2.gz XFWCVLRLCPLKLI-CYBMUJFWSA-N 2 2 206.333 1.427 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000580445535 359562621 /nfs/dbraw/zinc/56/26/21/359562621.db2.gz FSHMWDDNVCVEAF-GFCCVEGCSA-N 2 2 248.330 1.140 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000580445535 359562626 /nfs/dbraw/zinc/56/26/26/359562626.db2.gz FSHMWDDNVCVEAF-GFCCVEGCSA-N 2 2 248.330 1.140 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000379642968 359575484 /nfs/dbraw/zinc/57/54/84/359575484.db2.gz WDRPIZBRCOIMAQ-LBPRGKRZSA-N 2 2 234.347 1.234 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1C1CC1 ZINC000430031885 201138947 /nfs/dbraw/zinc/13/89/47/201138947.db2.gz AFUKYXJQOWYPOU-RYUDHWBXSA-N 2 2 233.359 1.895 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1C1CC1 ZINC000430031885 201138951 /nfs/dbraw/zinc/13/89/51/201138951.db2.gz AFUKYXJQOWYPOU-RYUDHWBXSA-N 2 2 233.359 1.895 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)o1 ZINC000600769449 364026350 /nfs/dbraw/zinc/02/63/50/364026350.db2.gz NHURBANLJNRXHU-GWCFXTLKSA-N 2 2 231.299 1.335 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)o1 ZINC000600769449 364026353 /nfs/dbraw/zinc/02/63/53/364026353.db2.gz NHURBANLJNRXHU-GWCFXTLKSA-N 2 2 231.299 1.335 20 30 BDEDLP C=CCCOCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386077832 367909794 /nfs/dbraw/zinc/90/97/94/367909794.db2.gz GKAFDJFMUMQVNM-CHWSQXEVSA-N 2 2 226.364 1.699 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386145321 367919947 /nfs/dbraw/zinc/91/99/47/367919947.db2.gz RCOLSGLWUAKOCB-STQMWFEESA-N 2 2 226.364 1.699 20 30 BDEDLP C[C@@H](C#N)C[NH+](C)C/C=C/C[N@@H+](C)C[C@H](C)C#N ZINC000066471080 368649808 /nfs/dbraw/zinc/64/98/08/368649808.db2.gz OCWHUVGUIZYQGE-DLPZHFSESA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H](C#N)C[NH+](C)C/C=C/C[N@H+](C)C[C@H](C)C#N ZINC000066471080 368649810 /nfs/dbraw/zinc/64/98/10/368649810.db2.gz OCWHUVGUIZYQGE-DLPZHFSESA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](C)C/C=C/C[NH+](C)C[C@H](C)C#N ZINC000066471080 368649811 /nfs/dbraw/zinc/64/98/11/368649811.db2.gz OCWHUVGUIZYQGE-DLPZHFSESA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H](C#N)C[N@H+](C)C/C=C/C[NH+](C)C[C@H](C)C#N ZINC000066471080 368649814 /nfs/dbraw/zinc/64/98/14/368649814.db2.gz OCWHUVGUIZYQGE-DLPZHFSESA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459731995 203343594 /nfs/dbraw/zinc/34/35/94/203343594.db2.gz OCDNSAFJVORWFX-GHMZBOCLSA-N 2 2 209.337 1.466 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459731995 203343596 /nfs/dbraw/zinc/34/35/96/203343596.db2.gz OCDNSAFJVORWFX-GHMZBOCLSA-N 2 2 209.337 1.466 20 30 BDEDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600769481 369563829 /nfs/dbraw/zinc/56/38/29/369563829.db2.gz NIOYOHVSXQWHLC-SNVBAGLBSA-N 2 2 221.304 1.758 20 30 BDEDLP CC1(C)[C@H]([NH2+]Cc2ccncc2C#N)C[C@@H]1[NH3+] ZINC000603434873 369966137 /nfs/dbraw/zinc/96/61/37/369966137.db2.gz TYSGRNGTVDDNPM-NWDGAFQWSA-N 2 2 230.315 1.169 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311057773 370383414 /nfs/dbraw/zinc/38/34/14/370383414.db2.gz HWPYEYAEXGCCNW-CABCVRRESA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311057773 370383417 /nfs/dbraw/zinc/38/34/17/370383417.db2.gz HWPYEYAEXGCCNW-CABCVRRESA-N 2 2 241.338 1.742 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227896 371414965 /nfs/dbraw/zinc/41/49/65/371414965.db2.gz BSZWBHZDSPBTPB-JHJVBQTASA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227896 371414973 /nfs/dbraw/zinc/41/49/73/371414973.db2.gz BSZWBHZDSPBTPB-JHJVBQTASA-N 2 2 226.364 1.243 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000335024793 384011733 /nfs/dbraw/zinc/01/17/33/384011733.db2.gz FETPDNVALSRHTG-QWHCGFSZSA-N 2 2 233.290 1.667 20 30 BDEDLP CCCNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000104192046 384811220 /nfs/dbraw/zinc/81/12/20/384811220.db2.gz SIMYVVWQNAHDOX-UHFFFAOYSA-N 2 2 249.362 1.588 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000280915800 386359448 /nfs/dbraw/zinc/35/94/48/386359448.db2.gz FYXCLYJINANTAB-NSHDSACASA-N 2 2 234.347 1.711 20 30 BDEDLP O=C(NCC[NH+]1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328965801 386666271 /nfs/dbraw/zinc/66/62/71/386666271.db2.gz SIAIEPPPLTWZDG-LLVKDONJSA-N 2 2 248.330 1.108 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752530 386830595 /nfs/dbraw/zinc/83/05/95/386830595.db2.gz GUZKSWHOHYIFEN-AAEUAGOBSA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752530 386830605 /nfs/dbraw/zinc/83/06/05/386830605.db2.gz GUZKSWHOHYIFEN-AAEUAGOBSA-N 2 2 233.359 1.753 20 30 BDEDLP C[NH2+]C(C)(C)CNC(=O)Nc1cc[nH+]cc1C ZINC000330697621 386835821 /nfs/dbraw/zinc/83/58/21/386835821.db2.gz VOVMESSPAXGBPH-UHFFFAOYSA-N 2 2 236.319 1.136 20 30 BDEDLP C=CC[C@@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000393755048 387103221 /nfs/dbraw/zinc/10/32/21/387103221.db2.gz WFMUQQBWIXUPIC-LLVKDONJSA-N 2 2 236.363 1.930 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000514938396 387318882 /nfs/dbraw/zinc/31/88/82/387318882.db2.gz BHTVYJDLQNZNGA-SWLSCSKDSA-N 2 2 243.354 1.840 20 30 BDEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423522390 387352432 /nfs/dbraw/zinc/35/24/32/387352432.db2.gz LYCHBDCEGIBUFP-RYUDHWBXSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423017182 387840157 /nfs/dbraw/zinc/84/01/57/387840157.db2.gz VSWLMEJNWVNUOG-NEPJUHHUSA-N 2 2 212.337 1.167 20 30 BDEDLP C=CCCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423045599 387854896 /nfs/dbraw/zinc/85/48/96/387854896.db2.gz CHZZBRAKOVFFDW-KBPBESRZSA-N 2 2 238.375 1.699 20 30 BDEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000582660206 387868348 /nfs/dbraw/zinc/86/83/48/387868348.db2.gz ARAGCYZFWZEXSZ-MGPQQGTHSA-N 2 2 248.374 1.892 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423151397 387930782 /nfs/dbraw/zinc/93/07/82/387930782.db2.gz KDHJDWLMMGZTEF-CHWSQXEVSA-N 2 2 238.375 1.555 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000453357528 388058549 /nfs/dbraw/zinc/05/85/49/388058549.db2.gz ONUGNLKPTVCCSX-LOWDOPEQSA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000453357528 388058553 /nfs/dbraw/zinc/05/85/53/388058553.db2.gz ONUGNLKPTVCCSX-LOWDOPEQSA-N 2 2 224.348 1.260 20 30 BDEDLP N#Cc1csc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000093492036 256637194 /nfs/dbraw/zinc/63/71/94/256637194.db2.gz JRPHAMCDWOERDG-UHFFFAOYSA-N 2 2 246.339 1.996 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccncc1F ZINC000491118056 388270580 /nfs/dbraw/zinc/27/05/80/388270580.db2.gz BHCXOGJWIRIMFL-LBPRGKRZSA-N 2 2 249.333 1.826 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccncc1F ZINC000491118056 388270581 /nfs/dbraw/zinc/27/05/81/388270581.db2.gz BHCXOGJWIRIMFL-LBPRGKRZSA-N 2 2 249.333 1.826 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248746679 388692038 /nfs/dbraw/zinc/69/20/38/388692038.db2.gz BDLLVJFRCBJIMW-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248746679 388692039 /nfs/dbraw/zinc/69/20/39/388692039.db2.gz BDLLVJFRCBJIMW-JHJVBQTASA-N 2 2 221.348 1.753 20 30 BDEDLP Cc1cc(NCCC[C@H]2CCC[NH2+]2)c(C#N)c[nH+]1 ZINC000424416504 388697290 /nfs/dbraw/zinc/69/72/90/388697290.db2.gz VIJNQVVEBXUWCH-CYBMUJFWSA-N 2 2 244.342 1.628 20 30 BDEDLP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C#N)c[nH+]1 ZINC000333232619 132309965 /nfs/dbraw/zinc/30/99/65/132309965.db2.gz CJCXPPIUXBKDOL-YPMHNXCESA-N 2 2 242.326 1.307 20 30 BDEDLP C#CC[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371352198 134228455 /nfs/dbraw/zinc/22/84/55/134228455.db2.gz FOEYQQHOVPTEFY-UHFFFAOYSA-N 2 2 243.354 1.611 20 30 BDEDLP C#CC[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371352198 134228456 /nfs/dbraw/zinc/22/84/56/134228456.db2.gz FOEYQQHOVPTEFY-UHFFFAOYSA-N 2 2 243.354 1.611 20 30 BDEDLP CN(C)C(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000170905642 134878704 /nfs/dbraw/zinc/87/87/04/134878704.db2.gz KQJJASBACMRNJY-LBPRGKRZSA-N 2 2 234.347 1.166 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000339024733 135052775 /nfs/dbraw/zinc/05/27/75/135052775.db2.gz YAXQTUNXLRTEDR-AWEZNQCLSA-N 2 2 248.326 1.737 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000339024733 135052777 /nfs/dbraw/zinc/05/27/77/135052777.db2.gz YAXQTUNXLRTEDR-AWEZNQCLSA-N 2 2 248.326 1.737 20 30 BDEDLP CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267034471 135150661 /nfs/dbraw/zinc/15/06/61/135150661.db2.gz WTXHDEIAPNKQNM-UHFFFAOYSA-N 2 2 221.304 1.405 20 30 BDEDLP C[C@@H](CC#N)[N@H+](C)CCc1c[nH+]cn1C ZINC000347742886 136010693 /nfs/dbraw/zinc/01/06/93/136010693.db2.gz DQRYNFLBSGIXMF-JTQLQIEISA-N 2 2 206.293 1.197 20 30 BDEDLP C[C@@H](CC#N)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347742886 136010694 /nfs/dbraw/zinc/01/06/94/136010694.db2.gz DQRYNFLBSGIXMF-JTQLQIEISA-N 2 2 206.293 1.197 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537985 397920036 /nfs/dbraw/zinc/92/00/36/397920036.db2.gz WACBRIFKIXWJDB-WYUUTHIRSA-N 2 2 214.328 1.877 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727493 398039824 /nfs/dbraw/zinc/03/98/24/398039824.db2.gz FHFXSBJWWHXPFH-WFASDCNBSA-N 2 2 243.354 1.792 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727493 398039826 /nfs/dbraw/zinc/03/98/26/398039826.db2.gz FHFXSBJWWHXPFH-WFASDCNBSA-N 2 2 243.354 1.792 20 30 BDEDLP C=CCC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268516917 166298380 /nfs/dbraw/zinc/29/83/80/166298380.db2.gz DVYOLCKUZPJMMI-CYBMUJFWSA-N 2 2 249.358 1.916 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268537452 166302722 /nfs/dbraw/zinc/30/27/22/166302722.db2.gz KACRJEMWFVXJID-STQMWFEESA-N 2 2 249.358 1.916 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268537452 166302724 /nfs/dbraw/zinc/30/27/24/166302724.db2.gz KACRJEMWFVXJID-STQMWFEESA-N 2 2 249.358 1.916 20 30 BDEDLP C=CC[NH+](CC=C)CCn1cc[nH+]c1C ZINC000270680723 166335077 /nfs/dbraw/zinc/33/50/77/166335077.db2.gz UNGXQXWPHVGMIX-UHFFFAOYSA-N 2 2 205.305 1.866 20 30 BDEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655729662 411374580 /nfs/dbraw/zinc/37/45/80/411374580.db2.gz ICKCITYIVDJWJV-TZMCWYRMSA-N 2 2 238.375 1.794 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590551 411425692 /nfs/dbraw/zinc/42/56/92/411425692.db2.gz IZOHCJZTQGCTOK-NEPJUHHUSA-N 2 2 235.331 1.146 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590551 411425694 /nfs/dbraw/zinc/42/56/94/411425694.db2.gz IZOHCJZTQGCTOK-NEPJUHHUSA-N 2 2 235.331 1.146 20 30 BDEDLP CCC#C[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644737 411452451 /nfs/dbraw/zinc/45/24/51/411452451.db2.gz JKBOMAZNNDWYDJ-LBPRGKRZSA-N 2 2 232.331 1.334 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660431207 411583603 /nfs/dbraw/zinc/58/36/03/411583603.db2.gz YCIYQVFIBZBLAH-UONOGXRCSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000660431207 411583605 /nfs/dbraw/zinc/58/36/05/411583605.db2.gz YCIYQVFIBZBLAH-UONOGXRCSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660431207 411583607 /nfs/dbraw/zinc/58/36/07/411583607.db2.gz YCIYQVFIBZBLAH-UONOGXRCSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660431207 411583609 /nfs/dbraw/zinc/58/36/09/411583609.db2.gz YCIYQVFIBZBLAH-UONOGXRCSA-N 2 2 240.391 1.728 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341469182 176277132 /nfs/dbraw/zinc/27/71/32/176277132.db2.gz BIPOUNNZHJLUIB-IUODEOHRSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341469182 176277133 /nfs/dbraw/zinc/27/71/33/176277133.db2.gz BIPOUNNZHJLUIB-IUODEOHRSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000037157275 487836654 /nfs/dbraw/zinc/83/66/54/487836654.db2.gz BRZFDUYKVBNNDE-LBPRGKRZSA-N 2 2 240.310 1.933 20 30 BDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264079139 534843100 /nfs/dbraw/zinc/84/31/00/534843100.db2.gz HZYMVXAMRAHDTO-ZDUSSCGKSA-N 2 2 246.358 1.380 20 30 BDEDLP Cc1cc(NCC#CC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000894875643 583541499 /nfs/dbraw/zinc/54/14/99/583541499.db2.gz HOHXCBHAEKPMHB-UHFFFAOYSA-N 2 2 244.342 1.639 20 30 BDEDLP C[N@H+](CC#Cc1ccccc1)CC1C[NH+](C)C1 ZINC000895363819 583660288 /nfs/dbraw/zinc/66/02/88/583660288.db2.gz WLUNKVBILNTWKQ-UHFFFAOYSA-N 2 2 228.339 1.532 20 30 BDEDLP C[N@@H+](CC#Cc1ccccc1)CC1C[NH+](C)C1 ZINC000895363819 583660289 /nfs/dbraw/zinc/66/02/89/583660289.db2.gz WLUNKVBILNTWKQ-UHFFFAOYSA-N 2 2 228.339 1.532 20 30 BDEDLP N#Cc1csc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000902445993 584598753 /nfs/dbraw/zinc/59/87/53/584598753.db2.gz NOGAKMJYFXBUID-SCZZXKLOSA-N 2 2 236.344 1.232 20 30 BDEDLP N#Cc1csc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000902447330 584604823 /nfs/dbraw/zinc/60/48/23/584604823.db2.gz SPDFPSFPEFYWHT-IUCAKERBSA-N 2 2 236.344 1.374 20 30 BDEDLP N#Cc1csc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000902448015 584604916 /nfs/dbraw/zinc/60/49/16/584604916.db2.gz WRPYCNZWGJNOPN-ZJUUUORDSA-N 2 2 248.355 1.374 20 30 BDEDLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902720049 584659231 /nfs/dbraw/zinc/65/92/31/584659231.db2.gz CSQKTUYVUWRSOS-NSHDSACASA-N 2 2 232.331 1.556 20 30 BDEDLP C[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C[NH+](C)C ZINC000902998519 584715204 /nfs/dbraw/zinc/71/52/04/584715204.db2.gz FJBNCXJGGAJPLP-VXGBXAGGSA-N 2 2 246.358 1.802 20 30 BDEDLP N#CC1(CCCC[N@H+]2CC[C@H]([NH3+])C2)CCC1 ZINC000903716718 584791709 /nfs/dbraw/zinc/79/17/09/584791709.db2.gz QLAGALXWLRKJJI-LBPRGKRZSA-N 2 2 221.348 1.884 20 30 BDEDLP N#CC1(CCCC[N@@H+]2CC[C@H]([NH3+])C2)CCC1 ZINC000903716718 584791711 /nfs/dbraw/zinc/79/17/11/584791711.db2.gz QLAGALXWLRKJJI-LBPRGKRZSA-N 2 2 221.348 1.884 20 30 BDEDLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)ccc1C#N ZINC000903963562 584833483 /nfs/dbraw/zinc/83/34/83/584833483.db2.gz AYUKASDERNJZSI-ZWNOBZJWSA-N 2 2 245.326 1.264 20 30 BDEDLP CC(=[NH+]N1CC[NH+](C)CC1)c1ccc(N)cc1 ZINC000839383231 585102055 /nfs/dbraw/zinc/10/20/55/585102055.db2.gz HFUJRFNYRZEJNC-UHFFFAOYSA-N 2 2 232.331 1.240 20 30 BDEDLP C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000741386902 585113225 /nfs/dbraw/zinc/11/32/25/585113225.db2.gz NIKMBDSEWUTMDS-KBPBESRZSA-N 2 2 248.374 1.704 20 30 BDEDLP C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000741386902 585113226 /nfs/dbraw/zinc/11/32/26/585113226.db2.gz NIKMBDSEWUTMDS-KBPBESRZSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@H](C#N)CCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000741386902 585113227 /nfs/dbraw/zinc/11/32/27/585113227.db2.gz NIKMBDSEWUTMDS-KBPBESRZSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@H](C#N)CCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000741386902 585113228 /nfs/dbraw/zinc/11/32/28/585113228.db2.gz NIKMBDSEWUTMDS-KBPBESRZSA-N 2 2 248.374 1.704 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000817932776 586843443 /nfs/dbraw/zinc/84/34/43/586843443.db2.gz WNFOINJHDHOYLS-UONOGXRCSA-N 2 2 244.342 1.703 20 30 BDEDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817952147 586848317 /nfs/dbraw/zinc/84/83/17/586848317.db2.gz OCHBFJYFCGKTTF-LBPRGKRZSA-N 2 2 247.342 1.849 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000847022073 588302746 /nfs/dbraw/zinc/30/27/46/588302746.db2.gz RVTUPIGDSLFGKR-CYBMUJFWSA-N 2 2 217.316 1.618 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000847022073 588302747 /nfs/dbraw/zinc/30/27/47/588302747.db2.gz RVTUPIGDSLFGKR-CYBMUJFWSA-N 2 2 217.316 1.618 20 30 BDEDLP C=CCNC(=[NH2+])NCC[NH+]1Cc2ccccc2C1 ZINC000848996906 588429453 /nfs/dbraw/zinc/42/94/53/588429453.db2.gz RPFQSONXBAXZNY-UHFFFAOYSA-N 2 2 244.342 1.302 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852007981 588654960 /nfs/dbraw/zinc/65/49/60/588654960.db2.gz CWOOTKXZMVEORC-CQSZACIVSA-N 2 2 236.359 1.196 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852007981 588654961 /nfs/dbraw/zinc/65/49/61/588654961.db2.gz CWOOTKXZMVEORC-CQSZACIVSA-N 2 2 236.359 1.196 20 30 BDEDLP C#CCC[N@@H+](CCCn1cc[nH+]c1)CCOC ZINC000852751211 588700191 /nfs/dbraw/zinc/70/01/91/588700191.db2.gz SWDOFTMGOZMFMU-UHFFFAOYSA-N 2 2 235.331 1.245 20 30 BDEDLP C#CCC[N@H+](CCCn1cc[nH+]c1)CCOC ZINC000852751211 588700192 /nfs/dbraw/zinc/70/01/92/588700192.db2.gz SWDOFTMGOZMFMU-UHFFFAOYSA-N 2 2 235.331 1.245 20 30 BDEDLP CCC(=[NH+]N1CC[NH+](C)CC1)c1ccc(N)cc1 ZINC000863064653 589253267 /nfs/dbraw/zinc/25/32/67/589253267.db2.gz MNDLWUKDGYYQEG-UHFFFAOYSA-N 2 2 246.358 1.630 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122775053 589631574 /nfs/dbraw/zinc/63/15/74/589631574.db2.gz VQMKCLVYUFOFPH-UWVGGRQHSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122775053 589631575 /nfs/dbraw/zinc/63/15/75/589631575.db2.gz VQMKCLVYUFOFPH-UWVGGRQHSA-N 2 2 202.729 1.798 20 30 BDEDLP CCNc1ccccc1C=[NH+]N1CC[NH+](C)CC1 ZINC000872325229 589913146 /nfs/dbraw/zinc/91/31/46/589913146.db2.gz IJGXQXUNTVAGEE-UHFFFAOYSA-N 2 2 246.358 1.700 20 30 BDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000876755342 590238846 /nfs/dbraw/zinc/23/88/46/590238846.db2.gz XVCXWGQYZHIHEK-SECBINFHSA-N 2 2 239.706 1.220 20 30 BDEDLP C#CCCCCCC[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000877662077 590387698 /nfs/dbraw/zinc/38/76/98/590387698.db2.gz MALIEQMYSOCXPF-AWEZNQCLSA-N 2 2 238.375 1.226 20 30 BDEDLP C#CCCCCCC[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000877662077 590387699 /nfs/dbraw/zinc/38/76/99/590387699.db2.gz MALIEQMYSOCXPF-AWEZNQCLSA-N 2 2 238.375 1.226 20 30 BDEDLP C#CC[N@@H+](CCn1cc[nH+]c1C)C1CSC1 ZINC000878910831 590647871 /nfs/dbraw/zinc/64/78/71/590647871.db2.gz WLWOUIXLGGMBJZ-UHFFFAOYSA-N 2 2 235.356 1.242 20 30 BDEDLP C#CC[N@H+](CCn1cc[nH+]c1C)C1CSC1 ZINC000878910831 590647875 /nfs/dbraw/zinc/64/78/75/590647875.db2.gz WLWOUIXLGGMBJZ-UHFFFAOYSA-N 2 2 235.356 1.242 20 30 BDEDLP C#CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879199587 590713579 /nfs/dbraw/zinc/71/35/79/590713579.db2.gz HDEGKALCGXASFZ-UHFFFAOYSA-N 2 2 206.333 1.570 20 30 BDEDLP C=CCOCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140617 590939267 /nfs/dbraw/zinc/93/92/67/590939267.db2.gz CDQVWGFVQUXCKC-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140617 590939270 /nfs/dbraw/zinc/93/92/70/590939270.db2.gz CDQVWGFVQUXCKC-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140617 590939271 /nfs/dbraw/zinc/93/92/71/590939271.db2.gz CDQVWGFVQUXCKC-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140617 590939274 /nfs/dbraw/zinc/93/92/74/590939274.db2.gz CDQVWGFVQUXCKC-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CC[C@H]1CC[N@H+]1CCn1cc[nH+]c1C ZINC000934458723 631846063 /nfs/dbraw/zinc/84/60/63/631846063.db2.gz CRPKQTUOUADBMR-LBPRGKRZSA-N 2 2 205.305 1.842 20 30 BDEDLP C=CC[C@H]1CC[N@@H+]1CCn1cc[nH+]c1C ZINC000934458723 631846069 /nfs/dbraw/zinc/84/60/69/631846069.db2.gz CRPKQTUOUADBMR-LBPRGKRZSA-N 2 2 205.305 1.842 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C)s1 ZINC000328234127 633747875 /nfs/dbraw/zinc/74/78/75/633747875.db2.gz FDGVUVCSJSNJDZ-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C)s1 ZINC000328234127 633747882 /nfs/dbraw/zinc/74/78/82/633747882.db2.gz FDGVUVCSJSNJDZ-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000902446432 637305370 /nfs/dbraw/zinc/30/53/70/637305370.db2.gz OOKWAPVILOKUKZ-YUMQZZPRSA-N 2 2 224.333 1.230 20 30 BDEDLP C=CCOc1ccccc1C[NH2+]CC1([NH3+])CC1 ZINC000904449760 637415043 /nfs/dbraw/zinc/41/50/43/637415043.db2.gz MJNPWLKFXSWVNZ-UHFFFAOYSA-N 2 2 232.327 1.832 20 30 BDEDLP CC#CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311781 640146847 /nfs/dbraw/zinc/14/68/47/640146847.db2.gz SUUPZKUINNGBKW-STQMWFEESA-N 2 2 206.333 1.283 20 30 BDEDLP CC#CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931311780 640147861 /nfs/dbraw/zinc/14/78/61/640147861.db2.gz SUUPZKUINNGBKW-CHWSQXEVSA-N 2 2 206.333 1.283 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514001 640243182 /nfs/dbraw/zinc/24/31/82/640243182.db2.gz JGEVGVYEVGBEPU-LLVKDONJSA-N 2 2 247.342 1.349 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514001 640243189 /nfs/dbraw/zinc/24/31/89/640243189.db2.gz JGEVGVYEVGBEPU-LLVKDONJSA-N 2 2 247.342 1.349 20 30 BDEDLP C#CCC1([NH2+]CCn2cc[nH+]c2)CCC1 ZINC000933297788 642511278 /nfs/dbraw/zinc/51/12/78/642511278.db2.gz ABRYSUPPTCCIJR-UHFFFAOYSA-N 2 2 203.289 1.419 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292874 644328736 /nfs/dbraw/zinc/32/87/36/644328736.db2.gz KQWVUKIZOCUCRN-FRRDWIJNSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292874 644328739 /nfs/dbraw/zinc/32/87/39/644328739.db2.gz KQWVUKIZOCUCRN-FRRDWIJNSA-N 2 2 224.348 1.140 20 30 BDEDLP [NH2+]=C(NCCCn1cc[nH+]c1)N1CCCCC1 ZINC000303720594 644841656 /nfs/dbraw/zinc/84/16/56/644841656.db2.gz WUDLAZVBHBBPSY-UHFFFAOYSA-N 2 2 235.335 1.074 20 30 BDEDLP C=C(Cl)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709333877 712219725 /nfs/dbraw/zinc/21/97/25/712219725.db2.gz HYCFXQVURMINSF-ULKQDVFKSA-N 2 2 200.713 1.612 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840299 711153484 /nfs/dbraw/zinc/15/34/84/711153484.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840299 711153485 /nfs/dbraw/zinc/15/34/85/711153485.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392840299 711153487 /nfs/dbraw/zinc/15/34/87/711153487.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 3 2 249.402 1.158 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392840299 711153488 /nfs/dbraw/zinc/15/34/88/711153488.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 3 2 249.402 1.158 20 30 BDEDLP C[N@@H+]1C[C@]2(C)C[NH+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000706258326 712142735 /nfs/dbraw/zinc/14/27/35/712142735.db2.gz WYWIKTMHZLULHY-OKILXGFUSA-N 2 2 247.386 1.954 20 30 BDEDLP C[N@H+]1C[C@]2(C)C[NH+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000706258326 712142736 /nfs/dbraw/zinc/14/27/36/712142736.db2.gz WYWIKTMHZLULHY-OKILXGFUSA-N 2 2 247.386 1.954 20 30 BDEDLP C[NH+]1C[C@]2(C)C[N@H+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000706258326 712142737 /nfs/dbraw/zinc/14/27/37/712142737.db2.gz WYWIKTMHZLULHY-OKILXGFUSA-N 2 2 247.386 1.954 20 30 BDEDLP C[NH+]1C[C@]2(C)C[N@@H+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000706258326 712142738 /nfs/dbraw/zinc/14/27/38/712142738.db2.gz WYWIKTMHZLULHY-OKILXGFUSA-N 2 2 247.386 1.954 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000884612427 712647702 /nfs/dbraw/zinc/64/77/02/712647702.db2.gz LFGIHPZYRJXRIP-CYBMUJFWSA-N 2 2 229.327 1.900 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000884612427 712647703 /nfs/dbraw/zinc/64/77/03/712647703.db2.gz LFGIHPZYRJXRIP-CYBMUJFWSA-N 2 2 229.327 1.900 20 30 BDEDLP CCc1cc(NCC#CC[NH+](C)C)nc(C)[nH+]1 ZINC000717605818 712662484 /nfs/dbraw/zinc/66/24/84/712662484.db2.gz KSDMGRAYNPLOPT-UHFFFAOYSA-N 2 2 232.331 1.324 20 30 BDEDLP C[N+](C)(C)C[C@@H](CC#N)Oc1cc[nH+]cc1 ZINC001225290591 962051323 /nfs/dbraw/zinc/05/13/23/962051323.db2.gz BVBPGZLJRWYFBG-GFCCVEGCSA-N 2 2 220.296 1.449 20 30 BDEDLP C[C@@H](C#N)[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328316 964460696 /nfs/dbraw/zinc/46/06/96/964460696.db2.gz FHAFSSQYDPLKOZ-UNXYVOJBSA-N 2 2 209.337 1.703 20 30 BDEDLP C[C@@H](C#N)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328316 964460703 /nfs/dbraw/zinc/46/07/03/964460703.db2.gz FHAFSSQYDPLKOZ-UNXYVOJBSA-N 2 2 209.337 1.703 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000829178504 968825203 /nfs/dbraw/zinc/82/52/03/968825203.db2.gz FVYPUCVZSIJHKP-NNYUYHANSA-N 2 2 207.321 1.170 20 30 BDEDLP C[C@@H](CCC#N)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000829178504 968825206 /nfs/dbraw/zinc/82/52/06/968825206.db2.gz FVYPUCVZSIJHKP-NNYUYHANSA-N 2 2 207.321 1.170 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(CC#N)C1)C2 ZINC001169125881 969423051 /nfs/dbraw/zinc/42/30/51/969423051.db2.gz MWQVPQOHOOCLFS-CLLJXQQHSA-N 2 2 219.332 1.457 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(CC#N)C1)C2 ZINC001169125881 969423055 /nfs/dbraw/zinc/42/30/55/969423055.db2.gz MWQVPQOHOOCLFS-CLLJXQQHSA-N 2 2 219.332 1.457 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532943 969729876 /nfs/dbraw/zinc/72/98/76/969729876.db2.gz YGXUONANRIWKCO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532943 969729886 /nfs/dbraw/zinc/72/98/86/969729886.db2.gz YGXUONANRIWKCO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532943 969729893 /nfs/dbraw/zinc/72/98/93/969729893.db2.gz YGXUONANRIWKCO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001254532943 969729903 /nfs/dbraw/zinc/72/99/03/969729903.db2.gz YGXUONANRIWKCO-STQMWFEESA-N 2 2 221.348 1.706 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(CC#N)CC1 ZINC001173325592 975275385 /nfs/dbraw/zinc/27/53/85/975275385.db2.gz LEZYZTGEHSRIGQ-HIFPTAJRSA-N 2 2 223.364 1.999 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001246109796 972175740 /nfs/dbraw/zinc/17/57/40/972175740.db2.gz KZKWSUBDRUUHQK-IJLUTSLNSA-N 2 2 209.337 1.656 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CC[NH2+]1 ZINC001246188348 972213527 /nfs/dbraw/zinc/21/35/27/972213527.db2.gz WIOOIYSPHQJWQL-BXUZGUMPSA-N 2 2 229.327 1.788 20 30 BDEDLP CCCCCCCC[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC000309433357 959875771 /nfs/dbraw/zinc/87/57/71/959875771.db2.gz GQTSDHSGCJNDHF-ZDUSSCGKSA-N 2 2 228.380 1.613 20 30 BDEDLP CCCCCCCC[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC000309433357 959875764 /nfs/dbraw/zinc/87/57/64/959875764.db2.gz GQTSDHSGCJNDHF-ZDUSSCGKSA-N 2 2 228.380 1.613 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000164989243 960849754 /nfs/dbraw/zinc/84/97/54/960849754.db2.gz PGEADMXXIWXMEF-UHFFFAOYSA-N 2 2 229.327 1.662 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000164989243 960849755 /nfs/dbraw/zinc/84/97/55/960849755.db2.gz PGEADMXXIWXMEF-UHFFFAOYSA-N 2 2 229.327 1.662 20 30 BDEDLP CC[C@H](CC#N)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000389619971 962398318 /nfs/dbraw/zinc/39/83/18/962398318.db2.gz IGXKXHYDRSHPKJ-NWDGAFQWSA-N 2 2 209.337 1.739 20 30 BDEDLP CC[C@H](CC#N)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000389619971 962398332 /nfs/dbraw/zinc/39/83/32/962398332.db2.gz IGXKXHYDRSHPKJ-NWDGAFQWSA-N 2 2 209.337 1.739 20 30 BDEDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001204801480 963671337 /nfs/dbraw/zinc/67/13/37/963671337.db2.gz PZXYLQLJSJQYNQ-CYBMUJFWSA-N 2 2 231.299 1.187 20 30 BDEDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001204801480 963671344 /nfs/dbraw/zinc/67/13/44/963671344.db2.gz PZXYLQLJSJQYNQ-CYBMUJFWSA-N 2 2 231.299 1.187 20 30 BDEDLP C[NH+]1CC(CNc2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001159218916 964021093 /nfs/dbraw/zinc/02/10/93/964021093.db2.gz DXJAHPAJFAUOOD-UHFFFAOYSA-N 2 2 241.298 1.408 20 30 BDEDLP C[NH+](C)CCCCNc1[nH+]cccc1CC#N ZINC001161725647 964716376 /nfs/dbraw/zinc/71/63/76/964716376.db2.gz PQNYTJQTMQXVOZ-UHFFFAOYSA-N 2 2 232.331 1.901 20 30 BDEDLP N#CCc1cc[nH+]c(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162805200 965187429 /nfs/dbraw/zinc/18/74/29/965187429.db2.gz NVJKAKDDKLMBSY-RYUDHWBXSA-N 2 2 248.305 1.507 20 30 BDEDLP C=C(C)C[N@H+](CC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949542 966178479 /nfs/dbraw/zinc/17/84/79/966178479.db2.gz BHQHFQXWWQIWFQ-NSHDSACASA-N 2 2 212.337 1.609 20 30 BDEDLP C=C(C)C[N@@H+](CC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949542 966178494 /nfs/dbraw/zinc/17/84/94/966178494.db2.gz BHQHFQXWWQIWFQ-NSHDSACASA-N 2 2 212.337 1.609 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235987538 966203855 /nfs/dbraw/zinc/20/38/55/966203855.db2.gz GOOZKQKVNAMKHD-CABCVRRESA-N 2 2 241.338 1.790 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235987538 966203871 /nfs/dbraw/zinc/20/38/71/966203871.db2.gz GOOZKQKVNAMKHD-CABCVRRESA-N 2 2 241.338 1.790 20 30 BDEDLP C=C[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001253586193 969269352 /nfs/dbraw/zinc/26/93/52/969269352.db2.gz HTGPOAMACIIPJB-CHWSQXEVSA-N 2 2 248.326 1.390 20 30 BDEDLP C=C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001253586193 969269358 /nfs/dbraw/zinc/26/93/58/969269358.db2.gz HTGPOAMACIIPJB-CHWSQXEVSA-N 2 2 248.326 1.390 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169110156 969443606 /nfs/dbraw/zinc/44/36/06/969443606.db2.gz KSFDLJJKGURCIE-YFKTTZPYSA-N 2 2 207.321 1.503 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110156 969443615 /nfs/dbraw/zinc/44/36/15/969443615.db2.gz KSFDLJJKGURCIE-YFKTTZPYSA-N 2 2 207.321 1.503 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001254679252 969783197 /nfs/dbraw/zinc/78/31/97/969783197.db2.gz KFUGWCCKXIZXRF-GXTWGEPZSA-N 2 2 233.359 1.849 20 30 BDEDLP C[Si](C)(C)C#C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001171330194 973832388 /nfs/dbraw/zinc/83/23/88/973832388.db2.gz QBNGFFJKPHUPFX-NSHDSACASA-N 2 2 210.397 1.556 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113882 974383274 /nfs/dbraw/zinc/38/32/74/974383274.db2.gz KBOIYJKHBVGOCU-RVMXOQNASA-N 2 2 221.348 1.893 20 30 BDEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113882 974383280 /nfs/dbraw/zinc/38/32/80/974383280.db2.gz KBOIYJKHBVGOCU-RVMXOQNASA-N 2 2 221.348 1.893 20 30 BDEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)Cn1cc[nH+]c1 ZINC001335943008 977378684 /nfs/dbraw/zinc/37/86/84/977378684.db2.gz UQIDKROXAHNWLD-STQMWFEESA-N 2 2 245.330 1.552 20 30 BDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC#N ZINC001338266724 978647987 /nfs/dbraw/zinc/64/79/87/978647987.db2.gz CUKPEKLJZFJZIF-UHFFFAOYSA-N 2 2 241.254 1.428 20 30 BDEDLP C=CC[NH2+]CC[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235134732 978980392 /nfs/dbraw/zinc/98/03/92/978980392.db2.gz BPZQNJRZTWQOLD-UHFFFAOYSA-N 3 2 237.391 1.228 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166479 978988048 /nfs/dbraw/zinc/98/80/48/978988048.db2.gz SRORRQYRXWXSSG-LSDHHAIUSA-N 2 2 241.338 1.524 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166479 978988051 /nfs/dbraw/zinc/98/80/51/978988051.db2.gz SRORRQYRXWXSSG-LSDHHAIUSA-N 2 2 241.338 1.524 20 30 BDEDLP C#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235989207 979270121 /nfs/dbraw/zinc/27/01/21/979270121.db2.gz IFZZIMVQBARWKT-LSDHHAIUSA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235989207 979270133 /nfs/dbraw/zinc/27/01/33/979270133.db2.gz IFZZIMVQBARWKT-LSDHHAIUSA-N 2 2 226.323 1.591 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001236898931 979787723 /nfs/dbraw/zinc/78/77/23/979787723.db2.gz BYYHYMIONLOAQZ-JTQLQIEISA-N 2 2 242.326 1.819 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001236898931 979787728 /nfs/dbraw/zinc/78/77/28/979787728.db2.gz BYYHYMIONLOAQZ-JTQLQIEISA-N 2 2 242.326 1.819 20 30 BDEDLP CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205340173 980305278 /nfs/dbraw/zinc/30/52/78/980305278.db2.gz PVHJHYBONKXSLC-CHWSQXEVSA-N 2 2 228.380 1.741 20 30 BDEDLP CCCCCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205340173 980305282 /nfs/dbraw/zinc/30/52/82/980305282.db2.gz PVHJHYBONKXSLC-CHWSQXEVSA-N 2 2 228.380 1.741 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041255 986436246 /nfs/dbraw/zinc/43/62/46/986436246.db2.gz YHMYRNNMSRVRDF-SVNGYHJRSA-N 2 2 205.305 1.161 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC001580080848 986515086 /nfs/dbraw/zinc/51/50/86/986515086.db2.gz ISYSPYMPRUHLCR-GFCCVEGCSA-N 2 2 230.315 1.124 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC001580080848 986515096 /nfs/dbraw/zinc/51/50/96/986515096.db2.gz ISYSPYMPRUHLCR-GFCCVEGCSA-N 2 2 230.315 1.124 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246089157 987390074 /nfs/dbraw/zinc/39/00/74/987390074.db2.gz ZJIYTFCHDBBSSX-HBNTYKKESA-N 2 2 200.301 1.631 20 30 BDEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246094568 987406232 /nfs/dbraw/zinc/40/62/32/987406232.db2.gz ZRZMBRXYUZSMBP-FUNVUKJBSA-N 2 2 233.359 1.943 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246267898 987661749 /nfs/dbraw/zinc/66/17/49/987661749.db2.gz STOQYKMEONEEQK-IUODEOHRSA-N 2 2 228.339 1.898 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CC[NH2+]1 ZINC001246483664 987841198 /nfs/dbraw/zinc/84/11/98/987841198.db2.gz MUUAULZMZGTAAB-GXSJLCMTSA-N 2 2 219.288 1.381 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001118091042 988015481 /nfs/dbraw/zinc/01/54/81/988015481.db2.gz QYDWXLWXIFHHBA-NEPJUHHUSA-N 2 2 243.314 1.231 20 30 BDEDLP C[C@@H](CCCC#N)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246643082 988354480 /nfs/dbraw/zinc/35/44/80/988354480.db2.gz NZGXBCZXSYSLNP-SDDRHHMPSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@@H](CCCC#N)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246643082 988354492 /nfs/dbraw/zinc/35/44/92/988354492.db2.gz NZGXBCZXSYSLNP-SDDRHHMPSA-N 2 2 207.321 1.505 20 30 BDEDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(C#N)n1 ZINC001575418849 993041950 /nfs/dbraw/zinc/04/19/50/993041950.db2.gz YVXPGHINNUZOFW-CYBMUJFWSA-N 2 2 232.331 1.416 20 30 BDEDLP CC[C@@H](CC#N)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000389619970 993756596 /nfs/dbraw/zinc/75/65/96/993756596.db2.gz IGXKXHYDRSHPKJ-NEPJUHHUSA-N 2 2 209.337 1.739 20 30 BDEDLP CC[C@@H](CC#N)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000389619970 993756602 /nfs/dbraw/zinc/75/66/02/993756602.db2.gz IGXKXHYDRSHPKJ-NEPJUHHUSA-N 2 2 209.337 1.739 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000649390190 398196944 /nfs/dbraw/zinc/19/69/44/398196944.db2.gz XNYZRSOAQXSUOI-MJBXVCDLSA-N 2 2 249.358 1.703 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000649390190 398196947 /nfs/dbraw/zinc/19/69/47/398196947.db2.gz XNYZRSOAQXSUOI-MJBXVCDLSA-N 2 2 249.358 1.703 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000649390191 398196967 /nfs/dbraw/zinc/19/69/67/398196967.db2.gz XNYZRSOAQXSUOI-RDBSUJKOSA-N 2 2 249.358 1.703 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000649390191 398196969 /nfs/dbraw/zinc/19/69/69/398196969.db2.gz XNYZRSOAQXSUOI-RDBSUJKOSA-N 2 2 249.358 1.703 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C#N)CC1 ZINC000602511971 349585261 /nfs/dbraw/zinc/58/52/61/349585261.db2.gz SYPTVIGWELWTKH-HIFPTAJRSA-N 2 2 232.331 1.944 20 30 BDEDLP N#CCCC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000399465854 342688874 /nfs/dbraw/zinc/68/88/74/342688874.db2.gz RPFGFWFZGXPZEC-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+](C)C ZINC000602591573 349614895 /nfs/dbraw/zinc/61/48/95/349614895.db2.gz BDZFEBDLKNJRSP-VOMCLLRMSA-N 2 2 209.337 1.608 20 30 BDEDLP CC[N@H+](CCc1c[nH+]cn1C)C[C@H](C)C#N ZINC000602770392 349725269 /nfs/dbraw/zinc/72/52/69/349725269.db2.gz RTWLWUYHAKQIQM-LLVKDONJSA-N 2 2 220.320 1.444 20 30 BDEDLP CC[N@@H+](CCc1c[nH+]cn1C)C[C@H](C)C#N ZINC000602770392 349725271 /nfs/dbraw/zinc/72/52/71/349725271.db2.gz RTWLWUYHAKQIQM-LLVKDONJSA-N 2 2 220.320 1.444 20 30 BDEDLP Cn1c[nH+]cc1CC[NH+]1CCC(C)(C#N)CC1 ZINC000602808486 349753496 /nfs/dbraw/zinc/75/34/96/349753496.db2.gz WTTFZPRYAUCDGS-UHFFFAOYSA-N 2 2 232.331 1.588 20 30 BDEDLP N#CCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266956229 136281720 /nfs/dbraw/zinc/28/17/20/136281720.db2.gz VMJBMRLVUHIDNH-NSHDSACASA-N 2 2 218.304 1.893 20 30 BDEDLP N#CCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266956229 136281721 /nfs/dbraw/zinc/28/17/21/136281721.db2.gz VMJBMRLVUHIDNH-NSHDSACASA-N 2 2 218.304 1.893 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251075375 343534618 /nfs/dbraw/zinc/53/46/18/343534618.db2.gz GFBMDNSFZJIGOT-WOPDTQHZSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251075375 343534620 /nfs/dbraw/zinc/53/46/20/343534620.db2.gz GFBMDNSFZJIGOT-WOPDTQHZSA-N 2 2 207.321 1.362 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000306522412 343860509 /nfs/dbraw/zinc/86/05/09/343860509.db2.gz LTPHLHHCZCREKH-VHSXEESVSA-N 2 2 200.713 1.423 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000306522412 343860510 /nfs/dbraw/zinc/86/05/10/343860510.db2.gz LTPHLHHCZCREKH-VHSXEESVSA-N 2 2 200.713 1.423 20 30 BDEDLP C=CC[NH+]1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000641358985 362375222 /nfs/dbraw/zinc/37/52/22/362375222.db2.gz LKIMDPHZNDNOCL-UHFFFAOYSA-N 2 2 235.306 1.705 20 30 BDEDLP CC[NH+]1CCC([N@H+](C)CCCC#N)CC1 ZINC000042616556 344460661 /nfs/dbraw/zinc/46/06/61/344460661.db2.gz GWNAEAUYZLFGKP-UHFFFAOYSA-N 2 2 209.337 1.706 20 30 BDEDLP CC[NH+]1CCC([N@@H+](C)CCCC#N)CC1 ZINC000042616556 344460662 /nfs/dbraw/zinc/46/06/62/344460662.db2.gz GWNAEAUYZLFGKP-UHFFFAOYSA-N 2 2 209.337 1.706 20 30 BDEDLP CCC[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000381327117 344496645 /nfs/dbraw/zinc/49/66/45/344496645.db2.gz RLQCQRMWLKWFKK-UHFFFAOYSA-N 2 2 221.348 1.754 20 30 BDEDLP C=C[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000291444023 346386011 /nfs/dbraw/zinc/38/60/11/346386011.db2.gz CBVCKOMCHBNVBM-ZDUSSCGKSA-N 2 2 220.316 1.459 20 30 BDEDLP C=C(C)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183790932 347136252 /nfs/dbraw/zinc/13/62/52/347136252.db2.gz AFDSXEGVMODZKW-UHFFFAOYSA-N 2 2 232.331 1.483 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000591577308 347676605 /nfs/dbraw/zinc/67/66/05/347676605.db2.gz OCYKQXXNGYDDJS-OAHLLOKOSA-N 2 2 241.338 1.887 20 30 BDEDLP C[C@H]1CC[N@H+](Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495884 347788368 /nfs/dbraw/zinc/78/83/68/347788368.db2.gz UXSJIARWVRSZSE-FZMZJTMJSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495884 347788369 /nfs/dbraw/zinc/78/83/69/347788369.db2.gz UXSJIARWVRSZSE-FZMZJTMJSA-N 2 2 244.342 1.370 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000303549843 490113505 /nfs/dbraw/zinc/11/35/05/490113505.db2.gz JDUKDWWGPMDOLB-NEPJUHHUSA-N 2 2 224.348 1.404 20 30 BDEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000303549843 490113516 /nfs/dbraw/zinc/11/35/16/490113516.db2.gz JDUKDWWGPMDOLB-NEPJUHHUSA-N 2 2 224.348 1.404 20 30 BDEDLP N#CCCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594922970 348156361 /nfs/dbraw/zinc/15/63/61/348156361.db2.gz WIDQFBBZVMWTGG-UHFFFAOYSA-N 2 2 218.304 1.613 20 30 BDEDLP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)C#N ZINC000595819670 348360076 /nfs/dbraw/zinc/36/00/76/348360076.db2.gz UILVRVJWJYDNTJ-NSHDSACASA-N 2 2 220.320 1.587 20 30 BDEDLP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)C#N ZINC000595819670 348360079 /nfs/dbraw/zinc/36/00/79/348360079.db2.gz UILVRVJWJYDNTJ-NSHDSACASA-N 2 2 220.320 1.587 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000596654937 348608037 /nfs/dbraw/zinc/60/80/37/348608037.db2.gz RPWVBVPEIGUZIC-MNOVXSKESA-N 2 2 217.316 1.817 20 30 BDEDLP N#CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000597083118 348659396 /nfs/dbraw/zinc/65/93/96/348659396.db2.gz RKAPEITYIIDZKK-UHFFFAOYSA-N 2 2 244.342 1.955 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000598683982 349016186 /nfs/dbraw/zinc/01/61/86/349016186.db2.gz UYYIBNIYVNRRDG-LSDHHAIUSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000598683982 349016190 /nfs/dbraw/zinc/01/61/90/349016190.db2.gz UYYIBNIYVNRRDG-LSDHHAIUSA-N 2 2 241.338 1.871 20 30 BDEDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000598994465 349073036 /nfs/dbraw/zinc/07/30/36/349073036.db2.gz NTQMQRDZBVABGC-GFCCVEGCSA-N 2 2 247.342 1.973 20 30 BDEDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000598994465 349073038 /nfs/dbraw/zinc/07/30/38/349073038.db2.gz NTQMQRDZBVABGC-GFCCVEGCSA-N 2 2 247.342 1.973 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365656496 350557155 /nfs/dbraw/zinc/55/71/55/350557155.db2.gz BVROLOLRXQCBIC-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP CC#CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365656496 350557158 /nfs/dbraw/zinc/55/71/58/350557158.db2.gz BVROLOLRXQCBIC-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278753000 351780900 /nfs/dbraw/zinc/78/09/00/351780900.db2.gz XEWCZJJDOVEAPM-QWHCGFSZSA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278753000 351780902 /nfs/dbraw/zinc/78/09/02/351780902.db2.gz XEWCZJJDOVEAPM-QWHCGFSZSA-N 2 2 232.331 1.897 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCC#N)C1 ZINC000336766442 353269033 /nfs/dbraw/zinc/26/90/33/353269033.db2.gz ROAYBAVZDOCHIQ-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCC#N)C1 ZINC000336766442 353269035 /nfs/dbraw/zinc/26/90/35/353269035.db2.gz ROAYBAVZDOCHIQ-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP C=C(C)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266890157 188261176 /nfs/dbraw/zinc/26/11/76/188261176.db2.gz CPEANCARUXIAFJ-UHFFFAOYSA-N 2 2 220.320 1.118 20 30 BDEDLP C=CCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129519589 353316846 /nfs/dbraw/zinc/31/68/46/353316846.db2.gz BMAVSAOSWWJKAX-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP C=CCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129519589 353316848 /nfs/dbraw/zinc/31/68/48/353316848.db2.gz BMAVSAOSWWJKAX-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP C=CCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129519378 353317629 /nfs/dbraw/zinc/31/76/29/353317629.db2.gz BMAVSAOSWWJKAX-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C=CCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129519378 353317630 /nfs/dbraw/zinc/31/76/30/353317630.db2.gz BMAVSAOSWWJKAX-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP Cc1[nH+]cc(CNc2cc(CC#N)cc[nH+]2)n1C ZINC000578026897 366192527 /nfs/dbraw/zinc/19/25/27/366192527.db2.gz GHFQNDORSQAFPW-UHFFFAOYSA-N 2 2 241.298 1.802 20 30 BDEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)[N@H+](C)C1CC1 ZINC000582660653 357357024 /nfs/dbraw/zinc/35/70/24/357357024.db2.gz LDLIGPFDCCXJER-RYUDHWBXSA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)[N@@H+](C)C1CC1 ZINC000582660653 357357028 /nfs/dbraw/zinc/35/70/28/357357028.db2.gz LDLIGPFDCCXJER-RYUDHWBXSA-N 2 2 234.347 1.502 20 30 BDEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)CCOC ZINC000191139951 357752996 /nfs/dbraw/zinc/75/29/96/357752996.db2.gz LYHBNMRWVRGMNG-UHFFFAOYSA-N 2 2 223.320 1.408 20 30 BDEDLP C=CC[N@H+](CCCn1cc[nH+]c1)CCOC ZINC000191139951 357752999 /nfs/dbraw/zinc/75/29/99/357752999.db2.gz LYHBNMRWVRGMNG-UHFFFAOYSA-N 2 2 223.320 1.408 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000192539415 357843797 /nfs/dbraw/zinc/84/37/97/357843797.db2.gz DROJXRHGRRFPNG-OCCSQVGLSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000370721696 134226860 /nfs/dbraw/zinc/22/68/60/134226860.db2.gz AMMAFRIGEPJUIJ-NSHDSACASA-N 2 2 205.305 1.786 20 30 BDEDLP C=CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000370721696 134226861 /nfs/dbraw/zinc/22/68/61/134226861.db2.gz AMMAFRIGEPJUIJ-NSHDSACASA-N 2 2 205.305 1.786 20 30 BDEDLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)C#N ZINC000124993438 358530467 /nfs/dbraw/zinc/53/04/67/358530467.db2.gz WTGYNSXQVFQSNN-STQMWFEESA-N 2 2 223.364 1.952 20 30 BDEDLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)C#N ZINC000124993438 358530469 /nfs/dbraw/zinc/53/04/69/358530469.db2.gz WTGYNSXQVFQSNN-STQMWFEESA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)C#N ZINC000124993438 358530471 /nfs/dbraw/zinc/53/04/71/358530471.db2.gz WTGYNSXQVFQSNN-STQMWFEESA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)C#N ZINC000124993438 358530473 /nfs/dbraw/zinc/53/04/73/358530473.db2.gz WTGYNSXQVFQSNN-STQMWFEESA-N 2 2 223.364 1.952 20 30 BDEDLP F[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](F)C2)C1 ZINC000451203466 202379061 /nfs/dbraw/zinc/37/90/61/202379061.db2.gz ZBNZIXYNFZIQPV-RYUDHWBXSA-N 2 2 228.286 1.077 20 30 BDEDLP F[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](F)C2)C1 ZINC000451203466 202379066 /nfs/dbraw/zinc/37/90/66/202379066.db2.gz ZBNZIXYNFZIQPV-RYUDHWBXSA-N 2 2 228.286 1.077 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000579344788 366763179 /nfs/dbraw/zinc/76/31/79/366763179.db2.gz MUDNXJJQWLJXDB-NEPJUHHUSA-N 2 2 220.320 1.114 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000579344788 366763187 /nfs/dbraw/zinc/76/31/87/366763187.db2.gz MUDNXJJQWLJXDB-NEPJUHHUSA-N 2 2 220.320 1.114 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000576028972 365456015 /nfs/dbraw/zinc/45/60/15/365456015.db2.gz HQXCWPNPTVQLLP-VZZFWQQMSA-N 2 2 249.358 1.035 20 30 BDEDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000600769576 369563419 /nfs/dbraw/zinc/56/34/19/369563419.db2.gz OVMBNPXYDAHVQC-JOYOIKCWSA-N 2 2 219.288 1.239 20 30 BDEDLP N#Cc1ccc(C[NH2+]CC2([NH3+])CCCCC2)o1 ZINC000600770116 369566089 /nfs/dbraw/zinc/56/60/89/369566089.db2.gz VCOIKQOHDZQYEL-UHFFFAOYSA-N 2 2 233.315 1.902 20 30 BDEDLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602661536 369836663 /nfs/dbraw/zinc/83/66/63/369836663.db2.gz DRLHGXSHOAZJSU-UHFFFAOYSA-N 2 2 246.358 1.727 20 30 BDEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602661536 369836669 /nfs/dbraw/zinc/83/66/69/369836669.db2.gz DRLHGXSHOAZJSU-UHFFFAOYSA-N 2 2 246.358 1.727 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040672005 373586396 /nfs/dbraw/zinc/58/63/96/373586396.db2.gz IRHWMNYXSIVUIP-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040672005 373586401 /nfs/dbraw/zinc/58/64/01/373586401.db2.gz IRHWMNYXSIVUIP-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371203823 533050722 /nfs/dbraw/zinc/05/07/22/533050722.db2.gz DJCQGXULNACHHJ-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371203823 533050725 /nfs/dbraw/zinc/05/07/25/533050725.db2.gz DJCQGXULNACHHJ-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1C ZINC000371203823 533050728 /nfs/dbraw/zinc/05/07/28/533050728.db2.gz DJCQGXULNACHHJ-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1C ZINC000371203823 533050734 /nfs/dbraw/zinc/05/07/34/533050734.db2.gz DJCQGXULNACHHJ-STQMWFEESA-N 2 2 206.333 1.568 20 30 BDEDLP C=C(C)CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905306 385454183 /nfs/dbraw/zinc/45/41/83/385454183.db2.gz WQLGZAZUQBISNC-UHFFFAOYSA-N 2 2 247.346 1.364 20 30 BDEDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc(C#N)cs1 ZINC000309422987 385577445 /nfs/dbraw/zinc/57/74/45/385577445.db2.gz AIUSCDFSFHZVTM-VIFPVBQESA-N 2 2 238.360 1.445 20 30 BDEDLP Cn1cc(C[N@@H+]2CCn3c[nH+]cc3C2)cc1C#N ZINC000291608857 385899267 /nfs/dbraw/zinc/89/92/67/385899267.db2.gz QVRVJXVTEWZBLV-UHFFFAOYSA-N 2 2 241.298 1.109 20 30 BDEDLP Cn1cc(C[N@H+]2CCn3c[nH+]cc3C2)cc1C#N ZINC000291608857 385899274 /nfs/dbraw/zinc/89/92/74/385899274.db2.gz QVRVJXVTEWZBLV-UHFFFAOYSA-N 2 2 241.298 1.109 20 30 BDEDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000309249302 386036660 /nfs/dbraw/zinc/03/66/60/386036660.db2.gz ZIMIOFMGLQDPQX-GWCFXTLKSA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000309249302 386036664 /nfs/dbraw/zinc/03/66/64/386036664.db2.gz ZIMIOFMGLQDPQX-GWCFXTLKSA-N 2 2 215.300 1.480 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000417351023 386490645 /nfs/dbraw/zinc/49/06/45/386490645.db2.gz BPLTVXNQBJQINW-GHMZBOCLSA-N 2 2 207.321 1.362 20 30 BDEDLP N#CCCOCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000292727230 386713386 /nfs/dbraw/zinc/71/33/86/386713386.db2.gz GHMDNNIPQVQBFN-UHFFFAOYSA-N 2 2 248.330 1.450 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645188064 386850265 /nfs/dbraw/zinc/85/02/65/386850265.db2.gz HKWHQWBSRBOJMN-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645188064 386850269 /nfs/dbraw/zinc/85/02/69/386850269.db2.gz HKWHQWBSRBOJMN-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645188064 386850271 /nfs/dbraw/zinc/85/02/71/386850271.db2.gz HKWHQWBSRBOJMN-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645188064 386850275 /nfs/dbraw/zinc/85/02/75/386850275.db2.gz HKWHQWBSRBOJMN-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C#N)c[nH+]1 ZINC000399601862 387036930 /nfs/dbraw/zinc/03/69/30/387036930.db2.gz TZQMCCSUIJXPCL-JTQLQIEISA-N 2 2 232.331 1.436 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000320953301 387029477 /nfs/dbraw/zinc/02/94/77/387029477.db2.gz GZPMNQIAAFVDFU-XQQFMLRXSA-N 2 2 238.375 1.528 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000320953301 387029481 /nfs/dbraw/zinc/02/94/81/387029481.db2.gz GZPMNQIAAFVDFU-XQQFMLRXSA-N 2 2 238.375 1.528 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[NH2+]CCOC ZINC000423317963 387158812 /nfs/dbraw/zinc/15/88/12/387158812.db2.gz BKGYOXOPKKRZBP-RYUDHWBXSA-N 2 2 214.353 1.413 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000428221813 387592404 /nfs/dbraw/zinc/59/24/04/387592404.db2.gz LLOPUZWSMQWGBL-UHFFFAOYSA-N 2 2 238.375 1.530 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000527738120 387705594 /nfs/dbraw/zinc/70/55/94/387705594.db2.gz TYXQIYHWSWEVHD-ZDUSSCGKSA-N 2 2 240.391 1.899 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000527738120 387705600 /nfs/dbraw/zinc/70/56/00/387705600.db2.gz TYXQIYHWSWEVHD-ZDUSSCGKSA-N 2 2 240.391 1.899 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422975647 387824012 /nfs/dbraw/zinc/82/40/12/387824012.db2.gz BRXCBJAFPMTRKE-DRZSPHRISA-N 2 2 224.348 1.308 20 30 BDEDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442775097 387836571 /nfs/dbraw/zinc/83/65/71/387836571.db2.gz BJXQERBVPYOSPZ-QWHCGFSZSA-N 2 2 239.363 1.237 20 30 BDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442775097 387836576 /nfs/dbraw/zinc/83/65/76/387836576.db2.gz BJXQERBVPYOSPZ-QWHCGFSZSA-N 2 2 239.363 1.237 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442779876 387839652 /nfs/dbraw/zinc/83/96/52/387839652.db2.gz MCVZGJZORIEMBH-OCCSQVGLSA-N 2 2 233.359 1.919 20 30 BDEDLP C=CCCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423045602 387856271 /nfs/dbraw/zinc/85/62/71/387856271.db2.gz CHZZBRAKOVFFDW-ZIAGYGMSSA-N 2 2 238.375 1.699 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000424168335 387859628 /nfs/dbraw/zinc/85/96/28/387859628.db2.gz GDHISXKXOARBDG-RVMXOQNASA-N 2 2 224.348 1.117 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000424168335 387859633 /nfs/dbraw/zinc/85/96/33/387859633.db2.gz GDHISXKXOARBDG-RVMXOQNASA-N 2 2 224.348 1.117 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000424168337 387860025 /nfs/dbraw/zinc/86/00/25/387860025.db2.gz GDHISXKXOARBDG-XQHKEYJVSA-N 2 2 224.348 1.117 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000424168337 387860029 /nfs/dbraw/zinc/86/00/29/387860029.db2.gz GDHISXKXOARBDG-XQHKEYJVSA-N 2 2 224.348 1.117 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000424175628 387883541 /nfs/dbraw/zinc/88/35/41/387883541.db2.gz QDFMDSLZHOCZLS-XUXIUFHCSA-N 2 2 238.375 1.507 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000424175628 387883546 /nfs/dbraw/zinc/88/35/46/387883546.db2.gz QDFMDSLZHOCZLS-XUXIUFHCSA-N 2 2 238.375 1.507 20 30 BDEDLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424194949 387917257 /nfs/dbraw/zinc/91/72/57/387917257.db2.gz MGNJJSSWYZSNQR-RVMXOQNASA-N 2 2 221.348 1.608 20 30 BDEDLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424194949 387917263 /nfs/dbraw/zinc/91/72/63/387917263.db2.gz MGNJJSSWYZSNQR-RVMXOQNASA-N 2 2 221.348 1.608 20 30 BDEDLP C=C(C)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423158689 387938407 /nfs/dbraw/zinc/93/84/07/387938407.db2.gz WZGYFPJVGXBLMB-QWHCGFSZSA-N 2 2 224.348 1.309 20 30 BDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423166063 387950179 /nfs/dbraw/zinc/95/01/79/387950179.db2.gz CBXGFOZQBKNKPP-NEPJUHHUSA-N 2 2 239.363 1.283 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424370500 387995130 /nfs/dbraw/zinc/99/51/30/387995130.db2.gz DKDNDTYMTBOCHI-NNYUYHANSA-N 2 2 207.321 1.266 20 30 BDEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+](C)C ZINC000449227204 388159630 /nfs/dbraw/zinc/15/96/30/388159630.db2.gz SZJYCXQFKGNIJV-HIFPTAJRSA-N 2 2 223.364 1.999 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389242 388192403 /nfs/dbraw/zinc/19/24/03/388192403.db2.gz CGZOOXOTLRWSLG-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389242 388192405 /nfs/dbraw/zinc/19/24/05/388192405.db2.gz CGZOOXOTLRWSLG-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C#CC[NH+]1CCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000491092054 388268677 /nfs/dbraw/zinc/26/86/77/388268677.db2.gz ASUNSRASYDUKQH-UHFFFAOYSA-N 2 2 244.342 1.103 20 30 BDEDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000037749426 388618140 /nfs/dbraw/zinc/61/81/40/388618140.db2.gz GNMUQPWXKRZZQG-RISCZKNCSA-N 2 2 247.342 1.131 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000137459824 388561298 /nfs/dbraw/zinc/56/12/98/388561298.db2.gz XIWVJOPHFKGAOU-ZDUSSCGKSA-N 2 2 248.374 1.512 20 30 BDEDLP CC[NH2+]CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423236643 388690046 /nfs/dbraw/zinc/69/00/46/388690046.db2.gz OTUPRFXENXIGGT-CQSZACIVSA-N 2 2 229.327 1.745 20 30 BDEDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423241710 388690080 /nfs/dbraw/zinc/69/00/80/388690080.db2.gz VGVBKOGQISCDGM-FZMZJTMJSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@H](C#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000054180884 132363760 /nfs/dbraw/zinc/36/37/60/132363760.db2.gz AQDARHLCGIHDED-GFCCVEGCSA-N 2 2 244.342 1.800 20 30 BDEDLP CCc1ccc([C@H](CNC(=[NH2+])NC)[NH+](C)C)cc1 ZINC000264137369 135134954 /nfs/dbraw/zinc/13/49/54/135134954.db2.gz VLHYRXVULDWMQR-ZDUSSCGKSA-N 2 2 248.374 1.386 20 30 BDEDLP C[C@H]1C[NH+]=C(NCC[N@H+](C)Cc2ccccc2)N1 ZINC000262474638 135301060 /nfs/dbraw/zinc/30/10/60/135301060.db2.gz BWGMVCNCKDLWJF-LBPRGKRZSA-N 2 2 246.358 1.056 20 30 BDEDLP C[C@H]1C[NH+]=C(NCC[N@@H+](C)Cc2ccccc2)N1 ZINC000262474638 135301063 /nfs/dbraw/zinc/30/10/63/135301063.db2.gz BWGMVCNCKDLWJF-LBPRGKRZSA-N 2 2 246.358 1.056 20 30 BDEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000335323184 136050653 /nfs/dbraw/zinc/05/06/53/136050653.db2.gz VUEFQQACGSWDHR-ZDUSSCGKSA-N 2 2 219.332 1.318 20 30 BDEDLP C[N@H+]1CC[C@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000335323184 136050654 /nfs/dbraw/zinc/05/06/54/136050654.db2.gz VUEFQQACGSWDHR-ZDUSSCGKSA-N 2 2 219.332 1.318 20 30 BDEDLP C[NH+]1CC[C@]2(CC[N@H+](CC3(C#N)CC3)C2)C1 ZINC000335323184 136050655 /nfs/dbraw/zinc/05/06/55/136050655.db2.gz VUEFQQACGSWDHR-ZDUSSCGKSA-N 2 2 219.332 1.318 20 30 BDEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC3(C#N)CC3)C2)C1 ZINC000335323184 136050656 /nfs/dbraw/zinc/05/06/56/136050656.db2.gz VUEFQQACGSWDHR-ZDUSSCGKSA-N 2 2 219.332 1.318 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153299 412009518 /nfs/dbraw/zinc/00/95/18/412009518.db2.gz AGAVAHOOLZWBNM-ZDUSSCGKSA-N 2 2 224.348 1.094 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153299 412009522 /nfs/dbraw/zinc/00/95/22/412009522.db2.gz AGAVAHOOLZWBNM-ZDUSSCGKSA-N 2 2 224.348 1.094 20 30 BDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639867 176268569 /nfs/dbraw/zinc/26/85/69/176268569.db2.gz YLGSSUPXCLGATL-RISCZKNCSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639867 176268570 /nfs/dbraw/zinc/26/85/70/176268570.db2.gz YLGSSUPXCLGATL-RISCZKNCSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000290639867 176268571 /nfs/dbraw/zinc/26/85/71/176268571.db2.gz YLGSSUPXCLGATL-RISCZKNCSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290639867 176268572 /nfs/dbraw/zinc/26/85/72/176268572.db2.gz YLGSSUPXCLGATL-RISCZKNCSA-N 2 2 247.342 1.923 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946533 487889778 /nfs/dbraw/zinc/88/97/78/487889778.db2.gz HTRYKXSVMJWAMO-VWYCJHECSA-N 2 2 200.301 1.631 20 30 BDEDLP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000566748405 323013112 /nfs/dbraw/zinc/01/31/12/323013112.db2.gz JPCMEZVWMSJPAW-NSHDSACASA-N 2 2 223.320 1.003 20 30 BDEDLP C[NH+](C)CC1(C[NH2+]CCC#N)CCCC1 ZINC000571278349 323139809 /nfs/dbraw/zinc/13/98/09/323139809.db2.gz QOKPSSXEXZUFDG-UHFFFAOYSA-N 2 2 209.337 1.612 20 30 BDEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135180088 325399303 /nfs/dbraw/zinc/39/93/03/325399303.db2.gz YQLZJXAHXSYGEH-LLVKDONJSA-N 2 2 233.315 1.583 20 30 BDEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135180088 325399304 /nfs/dbraw/zinc/39/93/04/325399304.db2.gz YQLZJXAHXSYGEH-LLVKDONJSA-N 2 2 233.315 1.583 20 30 BDEDLP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000566245528 326022970 /nfs/dbraw/zinc/02/29/70/326022970.db2.gz NAJQOWCOGCRVJP-WFASDCNBSA-N 2 2 243.354 1.983 20 30 BDEDLP C#CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153988714 326124006 /nfs/dbraw/zinc/12/40/06/326124006.db2.gz KZIQOHXQXGBEDY-GASCZTMLSA-N 2 2 249.402 1.110 20 30 BDEDLP C#CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153988714 326124008 /nfs/dbraw/zinc/12/40/08/326124008.db2.gz KZIQOHXQXGBEDY-GASCZTMLSA-N 2 2 249.402 1.110 20 30 BDEDLP C#CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153988926 326124025 /nfs/dbraw/zinc/12/40/25/326124025.db2.gz KZIQOHXQXGBEDY-HUUCEWRRSA-N 2 2 249.402 1.110 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000568164304 326317103 /nfs/dbraw/zinc/31/71/03/326317103.db2.gz PHPPSAXKLSJJBP-LLVKDONJSA-N 2 2 230.315 1.513 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000568164304 326317104 /nfs/dbraw/zinc/31/71/04/326317104.db2.gz PHPPSAXKLSJJBP-LLVKDONJSA-N 2 2 230.315 1.513 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000568164305 326317257 /nfs/dbraw/zinc/31/72/57/326317257.db2.gz PHPPSAXKLSJJBP-NSHDSACASA-N 2 2 230.315 1.513 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000568164305 326317259 /nfs/dbraw/zinc/31/72/59/326317259.db2.gz PHPPSAXKLSJJBP-NSHDSACASA-N 2 2 230.315 1.513 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568249324 326334830 /nfs/dbraw/zinc/33/48/30/326334830.db2.gz NNYMWAKFWJKPSV-GXTWGEPZSA-N 3 2 237.391 1.496 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCCO)CC1 ZINC000679341033 488342099 /nfs/dbraw/zinc/34/20/99/488342099.db2.gz ITWANBROQSIVNC-CYBMUJFWSA-N 2 2 240.391 1.778 20 30 BDEDLP C=C[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352468102 534539803 /nfs/dbraw/zinc/53/98/03/534539803.db2.gz ZDPYWHUVUBTQIG-ZDUSSCGKSA-N 2 2 243.310 1.509 20 30 BDEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779282 535781275 /nfs/dbraw/zinc/78/12/75/535781275.db2.gz NUMZJWLRXSAWHW-NWDGAFQWSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779282 535781277 /nfs/dbraw/zinc/78/12/77/535781277.db2.gz NUMZJWLRXSAWHW-NWDGAFQWSA-N 2 2 221.348 1.610 20 30 BDEDLP CCNC(NCc1cn2c([nH+]1)CCCC2)=[NH+]CC ZINC000264265561 535786847 /nfs/dbraw/zinc/78/68/47/535786847.db2.gz KHPCCRGYBRYKEA-UHFFFAOYSA-N 2 2 249.362 1.294 20 30 BDEDLP C[N@H+](CCCO)C1CC[NH+](CCCC#N)CC1 ZINC000115547505 536357024 /nfs/dbraw/zinc/35/70/24/536357024.db2.gz QXLXFUONZQQTMD-UHFFFAOYSA-N 2 2 239.363 1.069 20 30 BDEDLP C[N@@H+](CCCO)C1CC[NH+](CCCC#N)CC1 ZINC000115547505 536357026 /nfs/dbraw/zinc/35/70/26/536357026.db2.gz QXLXFUONZQQTMD-UHFFFAOYSA-N 2 2 239.363 1.069 20 30 BDEDLP C[NH+]1CCC(C[N@@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000893930110 583250221 /nfs/dbraw/zinc/25/02/21/583250221.db2.gz QBTGZWVXUANWEG-GFCCVEGCSA-N 2 2 225.311 1.266 20 30 BDEDLP C[NH+]1CCC(C[N@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000893930110 583250223 /nfs/dbraw/zinc/25/02/23/583250223.db2.gz QBTGZWVXUANWEG-GFCCVEGCSA-N 2 2 225.311 1.266 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000775571119 583094147 /nfs/dbraw/zinc/09/41/47/583094147.db2.gz AJKIZGMBMNVAML-QPSCCSFWSA-N 2 2 248.370 1.384 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000775571119 583094150 /nfs/dbraw/zinc/09/41/50/583094150.db2.gz AJKIZGMBMNVAML-QPSCCSFWSA-N 2 2 248.370 1.384 20 30 BDEDLP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000893674894 583194293 /nfs/dbraw/zinc/19/42/93/583194293.db2.gz ANNFGMIKEYFHHB-ARQSVGKCSA-N 2 2 248.370 1.382 20 30 BDEDLP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000893674894 583194295 /nfs/dbraw/zinc/19/42/95/583194295.db2.gz ANNFGMIKEYFHHB-ARQSVGKCSA-N 2 2 248.370 1.382 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122774843 583557177 /nfs/dbraw/zinc/55/71/77/583557177.db2.gz VQMKCLVYUFOFPH-ZJUUUORDSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122774843 583557179 /nfs/dbraw/zinc/55/71/79/583557179.db2.gz VQMKCLVYUFOFPH-ZJUUUORDSA-N 2 2 202.729 1.798 20 30 BDEDLP C[NH+]1CCC2(CC[N@@H+]2C[C@H](C#N)CCC#N)CC1 ZINC000899911059 584252774 /nfs/dbraw/zinc/25/27/74/584252774.db2.gz PFKJYEAQCSGWGU-ZDUSSCGKSA-N 2 2 246.358 1.600 20 30 BDEDLP C[NH+]1CCC2(CC[N@H+]2C[C@H](C#N)CCC#N)CC1 ZINC000899911059 584252775 /nfs/dbraw/zinc/25/27/75/584252775.db2.gz PFKJYEAQCSGWGU-ZDUSSCGKSA-N 2 2 246.358 1.600 20 30 BDEDLP CC(=[NH+]OCCC1CC1)c1c[nH]c(N)[nH+]1 ZINC000901245798 584408393 /nfs/dbraw/zinc/40/83/93/584408393.db2.gz NUHXZBPOVMZACA-UHFFFAOYSA-N 2 2 208.265 1.533 20 30 BDEDLP N#CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000903105878 584728225 /nfs/dbraw/zinc/72/82/25/584728225.db2.gz IGNYZKSTHFNQTK-UHFFFAOYSA-N 2 2 219.332 1.507 20 30 BDEDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903424710 584764832 /nfs/dbraw/zinc/76/48/32/584764832.db2.gz CRCDEYWVQPYTJT-VIFPVBQESA-N 2 2 237.734 1.991 20 30 BDEDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903424710 584764835 /nfs/dbraw/zinc/76/48/35/584764835.db2.gz CRCDEYWVQPYTJT-VIFPVBQESA-N 2 2 237.734 1.991 20 30 BDEDLP C[C@@]1(C[N@@H+]2CCC[C@@H](C#N)C2)CC[NH2+]C1 ZINC000903987836 584835893 /nfs/dbraw/zinc/83/58/93/584835893.db2.gz KYTIMYNUPGJNPK-NWDGAFQWSA-N 2 2 207.321 1.222 20 30 BDEDLP C[C@@]1(C[N@H+]2CCC[C@@H](C#N)C2)CC[NH2+]C1 ZINC000903987836 584835895 /nfs/dbraw/zinc/83/58/95/584835895.db2.gz KYTIMYNUPGJNPK-NWDGAFQWSA-N 2 2 207.321 1.222 20 30 BDEDLP C[C@]1(C[N@@H+]2CCC[C@@H](C#N)C2)CC[NH2+]C1 ZINC000903987837 584836080 /nfs/dbraw/zinc/83/60/80/584836080.db2.gz KYTIMYNUPGJNPK-RYUDHWBXSA-N 2 2 207.321 1.222 20 30 BDEDLP C[C@]1(C[N@H+]2CCC[C@@H](C#N)C2)CC[NH2+]C1 ZINC000903987837 584836081 /nfs/dbraw/zinc/83/60/81/584836081.db2.gz KYTIMYNUPGJNPK-RYUDHWBXSA-N 2 2 207.321 1.222 20 30 BDEDLP CC(C)C[N@H+](CCC#N)CCc1c[nH+]cn1C ZINC000838853954 585074957 /nfs/dbraw/zinc/07/49/57/585074957.db2.gz OHBWNMKRILWIQQ-UHFFFAOYSA-N 2 2 234.347 1.834 20 30 BDEDLP CC(C)C[N@@H+](CCC#N)CCc1c[nH+]cn1C ZINC000838853954 585074958 /nfs/dbraw/zinc/07/49/58/585074958.db2.gz OHBWNMKRILWIQQ-UHFFFAOYSA-N 2 2 234.347 1.834 20 30 BDEDLP C=C(Cl)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000839533367 585329114 /nfs/dbraw/zinc/32/91/14/585329114.db2.gz ILHZEXGKPSKIIH-UHFFFAOYSA-N 2 2 245.798 1.308 20 30 BDEDLP C=C(Cl)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000839533367 585329115 /nfs/dbraw/zinc/32/91/15/585329115.db2.gz ILHZEXGKPSKIIH-UHFFFAOYSA-N 2 2 245.798 1.308 20 30 BDEDLP CCOCCO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000774422854 585658304 /nfs/dbraw/zinc/65/83/04/585658304.db2.gz PWFMZDRODDDPJE-UHFFFAOYSA-N 2 2 237.303 1.535 20 30 BDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000775572990 585680573 /nfs/dbraw/zinc/68/05/73/585680573.db2.gz FFZXUBHRUFUHCE-ZIAGYGMSSA-N 2 2 236.359 1.241 20 30 BDEDLP CC[C@H](C)N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000790184647 585960142 /nfs/dbraw/zinc/96/01/42/585960142.db2.gz ZEGYUCMNZFLEDM-JTQLQIEISA-N 2 2 220.320 1.870 20 30 BDEDLP CC(C)[NH2+]C1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801932793 586278229 /nfs/dbraw/zinc/27/82/29/586278229.db2.gz YBFBKISATJIWKG-GFCCVEGCSA-N 2 2 239.363 1.377 20 30 BDEDLP C#CC[C@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000821206300 587101477 /nfs/dbraw/zinc/10/14/77/587101477.db2.gz BUMGKVGGABNZJZ-GFCCVEGCSA-N 2 2 243.310 1.117 20 30 BDEDLP C#CC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000830350494 587547109 /nfs/dbraw/zinc/54/71/09/587547109.db2.gz DIAZSLYLMJUKFE-UHFFFAOYSA-N 2 2 217.316 1.308 20 30 BDEDLP C#CCOCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000851837974 588633982 /nfs/dbraw/zinc/63/39/82/588633982.db2.gz BJCYSZKKOBNHTG-UHFFFAOYSA-N 2 2 224.348 1.099 20 30 BDEDLP C#CCOCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000851858362 588636034 /nfs/dbraw/zinc/63/60/34/588636034.db2.gz MHYWCGUWIQQTKB-KGLIPLIRSA-N 2 2 247.342 1.416 20 30 BDEDLP C#CCOCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000851858362 588636035 /nfs/dbraw/zinc/63/60/35/588636035.db2.gz MHYWCGUWIQQTKB-KGLIPLIRSA-N 2 2 247.342 1.416 20 30 BDEDLP CC(=NNc1cc[nH+]c(C)c1)c1cn(C)c(C)[nH+]1 ZINC000863159055 589264171 /nfs/dbraw/zinc/26/41/71/589264171.db2.gz ARIGMABHNGOOKB-UHFFFAOYSA-N 2 2 243.314 1.690 20 30 BDEDLP Cc1cc(NN=Cc2c[nH+]c3n2CCC3)cc[nH+]1 ZINC000863161209 589264974 /nfs/dbraw/zinc/26/49/74/589264974.db2.gz ZJIQCROIJIDTMP-UHFFFAOYSA-N 2 2 241.298 1.401 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OCC(F)F ZINC000872367379 589922009 /nfs/dbraw/zinc/92/20/09/589922009.db2.gz VCXFAUCMCZEFJH-UHFFFAOYSA-N 2 2 215.203 1.588 20 30 BDEDLP C#CC1([NH2+]Cc2c[nH+]cn2C)CCCC1 ZINC000883363307 591632086 /nfs/dbraw/zinc/63/20/86/591632086.db2.gz ZZGMFWBITUTFIH-UHFFFAOYSA-N 2 2 203.289 1.456 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000883390297 591641557 /nfs/dbraw/zinc/64/15/57/591641557.db2.gz JBZPZHWTIVTIHO-YNEHKIRRSA-N 2 2 238.375 1.528 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000883390297 591641561 /nfs/dbraw/zinc/64/15/61/591641561.db2.gz JBZPZHWTIVTIHO-YNEHKIRRSA-N 2 2 238.375 1.528 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246099630 987420898 /nfs/dbraw/zinc/42/08/98/987420898.db2.gz RRDRTIJNIFEWSP-GRYCIOLGSA-N 2 2 209.337 1.656 20 30 BDEDLP C=CC(C)(C)CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925730871 634559117 /nfs/dbraw/zinc/55/91/17/634559117.db2.gz RKQGCKRNRPZXJU-GFCCVEGCSA-N 2 2 226.364 1.557 20 30 BDEDLP C=CC(C)(C)CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925730872 634559601 /nfs/dbraw/zinc/55/96/01/634559601.db2.gz RKQGCKRNRPZXJU-LBPRGKRZSA-N 2 2 226.364 1.557 20 30 BDEDLP C#C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000934514024 631896789 /nfs/dbraw/zinc/89/67/89/631896789.db2.gz FAOPTIXLKRQKCE-GFCCVEGCSA-N 2 2 203.289 1.371 20 30 BDEDLP C#C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000934514024 631896790 /nfs/dbraw/zinc/89/67/90/631896790.db2.gz FAOPTIXLKRQKCE-GFCCVEGCSA-N 2 2 203.289 1.371 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1F ZINC000328058608 633229003 /nfs/dbraw/zinc/22/90/03/633229003.db2.gz AZPWOUKFBNYEQX-UHFFFAOYSA-N 2 2 234.318 1.870 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1F ZINC000328058608 633229006 /nfs/dbraw/zinc/22/90/06/633229006.db2.gz AZPWOUKFBNYEQX-UHFFFAOYSA-N 2 2 234.318 1.870 20 30 BDEDLP C#CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287892 640136181 /nfs/dbraw/zinc/13/61/81/640136181.db2.gz WJCFWJRVLRQJIZ-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP C#CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287892 640136184 /nfs/dbraw/zinc/13/61/84/640136184.db2.gz WJCFWJRVLRQJIZ-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311322 640146875 /nfs/dbraw/zinc/14/68/75/640146875.db2.gz LZPREMUHIVXNPO-IHRRRGAJSA-N 2 2 238.375 1.197 20 30 BDEDLP C=C(C)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931507949 640239020 /nfs/dbraw/zinc/23/90/20/640239020.db2.gz CRISVEYBIVCXSV-UHFFFAOYSA-N 2 2 203.289 1.598 20 30 BDEDLP C=C(C)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931507949 640239027 /nfs/dbraw/zinc/23/90/27/640239027.db2.gz CRISVEYBIVCXSV-UHFFFAOYSA-N 2 2 203.289 1.598 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069627070 642521296 /nfs/dbraw/zinc/52/12/96/642521296.db2.gz SNMFZNAQZONFGG-ZJUUUORDSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069627070 642521302 /nfs/dbraw/zinc/52/13/02/642521302.db2.gz SNMFZNAQZONFGG-ZJUUUORDSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516209 644479710 /nfs/dbraw/zinc/47/97/10/644479710.db2.gz VBZDEQISGNHLSG-VHSXEESVSA-N 2 2 200.713 1.280 20 30 BDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516209 644479713 /nfs/dbraw/zinc/47/97/13/644479713.db2.gz VBZDEQISGNHLSG-VHSXEESVSA-N 2 2 200.713 1.280 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000847017950 645417176 /nfs/dbraw/zinc/41/71/76/645417176.db2.gz FZWXNBVHAHSCQZ-ZDUSSCGKSA-N 2 2 231.343 1.698 20 30 BDEDLP C#C[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000847017950 645417186 /nfs/dbraw/zinc/41/71/86/645417186.db2.gz FZWXNBVHAHSCQZ-ZDUSSCGKSA-N 2 2 231.343 1.698 20 30 BDEDLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000925633301 646378779 /nfs/dbraw/zinc/37/87/79/646378779.db2.gz DGKYEDQALIVMAO-DGCLKSJQSA-N 2 2 217.316 1.968 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926152784 646585789 /nfs/dbraw/zinc/58/57/89/646585789.db2.gz KKRABNKFBVOSNS-MCIONIFRSA-N 2 2 238.375 1.530 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926152784 646585797 /nfs/dbraw/zinc/58/57/97/646585797.db2.gz KKRABNKFBVOSNS-MCIONIFRSA-N 2 2 238.375 1.530 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000390444420 711118019 /nfs/dbraw/zinc/11/80/19/711118019.db2.gz WVQPHVWSNVRRNQ-NWDGAFQWSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000390444420 711118021 /nfs/dbraw/zinc/11/80/21/711118021.db2.gz WVQPHVWSNVRRNQ-NWDGAFQWSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[NH+]1CCC([NH+]2CCC(C#N)CC2)CC1 ZINC001169244254 969531900 /nfs/dbraw/zinc/53/19/00/969531900.db2.gz JZFBIWGAFRIRRZ-UHFFFAOYSA-N 2 2 221.348 1.706 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247687 979469107 /nfs/dbraw/zinc/46/91/07/979469107.db2.gz WKRVIDNWWBTFAN-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247687 979469110 /nfs/dbraw/zinc/46/91/10/979469110.db2.gz WKRVIDNWWBTFAN-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)ns1 ZINC000404420273 971161178 /nfs/dbraw/zinc/16/11/78/971161178.db2.gz RKSBTAPIOZBEQB-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)ns1 ZINC000404420273 971161183 /nfs/dbraw/zinc/16/11/83/971161183.db2.gz RKSBTAPIOZBEQB-UHFFFAOYSA-N 2 2 237.372 1.496 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccccc2CC#N)C[C@H]1[NH3+] ZINC001206070590 971314750 /nfs/dbraw/zinc/31/47/50/971314750.db2.gz NHALIBLFYYHHCV-BXUZGUMPSA-N 2 2 229.327 1.532 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2CC#N)C[C@H]1[NH3+] ZINC001206070590 971314758 /nfs/dbraw/zinc/31/47/58/971314758.db2.gz NHALIBLFYYHHCV-BXUZGUMPSA-N 2 2 229.327 1.532 20 30 BDEDLP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc[nH+]c1N ZINC001218455330 971823970 /nfs/dbraw/zinc/82/39/70/971823970.db2.gz KIXSSLRXFWVGFX-GHMZBOCLSA-N 2 2 233.315 1.739 20 30 BDEDLP C[C@@H]([NH3+])CCNc1[nH+]cccc1CC#N ZINC001170887016 972035322 /nfs/dbraw/zinc/03/53/22/972035322.db2.gz ORXMYOABJFTULM-SECBINFHSA-N 2 2 204.277 1.297 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154990410 962932230 /nfs/dbraw/zinc/93/22/30/962932230.db2.gz XJHOWFKRZAJDJF-NEPJUHHUSA-N 2 2 230.315 1.829 20 30 BDEDLP N#Cc1cccc(CCC[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001236013776 966228079 /nfs/dbraw/zinc/22/80/79/966228079.db2.gz BTYAHRLSTJFSJS-HUUCEWRRSA-N 2 2 241.338 1.524 20 30 BDEDLP N#Cc1cccc(CCC[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001236013776 966228090 /nfs/dbraw/zinc/22/80/90/966228090.db2.gz BTYAHRLSTJFSJS-HUUCEWRRSA-N 2 2 241.338 1.524 20 30 BDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(C#N)cc1 ZINC001205064808 967323117 /nfs/dbraw/zinc/32/31/17/967323117.db2.gz WIWXNERNWRRHBL-FZMZJTMJSA-N 2 2 229.327 1.870 20 30 BDEDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(C#N)cc1 ZINC001205064808 967323125 /nfs/dbraw/zinc/32/31/25/967323125.db2.gz WIWXNERNWRRHBL-FZMZJTMJSA-N 2 2 229.327 1.870 20 30 BDEDLP C#CC[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208186421 969116359 /nfs/dbraw/zinc/11/63/59/969116359.db2.gz QLPCQARFNZYJQL-UHFFFAOYSA-N 2 2 208.349 1.673 20 30 BDEDLP C#CC[N@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208186421 969116366 /nfs/dbraw/zinc/11/63/66/969116366.db2.gz QLPCQARFNZYJQL-UHFFFAOYSA-N 2 2 208.349 1.673 20 30 BDEDLP C#Cc1cc(NC2=CC[N@H+](C)CC2)cc[nH+]1 ZINC001208720201 969202629 /nfs/dbraw/zinc/20/26/29/969202629.db2.gz YTRSKIBXRXWHLO-UHFFFAOYSA-N 2 2 213.284 1.116 20 30 BDEDLP C#Cc1cc(NC2=CC[N@@H+](C)CC2)cc[nH+]1 ZINC001208720201 969202633 /nfs/dbraw/zinc/20/26/33/969202633.db2.gz YTRSKIBXRXWHLO-UHFFFAOYSA-N 2 2 213.284 1.116 20 30 BDEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254650006 969763717 /nfs/dbraw/zinc/76/37/17/969763717.db2.gz SEWGILCHTWWHDP-MCIONIFRSA-N 2 2 235.375 1.999 20 30 BDEDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254650006 969763723 /nfs/dbraw/zinc/76/37/23/969763723.db2.gz SEWGILCHTWWHDP-MCIONIFRSA-N 2 2 235.375 1.999 20 30 BDEDLP N#CC1CC([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848396 969803185 /nfs/dbraw/zinc/80/31/85/969803185.db2.gz OOXVEENHORDDOZ-BPCQOVAHSA-N 2 2 219.332 1.362 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001327993000 972844604 /nfs/dbraw/zinc/84/46/04/972844604.db2.gz SZXSRMYHHACRLQ-GHMZBOCLSA-N 2 2 243.314 1.300 20 30 BDEDLP C#CC[NH+](CC#C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130739 974355369 /nfs/dbraw/zinc/35/53/69/974355369.db2.gz QXZNYLUURZBANW-FICVDOATSA-N 2 2 230.355 1.570 20 30 BDEDLP C#CC[NH+](CC#C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130739 974355377 /nfs/dbraw/zinc/35/53/77/974355377.db2.gz QXZNYLUURZBANW-FICVDOATSA-N 2 2 230.355 1.570 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172295170 974564390 /nfs/dbraw/zinc/56/43/90/974564390.db2.gz PTMYRXOOUBMNTI-RISCZKNCSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172295170 974564395 /nfs/dbraw/zinc/56/43/95/974564395.db2.gz PTMYRXOOUBMNTI-RISCZKNCSA-N 2 2 229.327 1.522 20 30 BDEDLP C=CCO[C@H]1CC[N@@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC001332867516 975301225 /nfs/dbraw/zinc/30/12/25/975301225.db2.gz JBKPOXRXYMWSNK-LBPRGKRZSA-N 2 2 235.331 1.803 20 30 BDEDLP C=CCO[C@H]1CC[N@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC001332867516 975301232 /nfs/dbraw/zinc/30/12/32/975301232.db2.gz JBKPOXRXYMWSNK-LBPRGKRZSA-N 2 2 235.331 1.803 20 30 BDEDLP C#Cc1cc(Nc2cc[nH+]cc2C)cc[nH+]1 ZINC001174536311 976815828 /nfs/dbraw/zinc/81/58/28/976815828.db2.gz UGUVEZBBYFHUCN-UHFFFAOYSA-N 2 2 209.252 1.932 20 30 BDEDLP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)Cn1cc[nH+]c1 ZINC001335943005 977378838 /nfs/dbraw/zinc/37/88/38/977378838.db2.gz UQIDKROXAHNWLD-OLZOCXBDSA-N 2 2 245.330 1.552 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CCn2c[nH+]cc2C1 ZINC001336821037 977984308 /nfs/dbraw/zinc/98/43/08/977984308.db2.gz YCESLXBIIAWBES-NEPJUHHUSA-N 2 2 243.314 1.231 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001236895483 979787569 /nfs/dbraw/zinc/78/75/69/979787569.db2.gz QKLWHBSVRPLZOX-JTQLQIEISA-N 2 2 242.326 1.819 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001236895483 979787571 /nfs/dbraw/zinc/78/75/71/979787571.db2.gz QKLWHBSVRPLZOX-JTQLQIEISA-N 2 2 242.326 1.819 20 30 BDEDLP Cn1c[nH+]cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240345518 981308502 /nfs/dbraw/zinc/30/85/02/981308502.db2.gz KKLLDYXYARWOMU-UHFFFAOYSA-N 2 2 238.294 1.646 20 30 BDEDLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001579122819 985785887 /nfs/dbraw/zinc/78/58/87/985785887.db2.gz CGWYKROKBMDCPI-QZQSVVMZSA-N 2 2 237.347 1.035 20 30 BDEDLP C=C[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001253586202 986164978 /nfs/dbraw/zinc/16/49/78/986164978.db2.gz HTGPOAMACIIPJB-STQMWFEESA-N 2 2 248.326 1.390 20 30 BDEDLP C=C[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001253586202 986164996 /nfs/dbraw/zinc/16/49/96/986164996.db2.gz HTGPOAMACIIPJB-STQMWFEESA-N 2 2 248.326 1.390 20 30 BDEDLP C=C[C@](C)(O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246018027 987299813 /nfs/dbraw/zinc/29/98/13/987299813.db2.gz FEYNZXKCPBCNSX-OLZOCXBDSA-N 2 2 220.316 1.213 20 30 BDEDLP N#CC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246078370 987368281 /nfs/dbraw/zinc/36/82/81/987368281.db2.gz AWEVQDJUTKCHML-HCWSGVFWSA-N 2 2 225.311 1.358 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098110 987412202 /nfs/dbraw/zinc/41/22/02/987412202.db2.gz JFAVXJHVCBLNMB-SDDRHHMPSA-N 2 2 209.337 1.514 20 30 BDEDLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH2+]C1 ZINC001246116632 987458691 /nfs/dbraw/zinc/45/86/91/987458691.db2.gz WFOFQZYNIAEHNV-YVECIDJPSA-N 2 2 221.348 1.656 20 30 BDEDLP C#CC[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC001116428353 987566950 /nfs/dbraw/zinc/56/69/50/987566950.db2.gz UAONPWDCOAXENN-UHFFFAOYSA-N 2 2 203.289 1.228 20 30 BDEDLP C#CC[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC001116428353 987566959 /nfs/dbraw/zinc/56/69/59/987566959.db2.gz UAONPWDCOAXENN-UHFFFAOYSA-N 2 2 203.289 1.228 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246265693 987658326 /nfs/dbraw/zinc/65/83/26/987658326.db2.gz PWGDPPYKFRYUAV-WFASDCNBSA-N 2 2 228.339 1.898 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001118091043 988013627 /nfs/dbraw/zinc/01/36/27/988013627.db2.gz QYDWXLWXIFHHBA-NWDGAFQWSA-N 2 2 243.314 1.231 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585279 988136125 /nfs/dbraw/zinc/13/61/25/988136125.db2.gz ZTMLEDKARNNPNA-AGIUHOORSA-N 2 2 239.338 1.832 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585279 988136138 /nfs/dbraw/zinc/13/61/38/988136138.db2.gz ZTMLEDKARNNPNA-AGIUHOORSA-N 2 2 239.338 1.832 20 30 BDEDLP N#CCC1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246652669 988381151 /nfs/dbraw/zinc/38/11/51/988381151.db2.gz GZBAQYSCFWSDCV-GNRIBBGQSA-N 2 2 233.359 1.882 20 30 BDEDLP N#CCC1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246652669 988381160 /nfs/dbraw/zinc/38/11/60/988381160.db2.gz GZBAQYSCFWSDCV-GNRIBBGQSA-N 2 2 233.359 1.882 20 30 BDEDLP N#CCCCC[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC001326717101 989662809 /nfs/dbraw/zinc/66/28/09/989662809.db2.gz MZOFVKDIHYMIAJ-VIFPVBQESA-N 2 2 249.318 1.491 20 30 BDEDLP C#CC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC001308963262 991236244 /nfs/dbraw/zinc/23/62/44/991236244.db2.gz ISSGYQBCWISKKC-UHFFFAOYSA-N 2 2 226.283 1.332 20 30 BDEDLP C#CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC001308963262 991236249 /nfs/dbraw/zinc/23/62/49/991236249.db2.gz ISSGYQBCWISKKC-UHFFFAOYSA-N 2 2 226.283 1.332 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC001560313733 991452044 /nfs/dbraw/zinc/45/20/44/991452044.db2.gz PUVGAACTEPYUEC-UHFFFAOYSA-N 2 2 248.374 1.767 20 30 BDEDLP C=CCO[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC001320037522 992083350 /nfs/dbraw/zinc/08/33/50/992083350.db2.gz GWMRWMMDZPVUAN-CYBMUJFWSA-N 2 2 235.331 1.468 20 30 BDEDLP C=CCO[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC001320037522 992083357 /nfs/dbraw/zinc/08/33/57/992083357.db2.gz GWMRWMMDZPVUAN-CYBMUJFWSA-N 2 2 235.331 1.468 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC001573310831 992474018 /nfs/dbraw/zinc/47/40/18/992474018.db2.gz PLKUGBVCSZHKOI-UTUOFQBUSA-N 2 2 210.321 1.062 20 30 BDEDLP C=CCn1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])nn1 ZINC000424376794 398182236 /nfs/dbraw/zinc/18/22/36/398182236.db2.gz LYQTUOLLDDKOJB-OLZOCXBDSA-N 2 2 249.362 1.214 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000309497528 136218795 /nfs/dbraw/zinc/21/87/95/136218795.db2.gz YWBNXCJYCFNEIA-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[NH+](C)C ZINC000602504152 349581023 /nfs/dbraw/zinc/58/10/23/349581023.db2.gz KSBYOLAWNGTRDN-NSHDSACASA-N 2 2 211.353 1.856 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)CC1(C)C ZINC000600143523 342689727 /nfs/dbraw/zinc/68/97/27/342689727.db2.gz DFHRKGFJHZEZOE-NSHDSACASA-N 2 2 223.364 1.999 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)CC1(C)C ZINC000600143523 342689728 /nfs/dbraw/zinc/68/97/28/342689728.db2.gz DFHRKGFJHZEZOE-NSHDSACASA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000404651589 398294074 /nfs/dbraw/zinc/29/40/74/398294074.db2.gz RIFOAOSCGRFPQQ-HZMBPMFUSA-N 2 2 247.317 1.927 20 30 BDEDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C#N)c1 ZINC000235113598 342986716 /nfs/dbraw/zinc/98/67/16/342986716.db2.gz IFBCCFFLVRXPAK-JTQLQIEISA-N 2 2 203.289 1.337 20 30 BDEDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C#N)c1 ZINC000235113598 342986717 /nfs/dbraw/zinc/98/67/17/342986717.db2.gz IFBCCFFLVRXPAK-JTQLQIEISA-N 2 2 203.289 1.337 20 30 BDEDLP C[C@@H](C#N)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314383382 259345494 /nfs/dbraw/zinc/34/54/94/259345494.db2.gz QZVCHIIAEBSBET-NSHDSACASA-N 2 2 220.320 1.444 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314383382 259345496 /nfs/dbraw/zinc/34/54/96/259345496.db2.gz QZVCHIIAEBSBET-NSHDSACASA-N 2 2 220.320 1.444 20 30 BDEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1C ZINC000335842526 136354572 /nfs/dbraw/zinc/35/45/72/136354572.db2.gz RJOQRCOADUKBSI-NEPJUHHUSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1C ZINC000335842526 136354573 /nfs/dbraw/zinc/35/45/73/136354573.db2.gz RJOQRCOADUKBSI-NEPJUHHUSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842526 136354574 /nfs/dbraw/zinc/35/45/74/136354574.db2.gz RJOQRCOADUKBSI-NEPJUHHUSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842526 136354575 /nfs/dbraw/zinc/35/45/75/136354575.db2.gz RJOQRCOADUKBSI-NEPJUHHUSA-N 2 2 221.348 1.705 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982109 349833697 /nfs/dbraw/zinc/83/36/97/349833697.db2.gz NRVMKYHCTYXTNU-AAEUAGOBSA-N 2 2 232.331 1.587 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982109 349833700 /nfs/dbraw/zinc/83/37/00/349833700.db2.gz NRVMKYHCTYXTNU-AAEUAGOBSA-N 2 2 232.331 1.587 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000335128278 343928984 /nfs/dbraw/zinc/92/89/84/343928984.db2.gz GUGSNZLZLREMNT-DZGCQCFKSA-N 2 2 241.338 1.887 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166090777 344489334 /nfs/dbraw/zinc/48/93/34/344489334.db2.gz GFBMDNSFZJIGOT-GRYCIOLGSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166090777 344489337 /nfs/dbraw/zinc/48/93/37/344489337.db2.gz GFBMDNSFZJIGOT-GRYCIOLGSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404252982 530057746 /nfs/dbraw/zinc/05/77/46/530057746.db2.gz LNKBOANOEYMHES-CYBMUJFWSA-N 2 2 247.317 1.881 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404252982 530057747 /nfs/dbraw/zinc/05/77/47/530057747.db2.gz LNKBOANOEYMHES-CYBMUJFWSA-N 2 2 247.317 1.881 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000155787210 345102967 /nfs/dbraw/zinc/10/29/67/345102967.db2.gz NFBUZOXNVVUONA-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP CC#CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000155787210 345102968 /nfs/dbraw/zinc/10/29/68/345102968.db2.gz NFBUZOXNVVUONA-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP N#CCCOCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590159161 346783108 /nfs/dbraw/zinc/78/31/08/346783108.db2.gz XWETUTIMCDZPDF-ZDUSSCGKSA-N 2 2 248.330 1.450 20 30 BDEDLP C[C@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000592437210 347779238 /nfs/dbraw/zinc/77/92/38/347779238.db2.gz CUWFVYYBVWJOOZ-WRWGMCAJSA-N 2 2 207.321 1.266 20 30 BDEDLP N#Cc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000596102558 348439725 /nfs/dbraw/zinc/43/97/25/348439725.db2.gz DEROKDMMHUXJOU-UHFFFAOYSA-N 2 2 227.311 1.400 20 30 BDEDLP Cc1cc(NCC[C@H](C)[NH+](C)C)c(C#N)c[nH+]1 ZINC000596433235 348545822 /nfs/dbraw/zinc/54/58/22/348545822.db2.gz SLADMVSBAILEQY-NSHDSACASA-N 2 2 232.331 1.436 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268516918 166303356 /nfs/dbraw/zinc/30/33/56/166303356.db2.gz DVYOLCKUZPJMMI-ZDUSSCGKSA-N 2 2 249.358 1.916 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)cc1)CC1C[NH+](C)C1 ZINC000597202447 348676340 /nfs/dbraw/zinc/67/63/40/348676340.db2.gz BDEDHUWHDPQGFV-UHFFFAOYSA-N 2 2 229.327 1.552 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)cc1)CC1C[NH+](C)C1 ZINC000597202447 348676342 /nfs/dbraw/zinc/67/63/42/348676342.db2.gz BDEDHUWHDPQGFV-UHFFFAOYSA-N 2 2 229.327 1.552 20 30 BDEDLP N#CCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472559 349193970 /nfs/dbraw/zinc/19/39/70/349193970.db2.gz XTALHVQUJHOYDA-UHFFFAOYSA-N 2 2 237.347 1.087 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CCC#N)[C@@H](C)C1 ZINC000336653011 350420797 /nfs/dbraw/zinc/42/07/97/350420797.db2.gz XMNYRWBDBYIDQG-RYUDHWBXSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)CCC#N)[C@@H](C)C1 ZINC000336653011 350420799 /nfs/dbraw/zinc/42/07/99/350420799.db2.gz XMNYRWBDBYIDQG-RYUDHWBXSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)CCC#N)[C@@H](C)C1 ZINC000336653011 350420801 /nfs/dbraw/zinc/42/08/01/350420801.db2.gz XMNYRWBDBYIDQG-RYUDHWBXSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CCC#N)[C@@H](C)C1 ZINC000336653011 350420803 /nfs/dbraw/zinc/42/08/03/350420803.db2.gz XMNYRWBDBYIDQG-RYUDHWBXSA-N 2 2 209.337 1.562 20 30 BDEDLP CC1(C#N)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000227353565 350494043 /nfs/dbraw/zinc/49/40/43/350494043.db2.gz KXVQXXYFWIIWHC-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336780402 353587818 /nfs/dbraw/zinc/58/78/18/353587818.db2.gz RFXOCPWGTUDBRO-OLZOCXBDSA-N 2 2 226.364 1.509 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336780402 353587820 /nfs/dbraw/zinc/58/78/20/353587820.db2.gz RFXOCPWGTUDBRO-OLZOCXBDSA-N 2 2 226.364 1.509 20 30 BDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343313956 353624918 /nfs/dbraw/zinc/62/49/18/353624918.db2.gz LCHOXCXDGKDNMK-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343313956 353624920 /nfs/dbraw/zinc/62/49/20/353624920.db2.gz LCHOXCXDGKDNMK-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343313956 353624921 /nfs/dbraw/zinc/62/49/21/353624921.db2.gz LCHOXCXDGKDNMK-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343313956 353624923 /nfs/dbraw/zinc/62/49/23/353624923.db2.gz LCHOXCXDGKDNMK-CYBMUJFWSA-N 2 2 235.375 1.954 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000295011409 353795512 /nfs/dbraw/zinc/79/55/12/353795512.db2.gz MUTNNMGWFQYLMV-CQSZACIVSA-N 2 2 245.370 1.996 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000295011409 353795514 /nfs/dbraw/zinc/79/55/14/353795514.db2.gz MUTNNMGWFQYLMV-CQSZACIVSA-N 2 2 245.370 1.996 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000295011403 353795803 /nfs/dbraw/zinc/79/58/03/353795803.db2.gz MUTNNMGWFQYLMV-AWEZNQCLSA-N 2 2 245.370 1.996 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000295011403 353795805 /nfs/dbraw/zinc/79/58/05/353795805.db2.gz MUTNNMGWFQYLMV-AWEZNQCLSA-N 2 2 245.370 1.996 20 30 BDEDLP C=CC[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000343599584 353930390 /nfs/dbraw/zinc/93/03/90/353930390.db2.gz MVKPJVWXPVZJCQ-AWEZNQCLSA-N 2 2 234.343 1.849 20 30 BDEDLP C[NH+]1CCC2(CCC[N@H+](CC#N)C2)CC1 ZINC000366864870 354251977 /nfs/dbraw/zinc/25/19/77/354251977.db2.gz MHOVHTIYUYMBAR-UHFFFAOYSA-N 2 2 207.321 1.318 20 30 BDEDLP C[NH+]1CCC2(CCC[N@@H+](CC#N)C2)CC1 ZINC000366864870 354251978 /nfs/dbraw/zinc/25/19/78/354251978.db2.gz MHOVHTIYUYMBAR-UHFFFAOYSA-N 2 2 207.321 1.318 20 30 BDEDLP N#CCC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000582237042 356656262 /nfs/dbraw/zinc/65/62/62/356656262.db2.gz ZGZUMJQCHJETTP-UHFFFAOYSA-N 2 2 207.321 1.507 20 30 BDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000167749125 134153638 /nfs/dbraw/zinc/15/36/38/134153638.db2.gz CBQSRKSYXUCCGI-NXEZZACHSA-N 2 2 218.728 1.096 20 30 BDEDLP C=CC[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000628406189 357201693 /nfs/dbraw/zinc/20/16/93/357201693.db2.gz DLVQGIPSFDXNPN-LBPRGKRZSA-N 2 2 248.374 1.884 20 30 BDEDLP C=CCCCCC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000193339156 357877795 /nfs/dbraw/zinc/87/77/95/357877795.db2.gz KHTIBHCJSGFZCV-CQSZACIVSA-N 2 2 240.391 1.995 20 30 BDEDLP C=CCCCCC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000193339156 357877799 /nfs/dbraw/zinc/87/77/99/357877799.db2.gz KHTIBHCJSGFZCV-CQSZACIVSA-N 2 2 240.391 1.995 20 30 BDEDLP N#CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134898124 358809601 /nfs/dbraw/zinc/80/96/01/358809601.db2.gz ARDCBUWDCMJPHT-OCCSQVGLSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134898124 358809603 /nfs/dbraw/zinc/80/96/03/358809603.db2.gz ARDCBUWDCMJPHT-OCCSQVGLSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134898124 358809604 /nfs/dbraw/zinc/80/96/04/358809604.db2.gz ARDCBUWDCMJPHT-OCCSQVGLSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134898124 358809606 /nfs/dbraw/zinc/80/96/06/358809606.db2.gz ARDCBUWDCMJPHT-OCCSQVGLSA-N 2 2 233.359 1.849 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000578284861 366474217 /nfs/dbraw/zinc/47/42/17/366474217.db2.gz IHBMHZHCVDIIKF-CYBMUJFWSA-N 2 2 238.375 1.748 20 30 BDEDLP C=C(C)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000578284861 366474224 /nfs/dbraw/zinc/47/42/24/366474224.db2.gz IHBMHZHCVDIIKF-CYBMUJFWSA-N 2 2 238.375 1.748 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)C(C)C)CC1 ZINC000177911365 134301843 /nfs/dbraw/zinc/30/18/43/134301843.db2.gz ODZRRTNKHOGHHQ-CQSZACIVSA-N 2 2 240.391 1.897 20 30 BDEDLP C=C(C)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802897 359033514 /nfs/dbraw/zinc/03/35/14/359033514.db2.gz VSTMOAGTVTVJDD-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP C=C(C)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802897 359033518 /nfs/dbraw/zinc/03/35/18/359033518.db2.gz VSTMOAGTVTVJDD-CQSZACIVSA-N 2 2 238.375 1.607 20 30 BDEDLP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CC#N)CC1 ZINC000430021687 201138855 /nfs/dbraw/zinc/13/88/55/201138855.db2.gz JWGIHBWWGDBULZ-UHFFFAOYSA-N 2 2 244.342 1.931 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nccn2C)CC1 ZINC000182869828 366953513 /nfs/dbraw/zinc/95/35/13/366953513.db2.gz YIHMZQSSUAUUOV-LBPRGKRZSA-N 2 2 248.374 1.721 20 30 BDEDLP N#Cc1ccc(C[NH2+]CC2([NH3+])CCC2)o1 ZINC000600768907 369562670 /nfs/dbraw/zinc/56/26/70/369562670.db2.gz HTRGABXUWVGPRS-UHFFFAOYSA-N 2 2 205.261 1.122 20 30 BDEDLP CC1([NH2+]Cc2ccc(C#N)o2)CC[NH2+]CC1 ZINC000600769584 369564751 /nfs/dbraw/zinc/56/47/51/369564751.db2.gz OZITUMGTCPMYDP-UHFFFAOYSA-N 2 2 219.288 1.383 20 30 BDEDLP CC1([NH3+])CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000600770188 369564930 /nfs/dbraw/zinc/56/49/30/369564930.db2.gz WGZGTNSSWNKMGK-UHFFFAOYSA-N 2 2 219.288 1.464 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000601330775 369621587 /nfs/dbraw/zinc/62/15/87/369621587.db2.gz XCKXWTBELJAFPA-GXFFZTMASA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000601330775 369621590 /nfs/dbraw/zinc/62/15/90/369621590.db2.gz XCKXWTBELJAFPA-GXFFZTMASA-N 2 2 215.300 1.480 20 30 BDEDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523011 369805526 /nfs/dbraw/zinc/80/55/26/369805526.db2.gz YGNAZOYYBFXHIC-LBPRGKRZSA-N 2 2 244.342 1.385 20 30 BDEDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523011 369805530 /nfs/dbraw/zinc/80/55/30/369805530.db2.gz YGNAZOYYBFXHIC-LBPRGKRZSA-N 2 2 244.342 1.385 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1C#N ZINC000131916921 371713180 /nfs/dbraw/zinc/71/31/80/371713180.db2.gz LEHBWPZUTHZZRV-BXUZGUMPSA-N 2 2 229.327 1.870 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1C#N ZINC000131916921 371713189 /nfs/dbraw/zinc/71/31/89/371713189.db2.gz LEHBWPZUTHZZRV-BXUZGUMPSA-N 2 2 229.327 1.870 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000040671811 373587402 /nfs/dbraw/zinc/58/74/02/373587402.db2.gz YZPNZPIQFJBIAC-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000040671811 373587405 /nfs/dbraw/zinc/58/74/05/373587405.db2.gz YZPNZPIQFJBIAC-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP CC[N@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309489057 385618236 /nfs/dbraw/zinc/61/82/36/385618236.db2.gz WLLOIJMDBAWMPS-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309489057 385618240 /nfs/dbraw/zinc/61/82/40/385618240.db2.gz WLLOIJMDBAWMPS-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336770342 386015483 /nfs/dbraw/zinc/01/54/83/386015483.db2.gz VSCVGZWDXWXVCP-NWDGAFQWSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336770342 386015486 /nfs/dbraw/zinc/01/54/86/386015486.db2.gz VSCVGZWDXWXVCP-NWDGAFQWSA-N 2 2 228.405 1.835 20 30 BDEDLP O=C(NCC[NH+]1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328965802 386666447 /nfs/dbraw/zinc/66/64/47/386666447.db2.gz SIAIEPPPLTWZDG-NSHDSACASA-N 2 2 248.330 1.108 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417902058 387034121 /nfs/dbraw/zinc/03/41/21/387034121.db2.gz OVXXBIRXIPPHFG-ZDUSSCGKSA-N 2 2 238.375 1.794 20 30 BDEDLP Cc1cc(N2CCC([NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000399427469 387091576 /nfs/dbraw/zinc/09/15/76/387091576.db2.gz JXRQHSVZIBYFER-UHFFFAOYSA-N 2 2 244.342 1.792 20 30 BDEDLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423315926 387157443 /nfs/dbraw/zinc/15/74/43/387157443.db2.gz XSWDHEJCLCJECI-NWDGAFQWSA-N 2 2 209.337 1.658 20 30 BDEDLP CC[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418137092 387174082 /nfs/dbraw/zinc/17/40/82/387174082.db2.gz CZZJXNFMFPPUDP-UHFFFAOYSA-N 2 2 221.348 1.754 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423375160 387257867 /nfs/dbraw/zinc/25/78/67/387257867.db2.gz XOJDWMXCUFJYDD-VOAKCMCISA-N 2 2 221.348 1.656 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423524431 387356613 /nfs/dbraw/zinc/35/66/13/387356613.db2.gz OOWPZKUPRNAEKV-QJPTWQEYSA-N 2 2 212.337 1.165 20 30 BDEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423529820 387357709 /nfs/dbraw/zinc/35/77/09/387357709.db2.gz VYEXTSYHXSLSET-QWHCGFSZSA-N 2 2 226.364 1.699 20 30 BDEDLP C#CCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271209186 387441216 /nfs/dbraw/zinc/44/12/16/387441216.db2.gz HBYFFFYLQRKISY-OLZOCXBDSA-N 2 2 217.316 1.789 20 30 BDEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271209186 387441219 /nfs/dbraw/zinc/44/12/19/387441219.db2.gz HBYFFFYLQRKISY-OLZOCXBDSA-N 2 2 217.316 1.789 20 30 BDEDLP Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)c(C)[nH+]1 ZINC000424128356 387603146 /nfs/dbraw/zinc/60/31/46/387603146.db2.gz FHJGRJOPLORQHP-NSHDSACASA-N 2 2 246.314 1.658 20 30 BDEDLP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000423106530 387891325 /nfs/dbraw/zinc/89/13/25/387891325.db2.gz ZYEICJNMVNZUKZ-MNOVXSKESA-N 2 2 207.321 1.410 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453348522 388053488 /nfs/dbraw/zinc/05/34/88/388053488.db2.gz HPYQRBFYNRYYHO-GHYVTOPFSA-N 2 2 236.359 1.402 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000453348522 388053492 /nfs/dbraw/zinc/05/34/92/388053492.db2.gz HPYQRBFYNRYYHO-GHYVTOPFSA-N 2 2 236.359 1.402 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453348528 388054112 /nfs/dbraw/zinc/05/41/12/388054112.db2.gz HPYQRBFYNRYYHO-ZRJCITRHSA-N 2 2 236.359 1.402 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000453348528 388054115 /nfs/dbraw/zinc/05/41/15/388054115.db2.gz HPYQRBFYNRYYHO-ZRJCITRHSA-N 2 2 236.359 1.402 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453350243 388055627 /nfs/dbraw/zinc/05/56/27/388055627.db2.gz JWULFHTWZHYUIO-YRGRVCCFSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000453350243 388055629 /nfs/dbraw/zinc/05/56/29/388055629.db2.gz JWULFHTWZHYUIO-YRGRVCCFSA-N 2 2 238.375 1.386 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248714405 388690530 /nfs/dbraw/zinc/69/05/30/388690530.db2.gz BSHNZATWNJYOGR-CHWSQXEVSA-N 2 2 223.364 1.999 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248714405 388690531 /nfs/dbraw/zinc/69/05/31/388690531.db2.gz BSHNZATWNJYOGR-CHWSQXEVSA-N 2 2 223.364 1.999 20 30 BDEDLP Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000333345807 132309831 /nfs/dbraw/zinc/30/98/31/132309831.db2.gz ZFQQUDCHHXVMGW-DGCLKSJQSA-N 2 2 242.326 1.450 20 30 BDEDLP CC#CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121867466 134235991 /nfs/dbraw/zinc/23/59/91/134235991.db2.gz MGVIXNZBYYCXSG-CYBMUJFWSA-N 2 2 206.333 1.427 20 30 BDEDLP CC#CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121867466 134235992 /nfs/dbraw/zinc/23/59/92/134235992.db2.gz MGVIXNZBYYCXSG-CYBMUJFWSA-N 2 2 206.333 1.427 20 30 BDEDLP COCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185808105 134391127 /nfs/dbraw/zinc/39/11/27/134391127.db2.gz VSVGHUOXYXEPHE-QWHCGFSZSA-N 2 2 239.363 1.237 20 30 BDEDLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185808105 134391128 /nfs/dbraw/zinc/39/11/28/134391128.db2.gz VSVGHUOXYXEPHE-QWHCGFSZSA-N 2 2 239.363 1.237 20 30 BDEDLP CCCNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000104159455 134484899 /nfs/dbraw/zinc/48/48/99/134484899.db2.gz QLQXDQXUPVGEEL-UHFFFAOYSA-N 2 2 245.330 1.191 20 30 BDEDLP CCCCCCNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264107306 135133198 /nfs/dbraw/zinc/13/31/98/135133198.db2.gz OAGLELYQWWOAGK-UHFFFAOYSA-N 2 2 237.351 1.368 20 30 BDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC)c1ccco1 ZINC000264108368 135133340 /nfs/dbraw/zinc/13/33/40/135133340.db2.gz PZGLDZIWSGHCFX-JTQLQIEISA-N 2 2 238.335 1.197 20 30 BDEDLP CC[C@H](C)NC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269965621 135168386 /nfs/dbraw/zinc/16/83/86/135168386.db2.gz NGBPLHVEFYAULN-NSHDSACASA-N 2 2 234.347 1.635 20 30 BDEDLP CCC[N@@H+](CC#N)CCCn1cc[nH+]c1C ZINC000270647614 135173621 /nfs/dbraw/zinc/17/36/21/135173621.db2.gz OEJCHKHKFGKOLF-UHFFFAOYSA-N 2 2 220.320 1.817 20 30 BDEDLP CCC[N@H+](CC#N)CCCn1cc[nH+]c1C ZINC000270647614 135173622 /nfs/dbraw/zinc/17/36/22/135173622.db2.gz OEJCHKHKFGKOLF-UHFFFAOYSA-N 2 2 220.320 1.817 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[NH3+])CC2 ZINC000335568241 136108115 /nfs/dbraw/zinc/10/81/15/136108115.db2.gz PQZNJRDJJPXWTK-GFCCVEGCSA-N 2 2 201.273 1.094 20 30 BDEDLP C=CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)COC ZINC000661240828 410402464 /nfs/dbraw/zinc/40/24/64/410402464.db2.gz RWHAIONYZWTTHW-LBPRGKRZSA-N 2 2 223.320 1.406 20 30 BDEDLP C=CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)COC ZINC000661240828 410402470 /nfs/dbraw/zinc/40/24/70/410402470.db2.gz RWHAIONYZWTTHW-LBPRGKRZSA-N 2 2 223.320 1.406 20 30 BDEDLP C#CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019875374 166187726 /nfs/dbraw/zinc/18/77/26/166187726.db2.gz IPRURHXNXMQZEI-UHFFFAOYSA-N 2 2 228.339 1.874 20 30 BDEDLP C=CCOCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000657429943 411508479 /nfs/dbraw/zinc/50/84/79/411508479.db2.gz NJLSHGHMKIUKPD-UHFFFAOYSA-N 2 2 209.293 1.021 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660431209 411583615 /nfs/dbraw/zinc/58/36/15/411583615.db2.gz YCIYQVFIBZBLAH-ZIAGYGMSSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000660431209 411583616 /nfs/dbraw/zinc/58/36/16/411583616.db2.gz YCIYQVFIBZBLAH-ZIAGYGMSSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660431209 411583618 /nfs/dbraw/zinc/58/36/18/411583618.db2.gz YCIYQVFIBZBLAH-ZIAGYGMSSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660431209 411583620 /nfs/dbraw/zinc/58/36/20/411583620.db2.gz YCIYQVFIBZBLAH-ZIAGYGMSSA-N 2 2 240.391 1.728 20 30 BDEDLP C=CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473151 411590443 /nfs/dbraw/zinc/59/04/43/411590443.db2.gz PPDRRUCCSSBWAW-AWEZNQCLSA-N 2 2 238.375 1.749 20 30 BDEDLP C=CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473151 411590444 /nfs/dbraw/zinc/59/04/44/411590444.db2.gz PPDRRUCCSSBWAW-AWEZNQCLSA-N 2 2 238.375 1.749 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000042544306 173153280 /nfs/dbraw/zinc/15/32/80/173153280.db2.gz HKJCYYFTIFNBQC-ZDUSSCGKSA-N 2 2 215.300 1.352 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000042544306 173153283 /nfs/dbraw/zinc/15/32/83/173153283.db2.gz HKJCYYFTIFNBQC-ZDUSSCGKSA-N 2 2 215.300 1.352 20 30 BDEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639872 177234341 /nfs/dbraw/zinc/23/43/41/177234341.db2.gz YLGSSUPXCLGATL-SMDDNHRTSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639872 177234343 /nfs/dbraw/zinc/23/43/43/177234343.db2.gz YLGSSUPXCLGATL-SMDDNHRTSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000290639872 177234344 /nfs/dbraw/zinc/23/43/44/177234344.db2.gz YLGSSUPXCLGATL-SMDDNHRTSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290639872 177234346 /nfs/dbraw/zinc/23/43/46/177234346.db2.gz YLGSSUPXCLGATL-SMDDNHRTSA-N 2 2 247.342 1.923 20 30 BDEDLP CC[N@H+](CCNc1cc(C)[nH+]cc1C#N)C1CC1 ZINC000399346804 266126256 /nfs/dbraw/zinc/12/62/56/266126256.db2.gz BUWUAROIKGACMP-UHFFFAOYSA-N 2 2 244.342 1.580 20 30 BDEDLP CC[N@@H+](CCNc1cc(C)[nH+]cc1C#N)C1CC1 ZINC000399346804 266126262 /nfs/dbraw/zinc/12/62/62/266126262.db2.gz BUWUAROIKGACMP-UHFFFAOYSA-N 2 2 244.342 1.580 20 30 BDEDLP C[NH+](C)CC[C@@H]([NH2+]CCC#N)C(C)(C)C ZINC000570391390 323058162 /nfs/dbraw/zinc/05/81/62/323058162.db2.gz ZXTLUADUKWHMDB-LLVKDONJSA-N 2 2 211.353 1.856 20 30 BDEDLP CC(C)(C#N)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563629578 323132622 /nfs/dbraw/zinc/13/26/22/323132622.db2.gz OEBAFYJWXVUWKY-UHFFFAOYSA-N 2 2 247.346 1.472 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+]CCCCn1cc[nH+]c1 ZINC000571277695 323139858 /nfs/dbraw/zinc/13/98/58/323139858.db2.gz QPGNSUIKEBVTJP-CYBMUJFWSA-N 2 2 245.330 1.696 20 30 BDEDLP C=C(C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312150 323170460 /nfs/dbraw/zinc/17/04/60/323170460.db2.gz BNDBJHQNURCQEN-NSHDSACASA-N 2 2 205.305 1.786 20 30 BDEDLP C=C(C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312150 323170461 /nfs/dbraw/zinc/17/04/61/323170461.db2.gz BNDBJHQNURCQEN-NSHDSACASA-N 2 2 205.305 1.786 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000529541010 324332027 /nfs/dbraw/zinc/33/20/27/324332027.db2.gz ZGUCGOUUVZQNGJ-UHFFFAOYSA-N 2 2 249.333 1.961 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](CC)CC1 ZINC000328262211 324340102 /nfs/dbraw/zinc/34/01/02/324340102.db2.gz LPYRNIZKAYRVJW-UHFFFAOYSA-N 3 2 237.391 1.015 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](CC)CC1 ZINC000328262211 324340107 /nfs/dbraw/zinc/34/01/07/324340107.db2.gz LPYRNIZKAYRVJW-UHFFFAOYSA-N 3 2 237.391 1.015 20 30 BDEDLP C=C(C)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565162935 325864824 /nfs/dbraw/zinc/86/48/24/325864824.db2.gz JGKBXSPZZWZIMF-UHFFFAOYSA-N 2 2 220.320 1.498 20 30 BDEDLP C[C@H](CC[NH2+]CCC#N)[NH+]1CCCCC1 ZINC000566132488 326001177 /nfs/dbraw/zinc/00/11/77/326001177.db2.gz SBDMUJFTPGUMBF-GFCCVEGCSA-N 2 2 209.337 1.754 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569230394 326396354 /nfs/dbraw/zinc/39/63/54/326396354.db2.gz WITGBTMGKGDSCY-QWHCGFSZSA-N 2 2 246.358 1.504 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000569230394 326396355 /nfs/dbraw/zinc/39/63/55/326396355.db2.gz WITGBTMGKGDSCY-QWHCGFSZSA-N 2 2 246.358 1.504 20 30 BDEDLP C=CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nn1 ZINC000655938024 491098988 /nfs/dbraw/zinc/09/89/88/491098988.db2.gz JGDDDGCNLCVIRQ-VXGBXAGGSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nn1 ZINC000655938024 491098989 /nfs/dbraw/zinc/09/89/89/491098989.db2.gz JGDDDGCNLCVIRQ-VXGBXAGGSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336752439 534778384 /nfs/dbraw/zinc/77/83/84/534778384.db2.gz GVYXOHZVIWJCSR-VXGBXAGGSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336752439 534778388 /nfs/dbraw/zinc/77/83/88/534778388.db2.gz GVYXOHZVIWJCSR-VXGBXAGGSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494579884 526451588 /nfs/dbraw/zinc/45/15/88/526451588.db2.gz QKMHZNKSDJYVIG-UHFFFAOYSA-N 2 2 249.333 1.961 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000854231427 583083366 /nfs/dbraw/zinc/08/33/66/583083366.db2.gz HWPFVHXHKGJZAO-RYUDHWBXSA-N 2 2 247.342 1.847 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc(CC)[nH+]cn2)CC1 ZINC000895806802 583732177 /nfs/dbraw/zinc/73/21/77/583732177.db2.gz FBPBTUKRVZFCLZ-UHFFFAOYSA-N 2 2 244.342 1.549 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300849791 583909246 /nfs/dbraw/zinc/90/92/46/583909246.db2.gz NOGUEGVHSOHKDZ-SECBINFHSA-N 2 2 202.729 1.717 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H]2CCC[C@H]21 ZINC000903101850 584727614 /nfs/dbraw/zinc/72/76/14/584727614.db2.gz NUWYHQPPYXIQKM-RWMBFGLXSA-N 2 2 235.375 1.999 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H]2CCC[C@H]21 ZINC000903101850 584727616 /nfs/dbraw/zinc/72/76/16/584727616.db2.gz NUWYHQPPYXIQKM-RWMBFGLXSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000903300066 584744000 /nfs/dbraw/zinc/74/40/00/584744000.db2.gz FPVZFUBOXXTXRU-FDYHWXHSSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@H+]1C ZINC000903300066 584744002 /nfs/dbraw/zinc/74/40/02/584744002.db2.gz FPVZFUBOXXTXRU-FDYHWXHSSA-N 2 2 221.348 1.751 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000766903103 585510672 /nfs/dbraw/zinc/51/06/72/585510672.db2.gz PTTSBEZZRKNJMB-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP C#CCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000766903103 585510673 /nfs/dbraw/zinc/51/06/73/585510673.db2.gz PTTSBEZZRKNJMB-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP CC(=[NH+]Nc1cc[nH+]cc1)c1ccc(N)cc1 ZINC000779808923 585765997 /nfs/dbraw/zinc/76/59/97/585765997.db2.gz IRAWYLXMJQHVJO-UHFFFAOYSA-N 2 2 226.283 1.922 20 30 BDEDLP CC(=[NH+]Nc1cc[nH+]cc1)c1ccc(N)nc1 ZINC000814899838 586646397 /nfs/dbraw/zinc/64/63/97/586646397.db2.gz QGPSHTJDLLWFGM-UHFFFAOYSA-N 2 2 227.271 1.317 20 30 BDEDLP C=C(Cl)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000817903849 586836884 /nfs/dbraw/zinc/83/68/84/586836884.db2.gz MDXSEDOEDXBOMU-ZJUUUORDSA-N 2 2 202.729 1.989 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000817932775 586843240 /nfs/dbraw/zinc/84/32/40/586843240.db2.gz WNFOINJHDHOYLS-KGLIPLIRSA-N 2 2 244.342 1.703 20 30 BDEDLP C#C[C@@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1CCCO1 ZINC000828307182 587433442 /nfs/dbraw/zinc/43/34/42/587433442.db2.gz LRPDMJPCJIQISM-HUUCEWRRSA-N 2 2 244.338 1.703 20 30 BDEDLP C#C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848910592 588419035 /nfs/dbraw/zinc/41/90/35/588419035.db2.gz NLIANCTYNAGYQE-JSGCOSHPSA-N 2 2 236.359 1.241 20 30 BDEDLP C#CC(C)(C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851986271 588651970 /nfs/dbraw/zinc/65/19/70/588651970.db2.gz GXCJKKHGHWFKCQ-GFCCVEGCSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC(C)(C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000851986271 588651971 /nfs/dbraw/zinc/65/19/71/588651971.db2.gz GXCJKKHGHWFKCQ-GFCCVEGCSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC(C)(C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000851986271 588651972 /nfs/dbraw/zinc/65/19/72/588651972.db2.gz GXCJKKHGHWFKCQ-GFCCVEGCSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC(C)(C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000851986271 588651973 /nfs/dbraw/zinc/65/19/73/588651973.db2.gz GXCJKKHGHWFKCQ-GFCCVEGCSA-N 2 2 226.364 1.031 20 30 BDEDLP CCn1c[nH+]cc1C=NNc1cc[nH+]c(C)c1 ZINC000863160883 589264926 /nfs/dbraw/zinc/26/49/26/589264926.db2.gz UGSOAUFSHRIOLU-UHFFFAOYSA-N 2 2 229.287 1.474 20 30 BDEDLP COCCCO[NH+]=Cc1c(C)cc[nH+]c1N ZINC000872375886 589925770 /nfs/dbraw/zinc/92/57/70/589925770.db2.gz XDSDJJDWOWIWNQ-UHFFFAOYSA-N 2 2 223.276 1.359 20 30 BDEDLP C=CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878135862 590504627 /nfs/dbraw/zinc/50/46/27/590504627.db2.gz QZJPOPNRNPWIRV-KGLIPLIRSA-N 2 2 238.375 1.605 20 30 BDEDLP C=CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878135862 590504629 /nfs/dbraw/zinc/50/46/29/590504629.db2.gz QZJPOPNRNPWIRV-KGLIPLIRSA-N 2 2 238.375 1.605 20 30 BDEDLP CC(C)C[N@H+](CC#N)CC1CC[NH+](C)CC1 ZINC000879702758 590852439 /nfs/dbraw/zinc/85/24/39/590852439.db2.gz XQEPNUULZNKIHA-UHFFFAOYSA-N 2 2 223.364 1.810 20 30 BDEDLP CC(C)C[N@@H+](CC#N)CC1CC[NH+](C)CC1 ZINC000879702758 590852442 /nfs/dbraw/zinc/85/24/42/590852442.db2.gz XQEPNUULZNKIHA-UHFFFAOYSA-N 2 2 223.364 1.810 20 30 BDEDLP C=CCOCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140618 590940483 /nfs/dbraw/zinc/94/04/83/590940483.db2.gz CDQVWGFVQUXCKC-STQMWFEESA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140618 590940486 /nfs/dbraw/zinc/94/04/86/590940486.db2.gz CDQVWGFVQUXCKC-STQMWFEESA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140618 590940489 /nfs/dbraw/zinc/94/04/89/590940489.db2.gz CDQVWGFVQUXCKC-STQMWFEESA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140618 590940490 /nfs/dbraw/zinc/94/04/90/590940490.db2.gz CDQVWGFVQUXCKC-STQMWFEESA-N 2 2 224.348 1.358 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000883390270 591641049 /nfs/dbraw/zinc/64/10/49/591641049.db2.gz IRKPUBUKIIWYAA-SCRDCRAPSA-N 2 2 238.375 1.386 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000883390270 591641050 /nfs/dbraw/zinc/64/10/50/591641050.db2.gz IRKPUBUKIIWYAA-SCRDCRAPSA-N 2 2 238.375 1.386 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(CC)n2)C1 ZINC000884610378 591993820 /nfs/dbraw/zinc/99/38/20/591993820.db2.gz KUIYOILYPPXSTO-GFCCVEGCSA-N 2 2 244.342 1.549 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(CC)n2)C1 ZINC000884610378 591993822 /nfs/dbraw/zinc/99/38/22/591993822.db2.gz KUIYOILYPPXSTO-GFCCVEGCSA-N 2 2 244.342 1.549 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1csc(C#N)c1 ZINC000922147423 643872989 /nfs/dbraw/zinc/87/29/89/643872989.db2.gz WHFGOYRYILUECF-UHFFFAOYSA-N 2 2 247.367 1.664 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1csc(C#N)c1 ZINC000922147423 643872992 /nfs/dbraw/zinc/87/29/92/643872992.db2.gz WHFGOYRYILUECF-UHFFFAOYSA-N 2 2 247.367 1.664 20 30 BDEDLP C#Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000809425932 644888978 /nfs/dbraw/zinc/88/89/78/644888978.db2.gz ZWGUOCDCUXQKFP-OAHLLOKOSA-N 2 2 246.354 1.070 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779739 646309607 /nfs/dbraw/zinc/30/96/07/646309607.db2.gz IISMKSXGLPIBMF-FRRDWIJNSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779739 646309610 /nfs/dbraw/zinc/30/96/10/646309610.db2.gz IISMKSXGLPIBMF-FRRDWIJNSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779739 646309613 /nfs/dbraw/zinc/30/96/13/646309613.db2.gz IISMKSXGLPIBMF-FRRDWIJNSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779739 646309615 /nfs/dbraw/zinc/30/96/15/646309615.db2.gz IISMKSXGLPIBMF-FRRDWIJNSA-N 2 2 239.363 1.066 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccns1 ZINC000926489281 646659198 /nfs/dbraw/zinc/65/91/98/646659198.db2.gz FXLQKXBFQTULGY-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccns1 ZINC000926489281 646659201 /nfs/dbraw/zinc/65/92/01/646659201.db2.gz FXLQKXBFQTULGY-NSHDSACASA-N 2 2 237.372 1.749 20 30 BDEDLP C#C[C@@](C)(CC)[NH2+]CCCn1cc[nH+]c1 ZINC000384180803 710806801 /nfs/dbraw/zinc/80/68/01/710806801.db2.gz PYUXEOFJYHQEKG-LBPRGKRZSA-N 2 2 205.305 1.665 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396614526 711357032 /nfs/dbraw/zinc/35/70/32/711357032.db2.gz FTSIZKCQPAZSNG-RYUDHWBXSA-N 2 2 212.337 1.309 20 30 BDEDLP C=CCSCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396656320 711363244 /nfs/dbraw/zinc/36/32/44/711363244.db2.gz MQCGRPQHZVMYOX-MNOVXSKESA-N 2 2 214.378 1.636 20 30 BDEDLP C=CC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000706631548 712151193 /nfs/dbraw/zinc/15/11/93/712151193.db2.gz ILMIKQWNADVFQR-JTQLQIEISA-N 2 2 218.291 1.867 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C[NH+](C)C ZINC000709979564 712236586 /nfs/dbraw/zinc/23/65/86/712236586.db2.gz HFNVGWPJHAITRX-MNOVXSKESA-N 2 2 211.353 1.854 20 30 BDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001252580809 968831983 /nfs/dbraw/zinc/83/19/83/968831983.db2.gz ULDZKIIRVMVASP-KBPBESRZSA-N 2 2 238.375 1.387 20 30 BDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001252580809 968831986 /nfs/dbraw/zinc/83/19/86/968831986.db2.gz ULDZKIIRVMVASP-KBPBESRZSA-N 2 2 238.375 1.387 20 30 BDEDLP C[N@@H+]1CCC[C@H](C[NH+]2CC(CC#N)C2)C1 ZINC001208604518 969156269 /nfs/dbraw/zinc/15/62/69/969156269.db2.gz PVSCNDFGHCLJPY-NSHDSACASA-N 2 2 207.321 1.174 20 30 BDEDLP C[N@H+]1CCC[C@H](C[NH+]2CC(CC#N)C2)C1 ZINC001208604518 969156274 /nfs/dbraw/zinc/15/62/74/969156274.db2.gz PVSCNDFGHCLJPY-NSHDSACASA-N 2 2 207.321 1.174 20 30 BDEDLP Cn1cc[nH+]c1CC[NH2+]C1CCC(C#N)CC1 ZINC001256964810 971038156 /nfs/dbraw/zinc/03/81/56/971038156.db2.gz DBJRVGYKQBAMFL-UHFFFAOYSA-N 2 2 232.331 1.635 20 30 BDEDLP C#Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206065423 971152404 /nfs/dbraw/zinc/15/24/04/971152404.db2.gz VDLQIGOVEKQPKD-BXUZGUMPSA-N 2 2 214.312 1.447 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206065423 971152413 /nfs/dbraw/zinc/15/24/13/971152413.db2.gz VDLQIGOVEKQPKD-BXUZGUMPSA-N 2 2 214.312 1.447 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154990415 962933234 /nfs/dbraw/zinc/93/32/34/962933234.db2.gz XJHOWFKRZAJDJF-VXGBXAGGSA-N 2 2 230.315 1.829 20 30 BDEDLP CC1(Nc2cc(CC#N)cc[nH+]2)CC[NH2+]CC1 ZINC001157403475 963598289 /nfs/dbraw/zinc/59/82/89/963598289.db2.gz QPLYGTKXHXDCKB-UHFFFAOYSA-N 2 2 230.315 1.702 20 30 BDEDLP N#Cc1cccc(CCC[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001236013775 966222659 /nfs/dbraw/zinc/22/26/59/966222659.db2.gz BTYAHRLSTJFSJS-GJZGRUSLSA-N 2 2 241.338 1.524 20 30 BDEDLP N#Cc1cccc(CCC[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001236013775 966222684 /nfs/dbraw/zinc/22/26/84/966222684.db2.gz BTYAHRLSTJFSJS-GJZGRUSLSA-N 2 2 241.338 1.524 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205189660 966793181 /nfs/dbraw/zinc/79/31/81/966793181.db2.gz GORDOTVIFLZJGF-BXUZGUMPSA-N 2 2 214.312 1.589 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205189660 966793187 /nfs/dbraw/zinc/79/31/87/966793187.db2.gz GORDOTVIFLZJGF-BXUZGUMPSA-N 2 2 214.312 1.589 20 30 BDEDLP CC[C@@H](C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715499148 966919597 /nfs/dbraw/zinc/91/95/97/966919597.db2.gz DNACMEFPFZHZEQ-UNXYVOJBSA-N 2 2 209.337 1.751 20 30 BDEDLP N#Cc1ccc(O)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205046349 967305173 /nfs/dbraw/zinc/30/51/73/967305173.db2.gz FJSJROMZZWRUKP-UHFFFAOYSA-N 2 2 245.326 1.435 20 30 BDEDLP C#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205190955 967417862 /nfs/dbraw/zinc/41/78/62/967417862.db2.gz SNBRLUXJDXIEIZ-BXUZGUMPSA-N 2 2 214.312 1.589 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205190955 967417873 /nfs/dbraw/zinc/41/78/73/967417873.db2.gz SNBRLUXJDXIEIZ-BXUZGUMPSA-N 2 2 214.312 1.589 20 30 BDEDLP C[C@@]1([NH3+])CCC[N@H+](Cc2[nH]ccc2C#N)CC1 ZINC001205287765 967480712 /nfs/dbraw/zinc/48/07/12/967480712.db2.gz BTMRUJPFEVSLHS-CYBMUJFWSA-N 2 2 232.331 1.590 20 30 BDEDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2[nH]ccc2C#N)CC1 ZINC001205287765 967480726 /nfs/dbraw/zinc/48/07/26/967480726.db2.gz BTMRUJPFEVSLHS-CYBMUJFWSA-N 2 2 232.331 1.590 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cn1 ZINC001206176355 968111525 /nfs/dbraw/zinc/11/15/25/968111525.db2.gz ZISAYCPRLKNXIS-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cn1 ZINC001206176355 968111531 /nfs/dbraw/zinc/11/15/31/968111531.db2.gz ZISAYCPRLKNXIS-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP C=C[C@@](C)(O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252546770 968783723 /nfs/dbraw/zinc/78/37/23/968783723.db2.gz ATKLZUJFUKNWTK-CYBMUJFWSA-N 2 2 235.331 1.056 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]CCc1[nH]cc(C)[nH+]1 ZINC001252614296 968871507 /nfs/dbraw/zinc/87/15/07/968871507.db2.gz HGVIROXJXIQITI-NSHDSACASA-N 2 2 223.320 1.177 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C#N)CC1)C2 ZINC001169100962 969396608 /nfs/dbraw/zinc/39/66/08/969396608.db2.gz NBKIZDZIILIDAO-ZSBIGDGJSA-N 2 2 219.332 1.505 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C#N)CC1)C2 ZINC001169100962 969396620 /nfs/dbraw/zinc/39/66/20/969396620.db2.gz NBKIZDZIILIDAO-ZSBIGDGJSA-N 2 2 219.332 1.505 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153908 969470229 /nfs/dbraw/zinc/47/02/29/969470229.db2.gz MFHHYKPZWTVXQM-DGAVXFQQSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153908 969470238 /nfs/dbraw/zinc/47/02/38/969470238.db2.gz MFHHYKPZWTVXQM-DGAVXFQQSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153908 969470248 /nfs/dbraw/zinc/47/02/48/969470248.db2.gz MFHHYKPZWTVXQM-DGAVXFQQSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001169153908 969470256 /nfs/dbraw/zinc/47/02/56/969470256.db2.gz MFHHYKPZWTVXQM-DGAVXFQQSA-N 2 2 233.359 1.847 20 30 BDEDLP CC1(C#N)CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209732190 969593089 /nfs/dbraw/zinc/59/30/89/969593089.db2.gz ZJKPRLUJUOLIFC-UHFFFAOYSA-N 2 2 230.315 1.620 20 30 BDEDLP C#CC(CC)(CC)[NH2+]C1CC[NH+](C)CC1 ZINC001256194213 970684596 /nfs/dbraw/zinc/68/45/96/970684596.db2.gz XNSRGLWWJIBQMH-UHFFFAOYSA-N 2 2 208.349 1.862 20 30 BDEDLP C#CCOCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001328382070 973007384 /nfs/dbraw/zinc/00/73/84/973007384.db2.gz YAQHUSCWPMQERM-UHFFFAOYSA-N 2 2 238.375 1.442 20 30 BDEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C#N)CC1)C2 ZINC001172104773 974364400 /nfs/dbraw/zinc/36/44/00/974364400.db2.gz CUJAEYTYQKLMRZ-XYYAHUGASA-N 2 2 233.359 1.895 20 30 BDEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C#N)CC1)C2 ZINC001172104773 974364405 /nfs/dbraw/zinc/36/44/05/974364405.db2.gz CUJAEYTYQKLMRZ-XYYAHUGASA-N 2 2 233.359 1.895 20 30 BDEDLP N#Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206187005 975013754 /nfs/dbraw/zinc/01/37/54/975013754.db2.gz SOUJTWPTWLOBKS-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206187005 975013762 /nfs/dbraw/zinc/01/37/62/975013762.db2.gz SOUJTWPTWLOBKS-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP C#Cc1cc(Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC001174652169 976932684 /nfs/dbraw/zinc/93/26/84/976932684.db2.gz RIJBCCSLLPZABV-UHFFFAOYSA-N 2 2 209.252 1.932 20 30 BDEDLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCCC#N)C2 ZINC001277948475 979053404 /nfs/dbraw/zinc/05/34/04/979053404.db2.gz JTTMCBPZAICWHJ-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCCC#N)C2 ZINC001277948475 979053411 /nfs/dbraw/zinc/05/34/11/979053411.db2.gz JTTMCBPZAICWHJ-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCCC#N)C2 ZINC001277948475 979053419 /nfs/dbraw/zinc/05/34/19/979053419.db2.gz JTTMCBPZAICWHJ-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCC#N)C2 ZINC001277948475 979053423 /nfs/dbraw/zinc/05/34/23/979053423.db2.gz JTTMCBPZAICWHJ-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC001236865863 979774043 /nfs/dbraw/zinc/77/40/43/979774043.db2.gz RGDYYURLZYSYFF-ZDUSSCGKSA-N 2 2 247.342 1.758 20 30 BDEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001236865863 979774062 /nfs/dbraw/zinc/77/40/62/979774062.db2.gz RGDYYURLZYSYFF-ZDUSSCGKSA-N 2 2 247.342 1.758 20 30 BDEDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC001577887043 984811580 /nfs/dbraw/zinc/81/15/80/984811580.db2.gz CHMHUYSFSIZGRY-WDEREUQCSA-N 2 2 211.353 1.902 20 30 BDEDLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001578241825 984895950 /nfs/dbraw/zinc/89/59/50/984895950.db2.gz NHEJFKDBTSYTSD-KXNHARMFSA-N 2 2 207.321 1.409 20 30 BDEDLP C=C(C[NH+](C)C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001568610527 992196964 /nfs/dbraw/zinc/19/69/64/992196964.db2.gz QSSFQSXMNHUSNT-UHFFFAOYSA-N 2 2 244.298 1.391 20 30 BDEDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335181340 343980666 /nfs/dbraw/zinc/98/06/66/343980666.db2.gz OSADGZSUITZJEH-SMDDNHRTSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335537861 398205704 /nfs/dbraw/zinc/20/57/04/398205704.db2.gz FVHAGKJZEQYYJM-FZMZJTMJSA-N 2 2 229.327 1.788 20 30 BDEDLP C[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)CC1(C)C ZINC000600153019 342692070 /nfs/dbraw/zinc/69/20/70/342692070.db2.gz HXRXODQDYSMWKQ-LLVKDONJSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)CC1(C)C ZINC000600153019 342692071 /nfs/dbraw/zinc/69/20/71/342692071.db2.gz HXRXODQDYSMWKQ-LLVKDONJSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1C ZINC000602698838 349695135 /nfs/dbraw/zinc/69/51/35/349695135.db2.gz ZPVBQNLSHNAQER-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1C ZINC000602698838 349695138 /nfs/dbraw/zinc/69/51/38/349695138.db2.gz ZPVBQNLSHNAQER-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000379458823 343522856 /nfs/dbraw/zinc/52/28/56/343522856.db2.gz QCBQFYIHFXHCNH-VXGBXAGGSA-N 2 2 219.332 1.507 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000379458823 343522859 /nfs/dbraw/zinc/52/28/59/343522859.db2.gz QCBQFYIHFXHCNH-VXGBXAGGSA-N 2 2 219.332 1.507 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980536 349846584 /nfs/dbraw/zinc/84/65/84/349846584.db2.gz QYXQMLGCGYDUBT-STQMWFEESA-N 2 2 232.331 1.816 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980536 349846587 /nfs/dbraw/zinc/84/65/87/349846587.db2.gz QYXQMLGCGYDUBT-STQMWFEESA-N 2 2 232.331 1.816 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1C)C(C)(C)C ZINC000290288510 344244931 /nfs/dbraw/zinc/24/49/31/344244931.db2.gz ZYUHNOTZLSUMQE-NSHDSACASA-N 2 2 205.305 1.558 20 30 BDEDLP C=CC[NH+]1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641360075 362376159 /nfs/dbraw/zinc/37/61/59/362376159.db2.gz SVVMNDIGNJRSEW-UHFFFAOYSA-N 2 2 247.342 1.636 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600750629 344368273 /nfs/dbraw/zinc/36/82/73/344368273.db2.gz MQODLVCUGMHBLS-NSHDSACASA-N 2 2 229.327 1.458 20 30 BDEDLP C[C@H]([NH3+])C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600750629 344368275 /nfs/dbraw/zinc/36/82/75/344368275.db2.gz MQODLVCUGMHBLS-NSHDSACASA-N 2 2 229.327 1.458 20 30 BDEDLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C[NH2+]1 ZINC000600712126 344361724 /nfs/dbraw/zinc/36/17/24/344361724.db2.gz WKTZGAIWMCFUGC-VOAKCMCISA-N 2 2 221.348 1.799 20 30 BDEDLP C=CC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087525 344731805 /nfs/dbraw/zinc/73/18/05/344731805.db2.gz QSQLWZICZCJEII-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959846 345455319 /nfs/dbraw/zinc/45/53/19/345455319.db2.gz ASNWPDVLNUXCQB-NSHDSACASA-N 2 2 203.289 1.612 20 30 BDEDLP CC#CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959846 345455321 /nfs/dbraw/zinc/45/53/21/345455321.db2.gz ASNWPDVLNUXCQB-NSHDSACASA-N 2 2 203.289 1.612 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000294947952 346323956 /nfs/dbraw/zinc/32/39/56/346323956.db2.gz IKBXSUGTHWCLJD-LBPRGKRZSA-N 2 2 249.333 1.826 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000294947952 346323960 /nfs/dbraw/zinc/32/39/60/346323960.db2.gz IKBXSUGTHWCLJD-LBPRGKRZSA-N 2 2 249.333 1.826 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000591570830 347676025 /nfs/dbraw/zinc/67/60/25/347676025.db2.gz UJBZZYRHOGKQST-CHWSQXEVSA-N 2 2 233.290 1.667 20 30 BDEDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000591581374 347678850 /nfs/dbraw/zinc/67/88/50/347678850.db2.gz SJWLOAWCQSWJAD-IUCAKERBSA-N 2 2 221.279 1.695 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000592437211 347779288 /nfs/dbraw/zinc/77/92/88/347779288.db2.gz CUWFVYYBVWJOOZ-YFKTTZPYSA-N 2 2 207.321 1.266 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841573 348376260 /nfs/dbraw/zinc/37/62/60/348376260.db2.gz MGSJSWYHJWCREO-CYBMUJFWSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841573 348376262 /nfs/dbraw/zinc/37/62/62/348376262.db2.gz MGSJSWYHJWCREO-CYBMUJFWSA-N 2 2 232.331 1.588 20 30 BDEDLP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000595894598 348390959 /nfs/dbraw/zinc/39/09/59/348390959.db2.gz XKCHCOPJSURSHS-BXUZGUMPSA-N 2 2 229.327 1.380 20 30 BDEDLP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000595894598 348390960 /nfs/dbraw/zinc/39/09/60/348390960.db2.gz XKCHCOPJSURSHS-BXUZGUMPSA-N 2 2 229.327 1.380 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000596105697 348440248 /nfs/dbraw/zinc/44/02/48/348440248.db2.gz MEMYMVZAGBMOGM-SNVBAGLBSA-N 2 2 233.315 1.264 20 30 BDEDLP Cc1[nH+]ccn1CCCC[N@H+](CC#N)C1CC1 ZINC000336703688 350454837 /nfs/dbraw/zinc/45/48/37/350454837.db2.gz NALHNCRCHSFLAW-UHFFFAOYSA-N 2 2 232.331 1.960 20 30 BDEDLP Cc1[nH+]ccn1CCCC[N@@H+](CC#N)C1CC1 ZINC000336703688 350454839 /nfs/dbraw/zinc/45/48/39/350454839.db2.gz NALHNCRCHSFLAW-UHFFFAOYSA-N 2 2 232.331 1.960 20 30 BDEDLP Cc1[nH+]ccn1CC[NH+]1CCC(C)(C#N)CC1 ZINC000227352551 350492660 /nfs/dbraw/zinc/49/26/60/350492660.db2.gz DZFQLBDPBAFKJK-UHFFFAOYSA-N 2 2 232.331 1.817 20 30 BDEDLP C[C@H](C#N)C[NH+](C)C/C=C\C[N@@H+](C)C[C@H](C)C#N ZINC000340152669 351949404 /nfs/dbraw/zinc/94/94/04/351949404.db2.gz OCWHUVGUIZYQGE-HLMASZERSA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@H](C#N)C[NH+](C)C/C=C\C[N@H+](C)C[C@H](C)C#N ZINC000340152669 351949407 /nfs/dbraw/zinc/94/94/07/351949407.db2.gz OCWHUVGUIZYQGE-HLMASZERSA-N 2 2 248.374 1.726 20 30 BDEDLP C#CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278780298 187578867 /nfs/dbraw/zinc/57/88/67/187578867.db2.gz ZIVHJIUZQLVFCG-UHFFFAOYSA-N 2 2 230.311 1.866 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340230488 352091364 /nfs/dbraw/zinc/09/13/64/352091364.db2.gz HEIBHPZGPLWYNZ-CYBMUJFWSA-N 2 2 238.375 1.794 20 30 BDEDLP CC#CC[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334350166 352981693 /nfs/dbraw/zinc/98/16/93/352981693.db2.gz VIJNBLMQDVGNKH-UHFFFAOYSA-N 2 2 203.289 1.612 20 30 BDEDLP C=C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000271880657 188262931 /nfs/dbraw/zinc/26/29/31/188262931.db2.gz BYMXENQNUJQYAP-UHFFFAOYSA-N 2 2 205.305 1.925 20 30 BDEDLP C=C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000270901770 188263606 /nfs/dbraw/zinc/26/36/06/188263606.db2.gz RDXPXTIOSXCYAG-UHFFFAOYSA-N 2 2 205.305 1.844 20 30 BDEDLP Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000399005443 353551743 /nfs/dbraw/zinc/55/17/43/353551743.db2.gz XLWNVVDTXJYOIV-KCJUWKMLSA-N 2 2 216.288 1.045 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826388 181060142 /nfs/dbraw/zinc/06/01/42/181060142.db2.gz AENHRPHNKRQHEE-QWRGUYRKSA-N 2 2 204.277 1.165 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044684053 181138302 /nfs/dbraw/zinc/13/83/02/181138302.db2.gz MBIVYBOPVZRSCB-AWEZNQCLSA-N 2 2 241.338 1.885 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044684053 181138303 /nfs/dbraw/zinc/13/83/03/181138303.db2.gz MBIVYBOPVZRSCB-AWEZNQCLSA-N 2 2 241.338 1.885 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000346572800 354972962 /nfs/dbraw/zinc/97/29/62/354972962.db2.gz YIFNQQRAKYUCBM-TZMCWYRMSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000167403257 355991056 /nfs/dbraw/zinc/99/10/56/355991056.db2.gz WNPKRGOVUNDIGR-NEPJUHHUSA-N 2 2 226.364 1.650 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000192604308 356231354 /nfs/dbraw/zinc/23/13/54/356231354.db2.gz ZQYTXDJJDMWHKC-NWDGAFQWSA-N 2 2 218.304 1.555 20 30 BDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000333467402 134109883 /nfs/dbraw/zinc/10/98/83/134109883.db2.gz HRGNIEVQEQOGNJ-WUHRBBMRSA-N 2 2 237.347 1.035 20 30 BDEDLP N#CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134898143 358809824 /nfs/dbraw/zinc/80/98/24/358809824.db2.gz ARDCBUWDCMJPHT-JSGCOSHPSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134898143 358809831 /nfs/dbraw/zinc/80/98/31/358809831.db2.gz ARDCBUWDCMJPHT-JSGCOSHPSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134898143 358809835 /nfs/dbraw/zinc/80/98/35/358809835.db2.gz ARDCBUWDCMJPHT-JSGCOSHPSA-N 2 2 233.359 1.849 20 30 BDEDLP N#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134898143 358809839 /nfs/dbraw/zinc/80/98/39/358809839.db2.gz ARDCBUWDCMJPHT-JSGCOSHPSA-N 2 2 233.359 1.849 20 30 BDEDLP CC#CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835670 359225210 /nfs/dbraw/zinc/22/52/10/359225210.db2.gz NOVDDCXHVCRQGY-AWEZNQCLSA-N 2 2 220.360 1.818 20 30 BDEDLP CC#CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835670 359225213 /nfs/dbraw/zinc/22/52/13/359225213.db2.gz NOVDDCXHVCRQGY-AWEZNQCLSA-N 2 2 220.360 1.818 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000580445536 359562581 /nfs/dbraw/zinc/56/25/81/359562581.db2.gz FSHMWDDNVCVEAF-LBPRGKRZSA-N 2 2 248.330 1.140 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000580445536 359562587 /nfs/dbraw/zinc/56/25/87/359562587.db2.gz FSHMWDDNVCVEAF-LBPRGKRZSA-N 2 2 248.330 1.140 20 30 BDEDLP F[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](F)C2)C1 ZINC000451203468 202379823 /nfs/dbraw/zinc/37/98/23/202379823.db2.gz ZBNZIXYNFZIQPV-VXGBXAGGSA-N 2 2 228.286 1.077 20 30 BDEDLP F[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC000451203468 202379825 /nfs/dbraw/zinc/37/98/25/202379825.db2.gz ZBNZIXYNFZIQPV-VXGBXAGGSA-N 2 2 228.286 1.077 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000576028973 365455901 /nfs/dbraw/zinc/45/59/01/365455901.db2.gz HQXCWPNPTVQLLP-YXCITZCRSA-N 2 2 249.358 1.035 20 30 BDEDLP C=C(CC)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580960536 367218641 /nfs/dbraw/zinc/21/86/41/367218641.db2.gz QFPLIKYTOLVGEL-UHFFFAOYSA-N 2 2 220.320 1.498 20 30 BDEDLP CC(C)[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000381502594 367420378 /nfs/dbraw/zinc/42/03/78/367420378.db2.gz PGGIITOIKNWWSM-UHFFFAOYSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CCOCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000459569544 203304597 /nfs/dbraw/zinc/30/45/97/203304597.db2.gz YTJMGIHEAFVFGY-UHFFFAOYSA-N 2 2 214.353 1.509 20 30 BDEDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C#N)c1 ZINC000600713159 369561118 /nfs/dbraw/zinc/56/11/18/369561118.db2.gz GIZKBOZKJVOPQH-COPLHBTASA-N 2 2 229.327 1.959 20 30 BDEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000600712830 369561242 /nfs/dbraw/zinc/56/12/42/369561242.db2.gz AOISYSRDDLEEQL-VQISRLSMSA-N 2 2 241.338 1.886 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000600769701 369562654 /nfs/dbraw/zinc/56/26/54/369562654.db2.gz YIRCYHCDCAJDAO-UHFFFAOYSA-N 2 2 219.288 1.335 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000600769701 369562656 /nfs/dbraw/zinc/56/26/56/369562656.db2.gz YIRCYHCDCAJDAO-UHFFFAOYSA-N 2 2 219.288 1.335 20 30 BDEDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(C#N)o1 ZINC000600769024 369563782 /nfs/dbraw/zinc/56/37/82/369563782.db2.gz JHHUGXUOZOEOPF-ZDUSSCGKSA-N 2 2 235.331 1.956 20 30 BDEDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000600769024 369563785 /nfs/dbraw/zinc/56/37/85/369563785.db2.gz JHHUGXUOZOEOPF-ZDUSSCGKSA-N 2 2 235.331 1.956 20 30 BDEDLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600770133 369564984 /nfs/dbraw/zinc/56/49/84/369564984.db2.gz VJGHZVNOAHNENT-GFCCVEGCSA-N 2 2 219.288 1.322 20 30 BDEDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600770133 369564987 /nfs/dbraw/zinc/56/49/87/369564987.db2.gz VJGHZVNOAHNENT-GFCCVEGCSA-N 2 2 219.288 1.322 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000601329707 369621277 /nfs/dbraw/zinc/62/12/77/369621277.db2.gz MMNBNVOAQKSTGS-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000601329707 369621280 /nfs/dbraw/zinc/62/12/80/369621280.db2.gz MMNBNVOAQKSTGS-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251574512 369861172 /nfs/dbraw/zinc/86/11/72/369861172.db2.gz CDAPNGIMSAADCV-BXUZGUMPSA-N 2 2 229.327 1.727 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251574512 369861175 /nfs/dbraw/zinc/86/11/75/369861175.db2.gz CDAPNGIMSAADCV-BXUZGUMPSA-N 2 2 229.327 1.727 20 30 BDEDLP CC1(C)[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC000603430099 369964249 /nfs/dbraw/zinc/96/42/49/369964249.db2.gz SCQPUDBFIHTZGL-QWHCGFSZSA-N 2 2 229.327 1.774 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000603434871 369966044 /nfs/dbraw/zinc/96/60/44/369966044.db2.gz TYSGRNGTVDDNPM-NEPJUHHUSA-N 2 2 230.315 1.169 20 30 BDEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623838418 371120793 /nfs/dbraw/zinc/12/07/93/371120793.db2.gz UKPKCRFRSHBJSK-MJBXVCDLSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623838418 371120796 /nfs/dbraw/zinc/12/07/96/371120796.db2.gz UKPKCRFRSHBJSK-MJBXVCDLSA-N 2 2 238.375 1.387 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1C#N ZINC000131917491 371714792 /nfs/dbraw/zinc/71/47/92/371714792.db2.gz LEHBWPZUTHZZRV-FZMZJTMJSA-N 2 2 229.327 1.870 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1C#N ZINC000131917491 371714795 /nfs/dbraw/zinc/71/47/95/371714795.db2.gz LEHBWPZUTHZZRV-FZMZJTMJSA-N 2 2 229.327 1.870 20 30 BDEDLP N#Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000229748943 372189474 /nfs/dbraw/zinc/18/94/74/372189474.db2.gz AXOMTSNEXOTWDD-CHWSQXEVSA-N 2 2 245.301 1.349 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000040598654 373543869 /nfs/dbraw/zinc/54/38/69/373543869.db2.gz SDWGDOCFAJBXCP-CYBMUJFWSA-N 2 2 243.354 1.990 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000040598654 373543875 /nfs/dbraw/zinc/54/38/75/373543875.db2.gz SDWGDOCFAJBXCP-CYBMUJFWSA-N 2 2 243.354 1.990 20 30 BDEDLP CC(C)CCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000104152594 384805073 /nfs/dbraw/zinc/80/50/73/384805073.db2.gz UNCNATOPXPMTPW-UHFFFAOYSA-N 2 2 237.351 1.224 20 30 BDEDLP C#CC[N@@H+](C)[C@@H]1CCC[NH+](CC#C)CC1 ZINC000156964927 385033557 /nfs/dbraw/zinc/03/35/57/385033557.db2.gz HABVCXQNSXGHCF-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[N@H+](C)[C@@H]1CCC[NH+](CC#C)CC1 ZINC000156964927 385033563 /nfs/dbraw/zinc/03/35/63/385033563.db2.gz HABVCXQNSXGHCF-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](C)[C@@H]1CCC[N@H+](CC#C)CC1 ZINC000156964927 385033569 /nfs/dbraw/zinc/03/35/69/385033569.db2.gz HABVCXQNSXGHCF-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP C#CC[NH+](C)[C@@H]1CCC[N@@H+](CC#C)CC1 ZINC000156964927 385033573 /nfs/dbraw/zinc/03/35/73/385033573.db2.gz HABVCXQNSXGHCF-CYBMUJFWSA-N 2 2 204.317 1.039 20 30 BDEDLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309489054 385618746 /nfs/dbraw/zinc/61/87/46/385618746.db2.gz WLLOIJMDBAWMPS-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309489054 385618749 /nfs/dbraw/zinc/61/87/49/385618749.db2.gz WLLOIJMDBAWMPS-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000414130848 385978865 /nfs/dbraw/zinc/97/88/65/385978865.db2.gz WYPHQOYFDLLNBN-GFCCVEGCSA-N 2 2 248.374 1.721 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336770337 386014910 /nfs/dbraw/zinc/01/49/10/386014910.db2.gz VSCVGZWDXWXVCP-NEPJUHHUSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336770337 386014915 /nfs/dbraw/zinc/01/49/15/386014915.db2.gz VSCVGZWDXWXVCP-NEPJUHHUSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000280915799 386359792 /nfs/dbraw/zinc/35/97/92/386359792.db2.gz FYXCLYJINANTAB-LLVKDONJSA-N 2 2 234.347 1.711 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752533 386831547 /nfs/dbraw/zinc/83/15/47/386831547.db2.gz GUZKSWHOHYIFEN-YPMHNXCESA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430752533 386831550 /nfs/dbraw/zinc/83/15/50/386831550.db2.gz GUZKSWHOHYIFEN-YPMHNXCESA-N 2 2 233.359 1.753 20 30 BDEDLP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399514745 386931047 /nfs/dbraw/zinc/93/10/47/386931047.db2.gz OOLYWMRFSVKGSN-LBPRGKRZSA-N 2 2 246.358 1.824 20 30 BDEDLP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399514745 386931053 /nfs/dbraw/zinc/93/10/53/386931053.db2.gz OOLYWMRFSVKGSN-LBPRGKRZSA-N 2 2 246.358 1.824 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834989 386934398 /nfs/dbraw/zinc/93/43/98/386934398.db2.gz PTSCZRUPTUWMFD-RYSNWHEDSA-N 2 2 235.375 1.856 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834989 386934402 /nfs/dbraw/zinc/93/44/02/386934402.db2.gz PTSCZRUPTUWMFD-RYSNWHEDSA-N 2 2 235.375 1.856 20 30 BDEDLP N#CC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000334889949 386962332 /nfs/dbraw/zinc/96/23/32/386962332.db2.gz MZAICMVLVLIRHF-UHFFFAOYSA-N 2 2 230.315 1.893 20 30 BDEDLP CC[NH+](CC)C[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399538250 386971526 /nfs/dbraw/zinc/97/15/26/386971526.db2.gz XNWHDZFRYLEVRE-LBPRGKRZSA-N 2 2 246.358 1.826 20 30 BDEDLP C=CC[C@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000393755049 387102613 /nfs/dbraw/zinc/10/26/13/387102613.db2.gz WFMUQQBWIXUPIC-NSHDSACASA-N 2 2 236.363 1.930 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423309503 387145161 /nfs/dbraw/zinc/14/51/61/387145161.db2.gz ZXPCWVIAQRIEKS-TUAOUCFPSA-N 2 2 207.321 1.410 20 30 BDEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423572686 387380624 /nfs/dbraw/zinc/38/06/24/387380624.db2.gz OJLUEMDIUVRUCJ-STQMWFEESA-N 2 2 226.364 1.699 20 30 BDEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423572684 387380939 /nfs/dbraw/zinc/38/09/39/387380939.db2.gz OJLUEMDIUVRUCJ-QWHCGFSZSA-N 2 2 226.364 1.699 20 30 BDEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423579877 387382688 /nfs/dbraw/zinc/38/26/88/387382688.db2.gz WUISJHMSMYVONO-QWHCGFSZSA-N 2 2 224.348 1.309 20 30 BDEDLP C=C(C)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000515959857 387444838 /nfs/dbraw/zinc/44/48/38/387444838.db2.gz CCFKRDABJOSUCF-UHFFFAOYSA-N 2 2 206.293 1.108 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nccn2C)CC1 ZINC000264366267 387388856 /nfs/dbraw/zinc/38/88/56/387388856.db2.gz HUGNGZJJEULTND-UHFFFAOYSA-N 2 2 248.374 1.550 20 30 BDEDLP C=CCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423084757 387878452 /nfs/dbraw/zinc/87/84/52/387878452.db2.gz IUABLKXNKLNZEM-CHWSQXEVSA-N 2 2 224.348 1.309 20 30 BDEDLP C=C(CC)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423163660 387945179 /nfs/dbraw/zinc/94/51/79/387945179.db2.gz RHADBQQFCRJVAR-OLZOCXBDSA-N 2 2 224.348 1.309 20 30 BDEDLP C=C(CC)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423163661 387945586 /nfs/dbraw/zinc/94/55/86/387945586.db2.gz RHADBQQFCRJVAR-QWHCGFSZSA-N 2 2 224.348 1.309 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453350237 388055202 /nfs/dbraw/zinc/05/52/02/388055202.db2.gz JWULFHTWZHYUIO-OUCADQQQSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000453350237 388055203 /nfs/dbraw/zinc/05/52/03/388055203.db2.gz JWULFHTWZHYUIO-OUCADQQQSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389245 388191455 /nfs/dbraw/zinc/19/14/55/388191455.db2.gz CGZOOXOTLRWSLG-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389245 388191458 /nfs/dbraw/zinc/19/14/58/388191458.db2.gz CGZOOXOTLRWSLG-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000449447299 388208691 /nfs/dbraw/zinc/20/86/91/388208691.db2.gz XYYNROGZSUDPEY-XUXIUFHCSA-N 2 2 235.375 1.999 20 30 BDEDLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000449447299 388208693 /nfs/dbraw/zinc/20/86/93/388208693.db2.gz XYYNROGZSUDPEY-XUXIUFHCSA-N 2 2 235.375 1.999 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)(C)C ZINC000491679623 388310586 /nfs/dbraw/zinc/31/05/86/388310586.db2.gz XRFYBXUGRUFMCW-LBPRGKRZSA-N 2 2 248.374 1.624 20 30 BDEDLP C[NH+](C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000514614299 388642990 /nfs/dbraw/zinc/64/29/90/388642990.db2.gz IMJYCLBNMXCXCV-UHFFFAOYSA-N 2 2 229.327 1.740 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423340837 388691761 /nfs/dbraw/zinc/69/17/61/388691761.db2.gz XQCXDOMZWWLJFJ-NXEZZACHSA-N 2 2 203.289 1.556 20 30 BDEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C#N)cc1 ZINC000423522998 388692792 /nfs/dbraw/zinc/69/27/92/388692792.db2.gz MRAJPCGNMBUAHT-FZMZJTMJSA-N 2 2 245.326 1.197 20 30 BDEDLP C#C[C@H](CC)[NH2+]Cc1c[nH+]cn1C(C)C ZINC000229899046 388805167 /nfs/dbraw/zinc/80/51/67/388805167.db2.gz VYBHQISVCZFUHT-LLVKDONJSA-N 2 2 205.305 1.965 20 30 BDEDLP C[C@H](C#N)C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565158642 388919190 /nfs/dbraw/zinc/91/91/90/388919190.db2.gz UKWPISXZEVACCF-GFCCVEGCSA-N 2 2 246.358 1.977 20 30 BDEDLP C[C@H](C#N)C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565158642 388919193 /nfs/dbraw/zinc/91/91/93/388919193.db2.gz UKWPISXZEVACCF-GFCCVEGCSA-N 2 2 246.358 1.977 20 30 BDEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000368595978 533233727 /nfs/dbraw/zinc/23/37/27/533233727.db2.gz YTCLFYJYVOVOLX-CYBMUJFWSA-N 2 2 243.354 1.657 20 30 BDEDLP C[C@@H](C#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000054180886 132363788 /nfs/dbraw/zinc/36/37/88/132363788.db2.gz AQDARHLCGIHDED-LBPRGKRZSA-N 2 2 244.342 1.800 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252815661 135111735 /nfs/dbraw/zinc/11/17/35/135111735.db2.gz VMFLAVTVVUIQNU-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252815661 135111736 /nfs/dbraw/zinc/11/17/36/135111736.db2.gz VMFLAVTVVUIQNU-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[NH+](C)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595181 135158844 /nfs/dbraw/zinc/15/88/44/135158844.db2.gz NNAUSRKCGFYYAX-UHFFFAOYSA-N 2 2 223.364 1.952 20 30 BDEDLP N#CCCOCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293910325 135184762 /nfs/dbraw/zinc/18/47/62/135184762.db2.gz WXNDURBCCOCMCX-GFCCVEGCSA-N 2 2 248.330 1.519 20 30 BDEDLP N#CCCOCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293910325 135184764 /nfs/dbraw/zinc/18/47/64/135184764.db2.gz WXNDURBCCOCMCX-GFCCVEGCSA-N 2 2 248.330 1.519 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000341871664 135244098 /nfs/dbraw/zinc/24/40/98/135244098.db2.gz CADGYCLGEKKYFP-SGMGOOAPSA-N 2 2 238.375 1.243 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000341871664 135244099 /nfs/dbraw/zinc/24/40/99/135244099.db2.gz CADGYCLGEKKYFP-SGMGOOAPSA-N 2 2 238.375 1.243 20 30 BDEDLP N#CC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000334312778 135351824 /nfs/dbraw/zinc/35/18/24/135351824.db2.gz LAPDNCZCLQYSKJ-UHFFFAOYSA-N 2 2 230.315 1.893 20 30 BDEDLP C=CCOCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000348033829 136027671 /nfs/dbraw/zinc/02/76/71/136027671.db2.gz MZGSUFKDQNBOCG-UHFFFAOYSA-N 2 2 237.347 1.798 20 30 BDEDLP C=CCOCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000348033829 136027672 /nfs/dbraw/zinc/02/76/72/136027672.db2.gz MZGSUFKDQNBOCG-UHFFFAOYSA-N 2 2 237.347 1.798 20 30 BDEDLP C=CC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348188295 136048866 /nfs/dbraw/zinc/04/88/66/136048866.db2.gz RZNPETXNIOLCMM-UHFFFAOYSA-N 2 2 225.361 1.823 20 30 BDEDLP C=CC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348188295 136048867 /nfs/dbraw/zinc/04/88/67/136048867.db2.gz RZNPETXNIOLCMM-UHFFFAOYSA-N 2 2 225.361 1.823 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000491308635 398039334 /nfs/dbraw/zinc/03/93/34/398039334.db2.gz VNJPDCKXMHDWPP-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000491308635 398039337 /nfs/dbraw/zinc/03/93/37/398039337.db2.gz VNJPDCKXMHDWPP-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000177908392 166354105 /nfs/dbraw/zinc/35/41/05/166354105.db2.gz BKCCYHJZGFVLQY-GFCCVEGCSA-N 2 2 246.358 1.778 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000423173150 411236631 /nfs/dbraw/zinc/23/66/31/411236631.db2.gz XDXVXEQTCRSVLJ-MNOVXSKESA-N 2 2 209.337 1.514 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659168 411374836 /nfs/dbraw/zinc/37/48/36/411374836.db2.gz LBZBXMOKRDCYSW-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659168 411374840 /nfs/dbraw/zinc/37/48/40/411374840.db2.gz LBZBXMOKRDCYSW-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659168 411374844 /nfs/dbraw/zinc/37/48/44/411374844.db2.gz LBZBXMOKRDCYSW-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659168 411374849 /nfs/dbraw/zinc/37/48/49/411374849.db2.gz LBZBXMOKRDCYSW-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP C=CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590223 411425735 /nfs/dbraw/zinc/42/57/35/411425735.db2.gz UABLOKURFOXVGS-NSHDSACASA-N 2 2 205.305 1.786 20 30 BDEDLP C=CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590223 411425737 /nfs/dbraw/zinc/42/57/37/411425737.db2.gz UABLOKURFOXVGS-NSHDSACASA-N 2 2 205.305 1.786 20 30 BDEDLP C=CCOc1cccc(C[NH2+]CC[NH2+]CC)c1 ZINC000414822912 411448286 /nfs/dbraw/zinc/44/82/86/411448286.db2.gz HLNUQRUIPGIUMR-UHFFFAOYSA-N 2 2 234.343 1.951 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CO[C@@H](CC)C2)CC1 ZINC000657353287 411474088 /nfs/dbraw/zinc/47/40/88/411474088.db2.gz PSUHCLVQJIFMID-KGLIPLIRSA-N 2 2 238.375 1.794 20 30 BDEDLP C=C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659908581 411495593 /nfs/dbraw/zinc/49/55/93/411495593.db2.gz ISLFTRMODNFIBE-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659908581 411495594 /nfs/dbraw/zinc/49/55/94/411495594.db2.gz ISLFTRMODNFIBE-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341469149 176272444 /nfs/dbraw/zinc/27/24/44/176272444.db2.gz BIPOUNNZHJLUIB-DOMZBBRYSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000341469149 176272446 /nfs/dbraw/zinc/27/24/46/176272446.db2.gz BIPOUNNZHJLUIB-DOMZBBRYSA-N 2 2 243.354 1.640 20 30 BDEDLP CC#CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000680883807 487664658 /nfs/dbraw/zinc/66/46/58/487664658.db2.gz XLSVQPMFQVNIEK-CYBMUJFWSA-N 2 2 217.316 1.933 20 30 BDEDLP CC#CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000680883807 487664660 /nfs/dbraw/zinc/66/46/60/487664660.db2.gz XLSVQPMFQVNIEK-CYBMUJFWSA-N 2 2 217.316 1.933 20 30 BDEDLP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)C[NH+]1CCCC1 ZINC000564844052 322938047 /nfs/dbraw/zinc/93/80/47/322938047.db2.gz HYHCMJMBLMQRGW-KGLIPLIRSA-N 2 2 248.374 1.751 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000278258003 487682690 /nfs/dbraw/zinc/68/26/90/487682690.db2.gz NKPJWUPPFVWKQX-FRRDWIJNSA-N 2 2 232.331 1.944 20 30 BDEDLP C=CC[C@]1(C(=O)NCc2[nH]c[nH+]c2C)CCC[NH2+]1 ZINC000662753511 487708118 /nfs/dbraw/zinc/70/81/18/487708118.db2.gz SENYPQXDIITGSR-CYBMUJFWSA-N 2 2 248.330 1.033 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675495426 487740844 /nfs/dbraw/zinc/74/08/44/487740844.db2.gz GSOOVVGDFQXRLI-KGLIPLIRSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675495426 487740849 /nfs/dbraw/zinc/74/08/49/487740849.db2.gz GSOOVVGDFQXRLI-KGLIPLIRSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571578420 323148389 /nfs/dbraw/zinc/14/83/89/323148389.db2.gz LRSGCLLTFRYNJQ-UHFFFAOYSA-N 2 2 234.347 1.888 20 30 BDEDLP C=CCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563969511 323336373 /nfs/dbraw/zinc/33/63/73/323336373.db2.gz XLMYELGBYDKQCL-ZDUSSCGKSA-N 2 2 238.375 1.748 20 30 BDEDLP C=CCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563969511 323336377 /nfs/dbraw/zinc/33/63/77/323336377.db2.gz XLMYELGBYDKQCL-ZDUSSCGKSA-N 2 2 238.375 1.748 20 30 BDEDLP COCC#CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000677820251 487518829 /nfs/dbraw/zinc/51/88/29/487518829.db2.gz KOVMNAUJPUIAKR-OLZOCXBDSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000677820251 487518835 /nfs/dbraw/zinc/51/88/35/487518835.db2.gz KOVMNAUJPUIAKR-OLZOCXBDSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000677820251 487518841 /nfs/dbraw/zinc/51/88/41/487518841.db2.gz KOVMNAUJPUIAKR-OLZOCXBDSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000677820251 487518846 /nfs/dbraw/zinc/51/88/46/487518846.db2.gz KOVMNAUJPUIAKR-OLZOCXBDSA-N 2 2 224.348 1.051 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nn1 ZINC000655938386 490264671 /nfs/dbraw/zinc/26/46/71/490264671.db2.gz UQDTZWXCJYJIGS-VXGBXAGGSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nn1 ZINC000655938386 490264673 /nfs/dbraw/zinc/26/46/73/490264673.db2.gz UQDTZWXCJYJIGS-VXGBXAGGSA-N 2 2 249.362 1.023 20 30 BDEDLP C(#Cc1ccccc1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322380 491124285 /nfs/dbraw/zinc/12/42/85/491124285.db2.gz UTHKHTCRWODMHN-HUUCEWRRSA-N 2 2 226.323 1.189 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000121522464 534778874 /nfs/dbraw/zinc/77/88/74/534778874.db2.gz CKCVQYVHQKEHHC-CHWSQXEVSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000121522464 534778878 /nfs/dbraw/zinc/77/88/78/534778878.db2.gz CKCVQYVHQKEHHC-CHWSQXEVSA-N 2 2 238.375 1.794 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893988759 583270601 /nfs/dbraw/zinc/27/06/01/583270601.db2.gz KUCZIEHELJOTTQ-LBPRGKRZSA-N 2 2 247.342 1.502 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893988759 583270604 /nfs/dbraw/zinc/27/06/04/583270604.db2.gz KUCZIEHELJOTTQ-LBPRGKRZSA-N 2 2 247.342 1.502 20 30 BDEDLP C=CC[N@@H+](CCOC)Cc1c(C)cc[nH+]c1N ZINC000894547634 583482357 /nfs/dbraw/zinc/48/23/57/583482357.db2.gz IAXQKDCTVMZWQK-UHFFFAOYSA-N 2 2 235.331 1.607 20 30 BDEDLP C=CC[N@H+](CCOC)Cc1c(C)cc[nH+]c1N ZINC000894547634 583482358 /nfs/dbraw/zinc/48/23/58/583482358.db2.gz IAXQKDCTVMZWQK-UHFFFAOYSA-N 2 2 235.331 1.607 20 30 BDEDLP C[NH+]1CCC(C[NH+]2CC(C)(C#N)C2)CC1 ZINC000894821947 583525377 /nfs/dbraw/zinc/52/53/77/583525377.db2.gz LLFUQJBRXAJEDE-UHFFFAOYSA-N 2 2 207.321 1.174 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857868061 588915977 /nfs/dbraw/zinc/91/59/77/588915977.db2.gz OHULGJSBAAQEKD-CYBMUJFWSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857868061 588915978 /nfs/dbraw/zinc/91/59/78/588915978.db2.gz OHULGJSBAAQEKD-CYBMUJFWSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857868061 588915979 /nfs/dbraw/zinc/91/59/79/588915979.db2.gz OHULGJSBAAQEKD-CYBMUJFWSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857868061 588915980 /nfs/dbraw/zinc/91/59/80/588915980.db2.gz OHULGJSBAAQEKD-CYBMUJFWSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[C@@H](CCOC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000858334939 588947133 /nfs/dbraw/zinc/94/71/33/588947133.db2.gz UJIQWDTYLQVEGI-LBPRGKRZSA-N 2 2 235.331 1.247 20 30 BDEDLP C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000900010338 584265783 /nfs/dbraw/zinc/26/57/83/584265783.db2.gz QDCNCRMMMKFDBD-NXEZZACHSA-N 2 2 236.319 1.850 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@@H+]1C ZINC000903300068 584744061 /nfs/dbraw/zinc/74/40/61/584744061.db2.gz FPVZFUBOXXTXRU-MROQNXINSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@H+]1C ZINC000903300068 584744062 /nfs/dbraw/zinc/74/40/62/584744062.db2.gz FPVZFUBOXXTXRU-MROQNXINSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@]1(C#N)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903767377 584798041 /nfs/dbraw/zinc/79/80/41/584798041.db2.gz WEAVVPACHWHKIV-OLZOCXBDSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903767377 584798042 /nfs/dbraw/zinc/79/80/42/584798042.db2.gz WEAVVPACHWHKIV-OLZOCXBDSA-N 2 2 221.348 1.612 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)o1)C1(C[NH3+])CCOCC1 ZINC000903809551 584803356 /nfs/dbraw/zinc/80/33/56/584803356.db2.gz DGALNMLCBIUNBZ-UHFFFAOYSA-N 2 2 249.314 1.091 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)o1)C1(C[NH3+])CCOCC1 ZINC000903809551 584803358 /nfs/dbraw/zinc/80/33/58/584803358.db2.gz DGALNMLCBIUNBZ-UHFFFAOYSA-N 2 2 249.314 1.091 20 30 BDEDLP C#C[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000775572984 585680762 /nfs/dbraw/zinc/68/07/62/585680762.db2.gz FFZXUBHRUFUHCE-KBPBESRZSA-N 2 2 236.359 1.241 20 30 BDEDLP COCCO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000776187928 585692530 /nfs/dbraw/zinc/69/25/30/585692530.db2.gz PQOJTJBDHGKVTD-UHFFFAOYSA-N 2 2 223.276 1.145 20 30 BDEDLP C#CC[NH+]1CCC(Nc2[nH+]cccc2OC)CC1 ZINC000777290194 585710190 /nfs/dbraw/zinc/71/01/90/585710190.db2.gz HISYVQJWVOQRFY-UHFFFAOYSA-N 2 2 245.326 1.600 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000785996558 585884758 /nfs/dbraw/zinc/88/47/58/585884758.db2.gz DVMLKKCJDNGTIX-UONOGXRCSA-N 2 2 238.375 1.484 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000785996558 585884759 /nfs/dbraw/zinc/88/47/59/585884759.db2.gz DVMLKKCJDNGTIX-UONOGXRCSA-N 2 2 238.375 1.484 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000801918559 586276697 /nfs/dbraw/zinc/27/66/97/586276697.db2.gz RCMVIXCADZWDMX-CHWSQXEVSA-N 2 2 248.330 1.449 20 30 BDEDLP C[C@H](C#N)OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000801918559 586276700 /nfs/dbraw/zinc/27/67/00/586276700.db2.gz RCMVIXCADZWDMX-CHWSQXEVSA-N 2 2 248.330 1.449 20 30 BDEDLP C#CCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000859776539 589060465 /nfs/dbraw/zinc/06/04/65/589060465.db2.gz XIHPUEOFRUBEJY-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP C=C(Cl)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817903889 586837480 /nfs/dbraw/zinc/83/74/80/586837480.db2.gz NQVWDYYZHHQCFG-MRVPVSSYSA-N 2 2 211.696 1.897 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000817932778 586843058 /nfs/dbraw/zinc/84/30/58/586843058.db2.gz WNFOINJHDHOYLS-ZIAGYGMSSA-N 2 2 244.342 1.703 20 30 BDEDLP C#C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000826534889 587354009 /nfs/dbraw/zinc/35/40/09/587354009.db2.gz LVYLRVPWEAEEPD-LBPRGKRZSA-N 2 2 229.327 1.675 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000826534889 587354010 /nfs/dbraw/zinc/35/40/10/587354010.db2.gz LVYLRVPWEAEEPD-LBPRGKRZSA-N 2 2 229.327 1.675 20 30 BDEDLP C#C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCOCC1 ZINC000827564312 587388467 /nfs/dbraw/zinc/38/84/67/587388467.db2.gz BALXQAUJQVSXHJ-AWEZNQCLSA-N 2 2 236.359 1.099 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1CC)[C@@H]1CCCO1 ZINC000841872061 587979197 /nfs/dbraw/zinc/97/91/97/587979197.db2.gz IOWUCFYVOIWESA-OLZOCXBDSA-N 2 2 233.315 1.173 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]NC12CC(C1)C2 ZINC000842545693 588039643 /nfs/dbraw/zinc/03/96/43/588039643.db2.gz KRBMMHLNQPGQHQ-UHFFFAOYSA-N 2 2 230.315 1.624 20 30 BDEDLP N#Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347732 588102461 /nfs/dbraw/zinc/10/24/61/588102461.db2.gz JGCAGAWXPHFCPF-NSHDSACASA-N 2 2 230.315 1.124 20 30 BDEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347732 588102463 /nfs/dbraw/zinc/10/24/63/588102463.db2.gz JGCAGAWXPHFCPF-NSHDSACASA-N 2 2 230.315 1.124 20 30 BDEDLP C#CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846838994 588292109 /nfs/dbraw/zinc/29/21/09/588292109.db2.gz SIRLPOQCFZBMKY-NSHDSACASA-N 2 2 203.289 1.233 20 30 BDEDLP C#CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846838994 588292110 /nfs/dbraw/zinc/29/21/10/588292110.db2.gz SIRLPOQCFZBMKY-NSHDSACASA-N 2 2 203.289 1.233 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000847021773 588302689 /nfs/dbraw/zinc/30/26/89/588302689.db2.gz PAOZBWMGKSVWJC-CYBMUJFWSA-N 2 2 217.316 1.537 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000847021773 588302690 /nfs/dbraw/zinc/30/26/90/588302690.db2.gz PAOZBWMGKSVWJC-CYBMUJFWSA-N 2 2 217.316 1.537 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1nc[nH+]c(C)c1OC ZINC000848712302 588407533 /nfs/dbraw/zinc/40/75/33/588407533.db2.gz IAWQPFSCNRTDGR-UHFFFAOYSA-N 2 2 248.330 1.161 20 30 BDEDLP C#CC[N@H+](C)CCCNc1nc[nH+]c(C)c1OC ZINC000848712302 588407535 /nfs/dbraw/zinc/40/75/35/588407535.db2.gz IAWQPFSCNRTDGR-UHFFFAOYSA-N 2 2 248.330 1.161 20 30 BDEDLP C#C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848910591 588419373 /nfs/dbraw/zinc/41/93/73/588419373.db2.gz NLIANCTYNAGYQE-GXTWGEPZSA-N 2 2 236.359 1.241 20 30 BDEDLP C=C(Cl)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000852743850 588699054 /nfs/dbraw/zinc/69/90/54/588699054.db2.gz LXVXMLCBNUHXOP-UHFFFAOYSA-N 2 2 214.740 1.955 20 30 BDEDLP C=C(Cl)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000852743850 588699055 /nfs/dbraw/zinc/69/90/55/588699055.db2.gz LXVXMLCBNUHXOP-UHFFFAOYSA-N 2 2 214.740 1.955 20 30 BDEDLP C=C(Cl)C[C@@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871788429 589819284 /nfs/dbraw/zinc/81/92/84/589819284.db2.gz KYGWHECQJWBSOJ-HTQZYQBOSA-N 2 2 242.710 1.637 20 30 BDEDLP C[C@](C[NH3+])([NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000872141526 589882222 /nfs/dbraw/zinc/88/22/22/589882222.db2.gz KSJVETVIZLVMKG-GFCCVEGCSA-N 2 2 219.288 1.368 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]OC[C@H]1CCOC1 ZINC000872367656 589921800 /nfs/dbraw/zinc/92/18/00/589921800.db2.gz CHNIAGOXSQTDPK-JTQLQIEISA-N 2 2 235.287 1.359 20 30 BDEDLP C=C[C@H](C)O[NH+]=Cc1c(C)cc[nH+]c1N ZINC000872386883 589929989 /nfs/dbraw/zinc/92/99/89/589929989.db2.gz GWWPQPNRFPTZSI-VIFPVBQESA-N 2 2 205.261 1.897 20 30 BDEDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743107 590409678 /nfs/dbraw/zinc/40/96/78/590409678.db2.gz IDYSWHCKADELKC-FZMZJTMJSA-N 2 2 245.326 1.677 20 30 BDEDLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743107 590409680 /nfs/dbraw/zinc/40/96/80/590409680.db2.gz IDYSWHCKADELKC-FZMZJTMJSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743107 590409682 /nfs/dbraw/zinc/40/96/82/590409682.db2.gz IDYSWHCKADELKC-FZMZJTMJSA-N 2 2 245.326 1.677 20 30 BDEDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000877743107 590409685 /nfs/dbraw/zinc/40/96/85/590409685.db2.gz IDYSWHCKADELKC-FZMZJTMJSA-N 2 2 245.326 1.677 20 30 BDEDLP C#CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879947742 590895565 /nfs/dbraw/zinc/89/55/65/590895565.db2.gz LYFKHYMWQSGMJR-UHFFFAOYSA-N 2 2 220.360 1.960 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000328158409 633740977 /nfs/dbraw/zinc/74/09/77/633740977.db2.gz HJXPBJPKFVSIKG-UHFFFAOYSA-N 2 2 240.734 1.978 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000328158409 633741001 /nfs/dbraw/zinc/74/10/01/633741001.db2.gz HJXPBJPKFVSIKG-UHFFFAOYSA-N 2 2 240.734 1.978 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158260162 640826097 /nfs/dbraw/zinc/82/60/97/640826097.db2.gz UQTANEKALPWZTH-NXEZZACHSA-N 2 2 202.729 1.811 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158260162 640826100 /nfs/dbraw/zinc/82/61/00/640826100.db2.gz UQTANEKALPWZTH-NXEZZACHSA-N 2 2 202.729 1.811 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000923286276 644320674 /nfs/dbraw/zinc/32/06/74/644320674.db2.gz MHZKFBQAZPSHDB-OLZOCXBDSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000923286276 644320679 /nfs/dbraw/zinc/32/06/79/644320679.db2.gz MHZKFBQAZPSHDB-OLZOCXBDSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000923332898 644353985 /nfs/dbraw/zinc/35/39/85/644353985.db2.gz XIHFWANSXJGWLV-HNNXBMFYSA-N 2 2 248.370 1.774 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000923332898 644353987 /nfs/dbraw/zinc/35/39/87/644353987.db2.gz XIHFWANSXJGWLV-HNNXBMFYSA-N 2 2 248.370 1.774 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378881 644392078 /nfs/dbraw/zinc/39/20/78/644392078.db2.gz GBAFWLWHSPEIBD-CHWSQXEVSA-N 2 2 224.348 1.141 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378881 644392081 /nfs/dbraw/zinc/39/20/81/644392081.db2.gz GBAFWLWHSPEIBD-CHWSQXEVSA-N 2 2 224.348 1.141 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923421985 644416588 /nfs/dbraw/zinc/41/65/88/644416588.db2.gz FOZWRTWWMQVKRI-OLZOCXBDSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923421985 644416589 /nfs/dbraw/zinc/41/65/89/644416589.db2.gz FOZWRTWWMQVKRI-OLZOCXBDSA-N 2 2 226.364 1.387 20 30 BDEDLP C[C@@H]1CCCN(C(=[NH2+])NCCCn2cc[nH+]c2)C1 ZINC000303707341 644838737 /nfs/dbraw/zinc/83/87/37/644838737.db2.gz MELAUKXPEJPXQA-GFCCVEGCSA-N 2 2 249.362 1.320 20 30 BDEDLP CC(C)NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000303975248 644861173 /nfs/dbraw/zinc/86/11/73/644861173.db2.gz IXXYYUNVHWHAFC-UHFFFAOYSA-N 2 2 249.362 1.586 20 30 BDEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CC#N ZINC000809574022 644893244 /nfs/dbraw/zinc/89/32/44/644893244.db2.gz CXYJMEDTAIYGSL-CHWSQXEVSA-N 2 2 239.363 1.067 20 30 BDEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CC#N ZINC000809574022 644893248 /nfs/dbraw/zinc/89/32/48/644893248.db2.gz CXYJMEDTAIYGSL-CHWSQXEVSA-N 2 2 239.363 1.067 20 30 BDEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CC#N ZINC000809574022 644893253 /nfs/dbraw/zinc/89/32/53/644893253.db2.gz CXYJMEDTAIYGSL-CHWSQXEVSA-N 2 2 239.363 1.067 20 30 BDEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CC#N ZINC000809574022 644893256 /nfs/dbraw/zinc/89/32/56/644893256.db2.gz CXYJMEDTAIYGSL-CHWSQXEVSA-N 2 2 239.363 1.067 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000924983294 646150815 /nfs/dbraw/zinc/15/08/15/646150815.db2.gz DOIUOOBUVGYHOU-WCQYABFASA-N 2 2 224.348 1.261 20 30 BDEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925721590 646445890 /nfs/dbraw/zinc/44/58/90/646445890.db2.gz OORWXZQIQKHQAM-LLVKDONJSA-N 2 2 212.337 1.167 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cccnc21 ZINC000385859221 711019631 /nfs/dbraw/zinc/01/96/31/711019631.db2.gz WNICEGZBPCSQEG-AWEZNQCLSA-N 2 2 243.354 1.614 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cccnc21 ZINC000385859221 711019638 /nfs/dbraw/zinc/01/96/38/711019638.db2.gz WNICEGZBPCSQEG-AWEZNQCLSA-N 2 2 243.354 1.614 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000381789142 710715223 /nfs/dbraw/zinc/71/52/23/710715223.db2.gz ZQAPVEYHICNOSA-NEPJUHHUSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000381789142 710715226 /nfs/dbraw/zinc/71/52/26/710715226.db2.gz ZQAPVEYHICNOSA-NEPJUHHUSA-N 2 2 221.348 1.610 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709979565 712236541 /nfs/dbraw/zinc/23/65/41/712236541.db2.gz HFNVGWPJHAITRX-QWRGUYRKSA-N 2 2 211.353 1.854 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1conc1C ZINC000713490463 712461977 /nfs/dbraw/zinc/46/19/77/712461977.db2.gz INTZOKLCVKFAGG-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1conc1C ZINC000713490463 712461978 /nfs/dbraw/zinc/46/19/78/712461978.db2.gz INTZOKLCVKFAGG-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C=CCC1(O)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000717459925 712659233 /nfs/dbraw/zinc/65/92/33/712659233.db2.gz MCXNUBYIDPGXSA-UHFFFAOYSA-N 2 2 249.358 1.595 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccns1 ZINC000404439019 959269995 /nfs/dbraw/zinc/26/99/95/959269995.db2.gz UYFAWBREUAGCEY-UHFFFAOYSA-N 2 2 223.345 1.188 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccns1 ZINC000404439019 959270012 /nfs/dbraw/zinc/27/00/12/959270012.db2.gz UYFAWBREUAGCEY-UHFFFAOYSA-N 2 2 223.345 1.188 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256209265 970712547 /nfs/dbraw/zinc/71/25/47/970712547.db2.gz UTUIKHFCESWPMJ-LBPRGKRZSA-N 2 2 206.333 1.426 20 30 BDEDLP C#C[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256209265 970712555 /nfs/dbraw/zinc/71/25/55/970712555.db2.gz UTUIKHFCESWPMJ-LBPRGKRZSA-N 2 2 206.333 1.426 20 30 BDEDLP Cc1ccc(CC#N)c(NCC2C[NH+](C)C2)[nH+]1 ZINC001159222459 971749527 /nfs/dbraw/zinc/74/95/27/971749527.db2.gz NGFZMRMRNRUODR-UHFFFAOYSA-N 2 2 230.315 1.430 20 30 BDEDLP C=C[C@@H](COC)[NH2+]Cc1c[nH+]c(C)n1C ZINC001327195195 972493450 /nfs/dbraw/zinc/49/34/50/972493450.db2.gz VZORKGIBIAIJGH-JTQLQIEISA-N 2 2 209.293 1.019 20 30 BDEDLP C[C@@H]1C[C@@H](CNc2cc(CC#N)cc[nH+]2)C[NH2+]1 ZINC001155101636 962981423 /nfs/dbraw/zinc/98/14/23/962981423.db2.gz GLNACMYGIXYSSH-ZYHUDNBSSA-N 2 2 230.315 1.558 20 30 BDEDLP Cc1c[nH+]c(NCC[C@@H](C)[NH3+])c(/C=N/O)c1 ZINC001159773264 964192312 /nfs/dbraw/zinc/19/23/12/964192312.db2.gz ZZCUANPYESOPQX-NEFPKRPYSA-N 2 2 222.292 1.347 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206176349 968107240 /nfs/dbraw/zinc/10/72/40/968107240.db2.gz ZISAYCPRLKNXIS-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206176349 968107246 /nfs/dbraw/zinc/10/72/46/968107246.db2.gz ZISAYCPRLKNXIS-CHWSQXEVSA-N 2 2 248.305 1.214 20 30 BDEDLP C[NH+](C)CC1(C[NH+]2CC(CC#N)C2)CCCC1 ZINC001208182435 969112569 /nfs/dbraw/zinc/11/25/69/969112569.db2.gz TVKSBGZAGHAPJE-UHFFFAOYSA-N 2 2 235.375 1.954 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(CC#N)C1)C2 ZINC001169125882 969424449 /nfs/dbraw/zinc/42/44/49/969424449.db2.gz MWQVPQOHOOCLFS-ITGUQSILSA-N 2 2 219.332 1.457 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(CC#N)C1)C2 ZINC001169125882 969424454 /nfs/dbraw/zinc/42/44/54/969424454.db2.gz MWQVPQOHOOCLFS-ITGUQSILSA-N 2 2 219.332 1.457 20 30 BDEDLP C#CCCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254846251 969803568 /nfs/dbraw/zinc/80/35/68/969803568.db2.gz URQIPXUCJZLVKQ-CQSZACIVSA-N 2 2 220.360 1.864 20 30 BDEDLP C#CC(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066576 970632426 /nfs/dbraw/zinc/63/24/26/970632426.db2.gz JAVQGVOGLBVJQY-UHFFFAOYSA-N 2 2 206.333 1.615 20 30 BDEDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001327857273 972761624 /nfs/dbraw/zinc/76/16/24/972761624.db2.gz ZQWKDROYAVPKSQ-HGWMRPEMSA-N 2 2 243.354 1.936 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1C[NH+](C)C1 ZINC001171190376 972841808 /nfs/dbraw/zinc/84/18/08/972841808.db2.gz SUJZUFMBORIKMA-GFCCVEGCSA-N 2 2 243.354 1.640 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246835169 973134259 /nfs/dbraw/zinc/13/42/59/973134259.db2.gz HHRVAHUZGVPVFZ-XQQFMLRXSA-N 2 2 206.333 1.472 20 30 BDEDLP C#C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246835169 973134272 /nfs/dbraw/zinc/13/42/72/973134272.db2.gz HHRVAHUZGVPVFZ-XQQFMLRXSA-N 2 2 206.333 1.472 20 30 BDEDLP C=C[C@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001330868282 974513234 /nfs/dbraw/zinc/51/32/34/974513234.db2.gz VTOZWCKPIKHHHG-LLVKDONJSA-N 2 2 224.348 1.404 20 30 BDEDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C#N)o1 ZINC001331846019 974834287 /nfs/dbraw/zinc/83/42/87/974834287.db2.gz BIYGMICRHPVCAI-SECBINFHSA-N 2 2 207.277 1.096 20 30 BDEDLP C=CC[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001333021331 975372445 /nfs/dbraw/zinc/37/24/45/975372445.db2.gz DXYAYRQRTBFMFE-NSHDSACASA-N 2 2 220.320 1.496 20 30 BDEDLP N#Cc1ccc(CCC[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236016136 979304221 /nfs/dbraw/zinc/30/42/21/979304221.db2.gz OEKITDCNIHUPSN-GJZGRUSLSA-N 2 2 241.338 1.524 20 30 BDEDLP N#Cc1ccc(CCC[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236016136 979304233 /nfs/dbraw/zinc/30/42/33/979304233.db2.gz OEKITDCNIHUPSN-GJZGRUSLSA-N 2 2 241.338 1.524 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)CCc1cccc(C#N)c1 ZINC001348564475 981396730 /nfs/dbraw/zinc/39/67/30/981396730.db2.gz ZNDZOSGOHLRPAD-NSHDSACASA-N 2 2 217.316 1.380 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001348564475 981396733 /nfs/dbraw/zinc/39/67/33/981396733.db2.gz ZNDZOSGOHLRPAD-NSHDSACASA-N 2 2 217.316 1.380 20 30 BDEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254650008 986701619 /nfs/dbraw/zinc/70/16/19/986701619.db2.gz SEWGILCHTWWHDP-RDBSUJKOSA-N 2 2 235.375 1.999 20 30 BDEDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254650008 986701634 /nfs/dbraw/zinc/70/16/34/986701634.db2.gz SEWGILCHTWWHDP-RDBSUJKOSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C[NH2+]1 ZINC001246081376 987375930 /nfs/dbraw/zinc/37/59/30/987375930.db2.gz SEEDKLAPHZSLMB-BJDJZHNGSA-N 2 2 207.321 1.409 20 30 BDEDLP CC1(C#N)CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246104155 987428382 /nfs/dbraw/zinc/42/83/82/987428382.db2.gz ZUSILTQFVXTARJ-ZFQMDJOTSA-N 2 2 239.338 1.748 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CC[NH2+]1 ZINC001246483666 987841350 /nfs/dbraw/zinc/84/13/50/987841350.db2.gz MUUAULZMZGTAAB-MWLCHTKSSA-N 2 2 219.288 1.381 20 30 BDEDLP C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563770 988003566 /nfs/dbraw/zinc/00/35/66/988003566.db2.gz BVHLMJBEOQNUJL-WYUUTHIRSA-N 2 2 207.321 1.348 20 30 BDEDLP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563770 988003576 /nfs/dbraw/zinc/00/35/76/988003576.db2.gz BVHLMJBEOQNUJL-WYUUTHIRSA-N 2 2 207.321 1.348 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648142 988373679 /nfs/dbraw/zinc/37/36/79/988373679.db2.gz KZSJZKZWSXIHDX-MGPQQGTHSA-N 2 2 233.359 1.897 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648142 988373689 /nfs/dbraw/zinc/37/36/89/988373689.db2.gz KZSJZKZWSXIHDX-MGPQQGTHSA-N 2 2 233.359 1.897 20 30 BDEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)C[C@H]1C[NH3+] ZINC001576732925 993412869 /nfs/dbraw/zinc/41/28/69/993412869.db2.gz ZVCSGMVBRLYPJP-DGCLKSJQSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C[C@H]1C[NH3+] ZINC001576732925 993412874 /nfs/dbraw/zinc/41/28/74/993412874.db2.gz ZVCSGMVBRLYPJP-DGCLKSJQSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1[NH3+] ZINC001576806833 993426610 /nfs/dbraw/zinc/42/66/10/993426610.db2.gz JUGLFNIAEIVIJK-MFKMUULPSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@@H]1[NH3+] ZINC001576806833 993426614 /nfs/dbraw/zinc/42/66/14/993426614.db2.gz JUGLFNIAEIVIJK-MFKMUULPSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1[NH3+] ZINC001576806834 993426852 /nfs/dbraw/zinc/42/68/52/993426852.db2.gz JUGLFNIAEIVIJK-ZWNOBZJWSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@H]1[NH3+] ZINC001576806834 993426859 /nfs/dbraw/zinc/42/68/59/993426859.db2.gz JUGLFNIAEIVIJK-ZWNOBZJWSA-N 2 2 230.315 1.122 20 30 BDEDLP Cn1cc[nH+]c1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000390799114 993805184 /nfs/dbraw/zinc/80/51/84/993805184.db2.gz VZXLPJYBNBVYPE-MNOVXSKESA-N 2 2 218.304 1.244 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306092941 343985837 /nfs/dbraw/zinc/98/58/37/343985837.db2.gz MNNUSXVMXMCTJE-HNNXBMFYSA-N 2 2 241.338 1.744 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306092941 343985840 /nfs/dbraw/zinc/98/58/40/343985840.db2.gz MNNUSXVMXMCTJE-HNNXBMFYSA-N 2 2 241.338 1.744 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000602531225 349580008 /nfs/dbraw/zinc/58/00/08/349580008.db2.gz ULWXHJVLAGGCLD-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000602531225 349580011 /nfs/dbraw/zinc/58/00/11/349580011.db2.gz ULWXHJVLAGGCLD-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000183836342 346858863 /nfs/dbraw/zinc/85/88/63/346858863.db2.gz QPWJOQCGRSDMFB-NSHDSACASA-N 2 2 223.364 1.999 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602692072 349689239 /nfs/dbraw/zinc/68/92/39/349689239.db2.gz GOTLMKJEZAGGFG-WXRRBKDZSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602692072 349689241 /nfs/dbraw/zinc/68/92/41/349689241.db2.gz GOTLMKJEZAGGFG-WXRRBKDZSA-N 2 2 221.348 1.753 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329724863 136255686 /nfs/dbraw/zinc/25/56/86/136255686.db2.gz BQPFMYUUWCJYMA-GRYCIOLGSA-N 2 2 244.342 1.939 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329724863 136255687 /nfs/dbraw/zinc/25/56/87/136255687.db2.gz BQPFMYUUWCJYMA-GRYCIOLGSA-N 2 2 244.342 1.939 20 30 BDEDLP Cc1cc(N2CCC[C@@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000075563233 343052360 /nfs/dbraw/zinc/05/23/60/343052360.db2.gz ILWSUOUQWHWRQK-LLVKDONJSA-N 2 2 216.288 1.189 20 30 BDEDLP C[C@H](CC#N)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314403806 259345534 /nfs/dbraw/zinc/34/55/34/259345534.db2.gz UZAYNIUCZOBSNX-LLVKDONJSA-N 2 2 220.320 1.587 20 30 BDEDLP C[C@H](CC#N)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314403806 259345536 /nfs/dbraw/zinc/34/55/36/259345536.db2.gz UZAYNIUCZOBSNX-LLVKDONJSA-N 2 2 220.320 1.587 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982110 349833832 /nfs/dbraw/zinc/83/38/32/349833832.db2.gz NRVMKYHCTYXTNU-DGCLKSJQSA-N 2 2 232.331 1.587 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982110 349833834 /nfs/dbraw/zinc/83/38/34/349833834.db2.gz NRVMKYHCTYXTNU-DGCLKSJQSA-N 2 2 232.331 1.587 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980534 349846498 /nfs/dbraw/zinc/84/64/98/349846498.db2.gz QYXQMLGCGYDUBT-OLZOCXBDSA-N 2 2 232.331 1.816 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980534 349846502 /nfs/dbraw/zinc/84/65/02/349846502.db2.gz QYXQMLGCGYDUBT-OLZOCXBDSA-N 2 2 232.331 1.816 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602502078 343871885 /nfs/dbraw/zinc/87/18/85/343871885.db2.gz HSTFZCRLIZAISB-UHFFFAOYSA-N 2 2 230.315 1.137 20 30 BDEDLP C[NH2+]CCC[N@H+](C)Cc1ccccc1C#N ZINC000087472593 344234651 /nfs/dbraw/zinc/23/46/51/344234651.db2.gz PVXHMIMKYSJDBA-UHFFFAOYSA-N 2 2 217.316 1.600 20 30 BDEDLP C[NH2+]CCC[N@@H+](C)Cc1ccccc1C#N ZINC000087472593 344234652 /nfs/dbraw/zinc/23/46/52/344234652.db2.gz PVXHMIMKYSJDBA-UHFFFAOYSA-N 2 2 217.316 1.600 20 30 BDEDLP CC#CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119808031 344595771 /nfs/dbraw/zinc/59/57/71/344595771.db2.gz NYYXUZXLEOEWGQ-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP CC#CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119808031 344595774 /nfs/dbraw/zinc/59/57/74/344595774.db2.gz NYYXUZXLEOEWGQ-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP CC#CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156399985 345153571 /nfs/dbraw/zinc/15/35/71/345153571.db2.gz QTZFAMKCHQXZDE-CYBMUJFWSA-N 2 2 216.284 1.558 20 30 BDEDLP CC#CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156399985 345153572 /nfs/dbraw/zinc/15/35/72/345153572.db2.gz QTZFAMKCHQXZDE-CYBMUJFWSA-N 2 2 216.284 1.558 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309503281 347088224 /nfs/dbraw/zinc/08/82/24/347088224.db2.gz VGAYGLXPJUKZJN-UTUOFQBUSA-N 2 2 218.304 1.553 20 30 BDEDLP CC#CC[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000641767876 362702649 /nfs/dbraw/zinc/70/26/49/362702649.db2.gz RTVDHZIYDZUKMU-GFCCVEGCSA-N 2 2 243.310 1.198 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CC)CC1 ZINC000054181957 347478699 /nfs/dbraw/zinc/47/86/99/347478699.db2.gz IIFDGLZOJNARGT-NSHDSACASA-N 2 2 209.337 1.753 20 30 BDEDLP N#CCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590600263 347480388 /nfs/dbraw/zinc/48/03/88/347480388.db2.gz NQIMIEOFVYUFTG-UHFFFAOYSA-N 2 2 204.277 1.462 20 30 BDEDLP N#CCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590600263 347480390 /nfs/dbraw/zinc/48/03/90/347480390.db2.gz NQIMIEOFVYUFTG-UHFFFAOYSA-N 2 2 204.277 1.462 20 30 BDEDLP Cn1c[nH+]cc1CC[NH2+]Cc1nc(C#N)cs1 ZINC000401662308 347507356 /nfs/dbraw/zinc/50/73/56/347507356.db2.gz YKKJTFADPQQRJL-UHFFFAOYSA-N 2 2 247.327 1.081 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000591577307 347676783 /nfs/dbraw/zinc/67/67/83/347676783.db2.gz OCYKQXXNGYDDJS-HNNXBMFYSA-N 2 2 241.338 1.887 20 30 BDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH3+] ZINC000591575903 347676829 /nfs/dbraw/zinc/67/68/29/347676829.db2.gz PYZOYHXUNNLQBO-CYBMUJFWSA-N 2 2 215.300 1.484 20 30 BDEDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C#N)cc1 ZINC000591581084 347677588 /nfs/dbraw/zinc/67/75/88/347677588.db2.gz KCJNUWWPKZXNIT-SWHYSGLUSA-N 2 2 247.317 1.909 20 30 BDEDLP N#CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000594611001 348082435 /nfs/dbraw/zinc/08/24/35/348082435.db2.gz BBOBYBPEVVHCBL-CYBMUJFWSA-N 2 2 249.358 1.133 20 30 BDEDLP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)C#N ZINC000595819669 348359988 /nfs/dbraw/zinc/35/99/88/348359988.db2.gz UILVRVJWJYDNTJ-LLVKDONJSA-N 2 2 220.320 1.587 20 30 BDEDLP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)C#N ZINC000595819669 348359992 /nfs/dbraw/zinc/35/99/92/348359992.db2.gz UILVRVJWJYDNTJ-LLVKDONJSA-N 2 2 220.320 1.587 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000596654941 348607597 /nfs/dbraw/zinc/60/75/97/348607597.db2.gz RPWVBVPEIGUZIC-WDEREUQCSA-N 2 2 217.316 1.817 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329724866 350299346 /nfs/dbraw/zinc/29/93/46/350299346.db2.gz BQPFMYUUWCJYMA-UTUOFQBUSA-N 2 2 244.342 1.939 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329724866 350299348 /nfs/dbraw/zinc/29/93/48/350299348.db2.gz BQPFMYUUWCJYMA-UTUOFQBUSA-N 2 2 244.342 1.939 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC#N)[C@H](C)C1 ZINC000336653013 350420119 /nfs/dbraw/zinc/42/01/19/350420119.db2.gz XMNYRWBDBYIDQG-VXGBXAGGSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CCC#N)[C@H](C)C1 ZINC000336653013 350420126 /nfs/dbraw/zinc/42/01/26/350420126.db2.gz XMNYRWBDBYIDQG-VXGBXAGGSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CCC#N)[C@H](C)C1 ZINC000336653013 350420129 /nfs/dbraw/zinc/42/01/29/350420129.db2.gz XMNYRWBDBYIDQG-VXGBXAGGSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC#N)[C@H](C)C1 ZINC000336653013 350420132 /nfs/dbraw/zinc/42/01/32/350420132.db2.gz XMNYRWBDBYIDQG-VXGBXAGGSA-N 2 2 209.337 1.562 20 30 BDEDLP C=CCC[NH+]1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000606897857 350623813 /nfs/dbraw/zinc/62/38/13/350623813.db2.gz KATPBRWFSNTJJY-UHFFFAOYSA-N 2 2 248.374 1.597 20 30 BDEDLP C=CCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000336684281 350920185 /nfs/dbraw/zinc/92/01/85/350920185.db2.gz KHYPNGQMBJGPKR-VXGBXAGGSA-N 2 2 212.337 1.309 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1C ZINC000129175017 351007872 /nfs/dbraw/zinc/00/78/72/351007872.db2.gz RTKVBEDSSAVGLX-QWRGUYRKSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1C ZINC000129175017 351007874 /nfs/dbraw/zinc/00/78/74/351007874.db2.gz RTKVBEDSSAVGLX-QWRGUYRKSA-N 2 2 209.337 1.608 20 30 BDEDLP C=C(C)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000271327004 351413007 /nfs/dbraw/zinc/41/30/07/351413007.db2.gz QEXQWMRWRNCZHQ-UHFFFAOYSA-N 2 2 247.342 1.961 20 30 BDEDLP C=CC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000079496524 166355367 /nfs/dbraw/zinc/35/53/67/166355367.db2.gz KBLKLKWXFTYELH-JTQLQIEISA-N 2 2 225.361 1.281 20 30 BDEDLP CC#CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334209917 352806838 /nfs/dbraw/zinc/80/68/38/352806838.db2.gz KUDOCXADKDHNBV-UHFFFAOYSA-N 2 2 206.333 1.570 20 30 BDEDLP CC#CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334209917 352806841 /nfs/dbraw/zinc/80/68/41/352806841.db2.gz KUDOCXADKDHNBV-UHFFFAOYSA-N 2 2 206.333 1.570 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC#N ZINC000336758975 353168744 /nfs/dbraw/zinc/16/87/44/353168744.db2.gz LBSUOGWNZCWBOI-PWSUYJOCSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC#N ZINC000336758975 353168746 /nfs/dbraw/zinc/16/87/46/353168746.db2.gz LBSUOGWNZCWBOI-PWSUYJOCSA-N 2 2 207.321 1.362 20 30 BDEDLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336774359 353422097 /nfs/dbraw/zinc/42/20/97/353422097.db2.gz ZRUSZXIRGDHWCF-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP C#CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285726549 353541271 /nfs/dbraw/zinc/54/12/71/353541271.db2.gz QMBNONVAJCOQFC-UHFFFAOYSA-N 2 2 220.316 1.667 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285726549 353541274 /nfs/dbraw/zinc/54/12/74/353541274.db2.gz QMBNONVAJCOQFC-UHFFFAOYSA-N 2 2 220.316 1.667 20 30 BDEDLP C#CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285726549 353541277 /nfs/dbraw/zinc/54/12/77/353541277.db2.gz QMBNONVAJCOQFC-UHFFFAOYSA-N 2 2 220.316 1.667 20 30 BDEDLP C#CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285726549 353541280 /nfs/dbraw/zinc/54/12/80/353541280.db2.gz QMBNONVAJCOQFC-UHFFFAOYSA-N 2 2 220.316 1.667 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000294944120 353794010 /nfs/dbraw/zinc/79/40/10/353794010.db2.gz IDKVVRNZKCHHKM-LBPRGKRZSA-N 2 2 235.331 1.589 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000294944120 353794012 /nfs/dbraw/zinc/79/40/12/353794012.db2.gz IDKVVRNZKCHHKM-LBPRGKRZSA-N 2 2 235.331 1.589 20 30 BDEDLP C=CCC[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449694041 202001712 /nfs/dbraw/zinc/00/17/12/202001712.db2.gz AJFABQWVUTTWIL-GFCCVEGCSA-N 2 2 245.326 1.751 20 30 BDEDLP CC#CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334678286 354422668 /nfs/dbraw/zinc/42/26/68/354422668.db2.gz HMWQOTOPKROPPG-AWEZNQCLSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334678286 354422672 /nfs/dbraw/zinc/42/26/72/354422672.db2.gz HMWQOTOPKROPPG-AWEZNQCLSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CCN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334678286 354422675 /nfs/dbraw/zinc/42/26/75/354422675.db2.gz HMWQOTOPKROPPG-AWEZNQCLSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CCN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334678286 354422680 /nfs/dbraw/zinc/42/26/80/354422680.db2.gz HMWQOTOPKROPPG-AWEZNQCLSA-N 2 2 249.402 1.110 20 30 BDEDLP N#Cc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020360999 181138192 /nfs/dbraw/zinc/13/81/92/181138192.db2.gz XJUDTIGDJXHUGV-UHFFFAOYSA-N 2 2 240.310 1.935 20 30 BDEDLP C=CC[N@@H+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000234682888 363426367 /nfs/dbraw/zinc/42/63/67/363426367.db2.gz GAHSYOHHKYHSQD-LBPRGKRZSA-N 2 2 214.353 1.494 20 30 BDEDLP C=CC[N@H+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000234682888 363426374 /nfs/dbraw/zinc/42/63/74/363426374.db2.gz GAHSYOHHKYHSQD-LBPRGKRZSA-N 2 2 214.353 1.494 20 30 BDEDLP C[NH+](C)C1CC([NH2+]Cc2cc(C#N)cs2)C1 ZINC000578143188 366323580 /nfs/dbraw/zinc/32/35/80/366323580.db2.gz FOUYJKGKGGFYGI-UHFFFAOYSA-N 2 2 235.356 1.802 20 30 BDEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000223524353 356667790 /nfs/dbraw/zinc/66/77/90/356667790.db2.gz CWJZZPPLLQDVGR-CHWSQXEVSA-N 2 2 245.301 1.349 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120585712 134229900 /nfs/dbraw/zinc/22/99/00/134229900.db2.gz ISQHHKWPBGMULD-QWHCGFSZSA-N 2 2 238.375 1.794 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120585712 134229901 /nfs/dbraw/zinc/22/99/01/134229901.db2.gz ISQHHKWPBGMULD-QWHCGFSZSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)C2CC2)CC1 ZINC000177914350 134301746 /nfs/dbraw/zinc/30/17/46/134301746.db2.gz CSVZZBSQIMWORA-AWEZNQCLSA-N 2 2 238.375 1.651 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000579344796 366763437 /nfs/dbraw/zinc/76/34/37/366763437.db2.gz MUDNXJJQWLJXDB-VXGBXAGGSA-N 2 2 220.320 1.114 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000579344796 366763440 /nfs/dbraw/zinc/76/34/40/366763440.db2.gz MUDNXJJQWLJXDB-VXGBXAGGSA-N 2 2 220.320 1.114 20 30 BDEDLP C[N@H+](CCn1cc[nH+]c1)CC(C)(C)C#N ZINC000433304604 201177993 /nfs/dbraw/zinc/17/79/93/201177993.db2.gz NNNJLCSFNYPTLW-UHFFFAOYSA-N 2 2 206.293 1.365 20 30 BDEDLP C[N@@H+](CCn1cc[nH+]c1)CC(C)(C)C#N ZINC000433304604 201177995 /nfs/dbraw/zinc/17/79/95/201177995.db2.gz NNNJLCSFNYPTLW-UHFFFAOYSA-N 2 2 206.293 1.365 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nccs1 ZINC000295070490 364778453 /nfs/dbraw/zinc/77/84/53/364778453.db2.gz RZWRCZTTXMDTIF-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nccs1 ZINC000295070490 364778460 /nfs/dbraw/zinc/77/84/60/364778460.db2.gz RZWRCZTTXMDTIF-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000336686805 365355381 /nfs/dbraw/zinc/35/53/81/365355381.db2.gz TZECWDQTUVBYMR-NEPJUHHUSA-N 2 2 218.304 1.555 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000581436833 367471433 /nfs/dbraw/zinc/47/14/33/367471433.db2.gz CAFJWOIYWUHZEE-RYUDHWBXSA-N 2 2 232.331 1.902 20 30 BDEDLP C[C@@H](CCC#N)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000581436833 367471436 /nfs/dbraw/zinc/47/14/36/367471436.db2.gz CAFJWOIYWUHZEE-RYUDHWBXSA-N 2 2 232.331 1.902 20 30 BDEDLP C[C@@H](C#N)C[NH+](C)C/C=C/C[N@@H+](C)C[C@@H](C)C#N ZINC000066471082 368649632 /nfs/dbraw/zinc/64/96/32/368649632.db2.gz OCWHUVGUIZYQGE-BEVHLOIGSA-N 2 2 248.374 1.726 20 30 BDEDLP C[C@@H](C#N)C[NH+](C)C/C=C/C[N@H+](C)C[C@@H](C)C#N ZINC000066471082 368649638 /nfs/dbraw/zinc/64/96/38/368649638.db2.gz OCWHUVGUIZYQGE-BEVHLOIGSA-N 2 2 248.374 1.726 20 30 BDEDLP CCc1ccc([C@H](CNC(N)=[NH2+])[NH+](C)C)cc1 ZINC000073757067 368814614 /nfs/dbraw/zinc/81/46/14/368814614.db2.gz UOWKQUVLRBYWTL-LBPRGKRZSA-N 2 2 234.347 1.125 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)o1 ZINC000600769499 369562370 /nfs/dbraw/zinc/56/23/70/369562370.db2.gz NTYWKPKIRKPAHR-CYBMUJFWSA-N 2 2 233.315 1.758 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000601330776 369620969 /nfs/dbraw/zinc/62/09/69/369620969.db2.gz XCKXWTBELJAFPA-MFKMUULPSA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000601330776 369620973 /nfs/dbraw/zinc/62/09/73/369620973.db2.gz XCKXWTBELJAFPA-MFKMUULPSA-N 2 2 215.300 1.480 20 30 BDEDLP CC[NH+](CC)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602588246 369819828 /nfs/dbraw/zinc/81/98/28/369819828.db2.gz SWVUBZFQBUOMQL-UHFFFAOYSA-N 2 2 246.358 1.775 20 30 BDEDLP N#Cc1cccc(C[NH2+]CCCn2cc[nH+]c2)n1 ZINC000602503559 369798983 /nfs/dbraw/zinc/79/89/83/369798983.db2.gz LKAQOQLAAMRXPJ-UHFFFAOYSA-N 2 2 241.298 1.330 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311057774 370383630 /nfs/dbraw/zinc/38/36/30/370383630.db2.gz HWPYEYAEXGCCNW-GJZGRUSLSA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311057774 370383633 /nfs/dbraw/zinc/38/36/33/370383633.db2.gz HWPYEYAEXGCCNW-GJZGRUSLSA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313361359 370582578 /nfs/dbraw/zinc/58/25/78/370582578.db2.gz TWGLOPRMVIXICP-CQSZACIVSA-N 2 2 245.326 1.108 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313361359 370582582 /nfs/dbraw/zinc/58/25/82/370582582.db2.gz TWGLOPRMVIXICP-CQSZACIVSA-N 2 2 245.326 1.108 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227895 371415475 /nfs/dbraw/zinc/41/54/75/371415475.db2.gz BSZWBHZDSPBTPB-FRRDWIJNSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227895 371415480 /nfs/dbraw/zinc/41/54/80/371415480.db2.gz BSZWBHZDSPBTPB-FRRDWIJNSA-N 2 2 226.364 1.243 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024877 384011239 /nfs/dbraw/zinc/01/12/39/384011239.db2.gz HNRTTWVAKMXTKH-IINYFYTJSA-N 2 2 247.317 1.785 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333042214 384203892 /nfs/dbraw/zinc/20/38/92/384203892.db2.gz FKUVLYCPTWABPE-GRYCIOLGSA-N 2 2 230.315 1.480 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000335468910 384290365 /nfs/dbraw/zinc/29/03/65/384290365.db2.gz VPPNUNGOHABYCT-NOZJJQNGSA-N 2 2 215.300 1.482 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000568168086 384446113 /nfs/dbraw/zinc/44/61/13/384446113.db2.gz WTESHYXBMYZZMU-RYUDHWBXSA-N 2 2 245.330 1.224 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)cc1)C1(C[NH3+])CCC1 ZINC000395524941 384529949 /nfs/dbraw/zinc/52/99/49/384529949.db2.gz YBRYGRAZGOMTNH-UHFFFAOYSA-N 2 2 229.327 1.871 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1(C[NH3+])CCC1 ZINC000395524941 384529953 /nfs/dbraw/zinc/52/99/53/384529953.db2.gz YBRYGRAZGOMTNH-UHFFFAOYSA-N 2 2 229.327 1.871 20 30 BDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@@H](C)O)C(C)C ZINC000644562667 384968218 /nfs/dbraw/zinc/96/82/18/384968218.db2.gz DFVLMVHGRAJTBB-KGLIPLIRSA-N 2 2 240.391 1.655 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000135495325 384973042 /nfs/dbraw/zinc/97/30/42/384973042.db2.gz RIEHUUUYQJETMJ-UHFFFAOYSA-N 2 2 232.312 1.606 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000559641013 385100965 /nfs/dbraw/zinc/10/09/65/385100965.db2.gz URGMXSJTNATWRG-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000559641013 385100969 /nfs/dbraw/zinc/10/09/69/385100969.db2.gz URGMXSJTNATWRG-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000559641013 385100975 /nfs/dbraw/zinc/10/09/75/385100975.db2.gz URGMXSJTNATWRG-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000559641013 385100977 /nfs/dbraw/zinc/10/09/77/385100977.db2.gz URGMXSJTNATWRG-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP CN(C)C(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000170906224 385455072 /nfs/dbraw/zinc/45/50/72/385455072.db2.gz ILYBMMFAEHQWMA-VIFPVBQESA-N 2 2 240.376 1.227 20 30 BDEDLP Cc1cc(NC[C@@H]2CCC[N@H+]2C)c(C#N)c[nH+]1 ZINC000399352099 386690634 /nfs/dbraw/zinc/69/06/34/386690634.db2.gz DRCWRZUCOKGHOJ-LBPRGKRZSA-N 2 2 230.315 1.190 20 30 BDEDLP Cc1cc(NC[C@@H]2CCC[N@@H+]2C)c(C#N)c[nH+]1 ZINC000399352099 386690637 /nfs/dbraw/zinc/69/06/37/386690637.db2.gz DRCWRZUCOKGHOJ-LBPRGKRZSA-N 2 2 230.315 1.190 20 30 BDEDLP CC[NH+](CC)CCNc1cc(C)[nH+]cc1C#N ZINC000399597155 387033734 /nfs/dbraw/zinc/03/37/34/387033734.db2.gz RQNPPYNNSSFQQD-UHFFFAOYSA-N 2 2 232.331 1.437 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424370499 387994203 /nfs/dbraw/zinc/99/42/03/387994203.db2.gz DKDNDTYMTBOCHI-KXNHARMFSA-N 2 2 207.321 1.266 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424370501 387994644 /nfs/dbraw/zinc/99/46/44/387994644.db2.gz DKDNDTYMTBOCHI-WRWGMCAJSA-N 2 2 207.321 1.266 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000453351090 388055939 /nfs/dbraw/zinc/05/59/39/388055939.db2.gz KMQXXFMVLMJIRP-XQQFMLRXSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000453351090 388055940 /nfs/dbraw/zinc/05/59/40/388055940.db2.gz KMQXXFMVLMJIRP-XQQFMLRXSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388379 388190840 /nfs/dbraw/zinc/19/08/40/388190840.db2.gz OYLSSULENPKVRJ-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388379 388190843 /nfs/dbraw/zinc/19/08/43/388190843.db2.gz OYLSSULENPKVRJ-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000489502504 388219914 /nfs/dbraw/zinc/21/99/14/388219914.db2.gz YSAWLEOWSPNHRE-GFCCVEGCSA-N 2 2 205.305 1.924 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000489502504 388219917 /nfs/dbraw/zinc/21/99/17/388219917.db2.gz YSAWLEOWSPNHRE-GFCCVEGCSA-N 2 2 205.305 1.924 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000489502505 388220034 /nfs/dbraw/zinc/22/00/34/388220034.db2.gz YSAWLEOWSPNHRE-LBPRGKRZSA-N 2 2 205.305 1.924 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000489502505 388220037 /nfs/dbraw/zinc/22/00/37/388220037.db2.gz YSAWLEOWSPNHRE-LBPRGKRZSA-N 2 2 205.305 1.924 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000451607067 388283801 /nfs/dbraw/zinc/28/38/01/388283801.db2.gz JXPKURCHNMPUCZ-NEPJUHHUSA-N 2 2 221.304 1.206 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000573216738 388432255 /nfs/dbraw/zinc/43/22/55/388432255.db2.gz AWSPQRXJMQSYDJ-XQQFMLRXSA-N 2 2 244.342 1.902 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000573216738 388432257 /nfs/dbraw/zinc/43/22/57/388432257.db2.gz AWSPQRXJMQSYDJ-XQQFMLRXSA-N 2 2 244.342 1.902 20 30 BDEDLP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423198889 388688045 /nfs/dbraw/zinc/68/80/45/388688045.db2.gz INGZOAKZQSQTRU-JTQLQIEISA-N 2 2 235.306 1.957 20 30 BDEDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423246538 388690041 /nfs/dbraw/zinc/69/00/41/388690041.db2.gz NSNZUKPEKZJLAK-SNVBAGLBSA-N 2 2 235.306 1.957 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565158643 388919179 /nfs/dbraw/zinc/91/91/79/388919179.db2.gz UKWPISXZEVACCF-LBPRGKRZSA-N 2 2 246.358 1.977 20 30 BDEDLP C[C@@H](C#N)C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565158643 388919177 /nfs/dbraw/zinc/91/91/77/388919177.db2.gz UKWPISXZEVACCF-LBPRGKRZSA-N 2 2 246.358 1.977 20 30 BDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000333467400 134109934 /nfs/dbraw/zinc/10/99/34/134109934.db2.gz HRGNIEVQEQOGNJ-RVMXOQNASA-N 2 2 237.347 1.035 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000361466980 134205350 /nfs/dbraw/zinc/20/53/50/134205350.db2.gz SILHDSCPGNSIPS-JHJVBQTASA-N 2 2 233.359 1.895 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000361466980 134205351 /nfs/dbraw/zinc/20/53/51/134205351.db2.gz SILHDSCPGNSIPS-JHJVBQTASA-N 2 2 233.359 1.895 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252964801 135118313 /nfs/dbraw/zinc/11/83/13/135118313.db2.gz RHXJOOPYQILBFC-TUAOUCFPSA-N 2 2 212.337 1.308 20 30 BDEDLP CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000268569070 135159745 /nfs/dbraw/zinc/15/97/45/135159745.db2.gz JKGWRCXCAXXKNV-UHFFFAOYSA-N 2 2 207.277 1.015 20 30 BDEDLP C[C@H](CC#N)[N@H+](C)CCc1c[nH+]cn1C ZINC000347742900 136010514 /nfs/dbraw/zinc/01/05/14/136010514.db2.gz DQRYNFLBSGIXMF-SNVBAGLBSA-N 2 2 206.293 1.197 20 30 BDEDLP C[C@H](CC#N)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347742900 136010515 /nfs/dbraw/zinc/01/05/15/136010515.db2.gz DQRYNFLBSGIXMF-SNVBAGLBSA-N 2 2 206.293 1.197 20 30 BDEDLP Cn1cc(C[NH2+]CCCn2cc[nH+]c2)cc1C#N ZINC000189580449 397798249 /nfs/dbraw/zinc/79/82/49/397798249.db2.gz XSSBTEXXWYXDMF-UHFFFAOYSA-N 2 2 243.314 1.273 20 30 BDEDLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC#N)C1 ZINC000562991113 397803871 /nfs/dbraw/zinc/80/38/71/397803871.db2.gz KWKQFSOHNVLZEH-LBPRGKRZSA-N 2 2 209.337 1.468 20 30 BDEDLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC#N)C1 ZINC000562991113 397803873 /nfs/dbraw/zinc/80/38/73/397803873.db2.gz KWKQFSOHNVLZEH-LBPRGKRZSA-N 2 2 209.337 1.468 20 30 BDEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+](CC)CCO)C1 ZINC000651764298 411142426 /nfs/dbraw/zinc/14/24/26/411142426.db2.gz PREAMOJCACIJBB-ZIAGYGMSSA-N 2 2 240.391 1.635 20 30 BDEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](CC)CCO)C1 ZINC000651764298 411142427 /nfs/dbraw/zinc/14/24/27/411142427.db2.gz PREAMOJCACIJBB-ZIAGYGMSSA-N 2 2 240.391 1.635 20 30 BDEDLP C=CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660691194 411617958 /nfs/dbraw/zinc/61/79/58/411617958.db2.gz BBAFGVCCMUZGLQ-UHFFFAOYSA-N 2 2 226.364 1.245 20 30 BDEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)COC ZINC000661238954 411738764 /nfs/dbraw/zinc/73/87/64/411738764.db2.gz ARBJUUPMPONEPT-GFCCVEGCSA-N 2 2 237.347 1.486 20 30 BDEDLP C=CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)COC ZINC000661238954 411738769 /nfs/dbraw/zinc/73/87/69/411738769.db2.gz ARBJUUPMPONEPT-GFCCVEGCSA-N 2 2 237.347 1.486 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000571127977 323136239 /nfs/dbraw/zinc/13/62/39/323136239.db2.gz GJGOBAMUQSJXON-CHWSQXEVSA-N 2 2 232.331 1.945 20 30 BDEDLP CC#CC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003115 325325716 /nfs/dbraw/zinc/32/57/16/325325716.db2.gz GUYDDXQGPJILEN-ZDUSSCGKSA-N 2 2 208.349 1.673 20 30 BDEDLP CC#CC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003115 325325718 /nfs/dbraw/zinc/32/57/18/325325718.db2.gz GUYDDXQGPJILEN-ZDUSSCGKSA-N 2 2 208.349 1.673 20 30 BDEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000567707281 326248931 /nfs/dbraw/zinc/24/89/31/326248931.db2.gz PCWAAISYPOGXKC-KBPBESRZSA-N 2 2 248.374 1.894 20 30 BDEDLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000567707281 326248932 /nfs/dbraw/zinc/24/89/32/326248932.db2.gz PCWAAISYPOGXKC-KBPBESRZSA-N 2 2 248.374 1.894 20 30 BDEDLP COCC#CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000680073997 487533244 /nfs/dbraw/zinc/53/32/44/487533244.db2.gz LWPAQFKAMRQHLT-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP COCC#CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000680073997 487533251 /nfs/dbraw/zinc/53/32/51/487533251.db2.gz LWPAQFKAMRQHLT-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP COCC#CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000677818718 487512954 /nfs/dbraw/zinc/51/29/54/487512954.db2.gz GVOINZUAVXDXCE-UHFFFAOYSA-N 2 2 233.315 1.239 20 30 BDEDLP COCC#CC[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000677818718 487512956 /nfs/dbraw/zinc/51/29/56/487512956.db2.gz GVOINZUAVXDXCE-UHFFFAOYSA-N 2 2 233.315 1.239 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228000 488135123 /nfs/dbraw/zinc/13/51/23/488135123.db2.gz LSWOWPDYGOTZJR-CYBMUJFWSA-N 2 2 224.348 1.052 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228000 488135129 /nfs/dbraw/zinc/13/51/29/488135129.db2.gz LSWOWPDYGOTZJR-CYBMUJFWSA-N 2 2 224.348 1.052 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000678721637 488278524 /nfs/dbraw/zinc/27/85/24/488278524.db2.gz JTJGUHSNGMSBQL-LBPRGKRZSA-N 2 2 223.320 1.142 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000678721637 488278525 /nfs/dbraw/zinc/27/85/25/488278525.db2.gz JTJGUHSNGMSBQL-LBPRGKRZSA-N 2 2 223.320 1.142 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000679341035 488342262 /nfs/dbraw/zinc/34/22/62/488342262.db2.gz ITWANBROQSIVNC-ZDUSSCGKSA-N 2 2 240.391 1.778 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC#N)[C@H]2C1 ZINC000361107542 536463236 /nfs/dbraw/zinc/46/32/36/536463236.db2.gz QAXBLXHQDSLMTH-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCCC#N)[C@H]2C1 ZINC000361107542 536463239 /nfs/dbraw/zinc/46/32/39/536463239.db2.gz QAXBLXHQDSLMTH-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCCC#N)[C@H]2C1 ZINC000361107542 536463241 /nfs/dbraw/zinc/46/32/41/536463241.db2.gz QAXBLXHQDSLMTH-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC#N)[C@H]2C1 ZINC000361107542 536463243 /nfs/dbraw/zinc/46/32/43/536463243.db2.gz QAXBLXHQDSLMTH-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000854233037 588781293 /nfs/dbraw/zinc/78/12/93/588781293.db2.gz WRSZSPSLSFCGMR-STQMWFEESA-N 2 2 246.354 1.957 20 30 BDEDLP CC(C)c1nc(NCC#CC[NH+](C)C)cc[nH+]1 ZINC000894875301 583541165 /nfs/dbraw/zinc/54/11/65/583541165.db2.gz ATGXNSKGBAELQK-UHFFFAOYSA-N 2 2 232.331 1.577 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccnn1C ZINC000901219495 584402467 /nfs/dbraw/zinc/40/24/67/584402467.db2.gz BLZHXUXGCAHKSF-UHFFFAOYSA-N 2 2 244.302 1.327 20 30 BDEDLP C[NH+]1CCC(C=[NH+]n2nnc3c2CCCC3)CC1 ZINC000901329608 584424491 /nfs/dbraw/zinc/42/44/91/584424491.db2.gz YOSQPISZPFADFY-UHFFFAOYSA-N 2 2 247.346 1.333 20 30 BDEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000902447331 584604979 /nfs/dbraw/zinc/60/49/79/584604979.db2.gz SPDFPSFPEFYWHT-RKDXNWHRSA-N 2 2 236.344 1.374 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC[C@@H]1CCOC1 ZINC000788038274 584932709 /nfs/dbraw/zinc/93/27/09/584932709.db2.gz FFBAINBYUSYZRR-LLVKDONJSA-N 2 2 249.314 1.535 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000766903102 585510936 /nfs/dbraw/zinc/51/09/36/585510936.db2.gz PTTSBEZZRKNJMB-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP C#CCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000766903102 585510937 /nfs/dbraw/zinc/51/09/37/585510937.db2.gz PTTSBEZZRKNJMB-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP C(=NNc1cc[nH+]cc1)c1cccc2[nH+]ccn21 ZINC000779809269 585765810 /nfs/dbraw/zinc/76/58/10/585765810.db2.gz VVVQXWKHKSPQCT-UHFFFAOYSA-N 2 2 237.266 1.597 20 30 BDEDLP COCCN(C)[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000794963034 586058200 /nfs/dbraw/zinc/05/82/00/586058200.db2.gz HRVSPOQRFXXCJC-UHFFFAOYSA-N 2 2 236.319 1.060 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cncnc1 ZINC000794977162 586060539 /nfs/dbraw/zinc/06/05/39/586060539.db2.gz ZAPCUNFQTPJDIB-UHFFFAOYSA-N 2 2 242.286 1.384 20 30 BDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000817944661 586846601 /nfs/dbraw/zinc/84/66/01/586846601.db2.gz JCAKIMUYOYUTBD-JSGCOSHPSA-N 2 2 244.338 1.711 20 30 BDEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[NH2+]CC)cc1 ZINC000817952844 586848763 /nfs/dbraw/zinc/84/87/63/586848763.db2.gz VFILWGRQINGOGL-ZDUSSCGKSA-N 2 2 246.354 1.959 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1C(C)C)[C@@H]1CCCO1 ZINC000818203934 586879090 /nfs/dbraw/zinc/87/90/90/586879090.db2.gz NHBVWVLUYDXRRN-KGLIPLIRSA-N 2 2 247.342 1.734 20 30 BDEDLP N#CCC[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000818947229 586916553 /nfs/dbraw/zinc/91/65/53/586916553.db2.gz LMBIQKSYIFUPIG-UHFFFAOYSA-N 2 2 227.271 1.271 20 30 BDEDLP C#CC[N@@H+](CC)Cc1c[nH+]c2n1CCC2 ZINC000824621260 587279902 /nfs/dbraw/zinc/27/99/02/587279902.db2.gz KUQQSKPWWKEOAX-UHFFFAOYSA-N 2 2 203.289 1.284 20 30 BDEDLP C#CC[N@H+](CC)Cc1c[nH+]c2n1CCC2 ZINC000824621260 587279904 /nfs/dbraw/zinc/27/99/04/587279904.db2.gz KUQQSKPWWKEOAX-UHFFFAOYSA-N 2 2 203.289 1.284 20 30 BDEDLP C#C[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCCO1 ZINC000828307181 587433632 /nfs/dbraw/zinc/43/36/32/587433632.db2.gz LRPDMJPCJIQISM-GJZGRUSLSA-N 2 2 244.338 1.703 20 30 BDEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848910593 588419084 /nfs/dbraw/zinc/41/90/84/588419084.db2.gz NLIANCTYNAGYQE-OCCSQVGLSA-N 2 2 236.359 1.241 20 30 BDEDLP C#CCOCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000851858361 588635997 /nfs/dbraw/zinc/63/59/97/588635997.db2.gz MHYWCGUWIQQTKB-KBPBESRZSA-N 2 2 247.342 1.416 20 30 BDEDLP C#CCOCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000851858361 588635998 /nfs/dbraw/zinc/63/59/98/588635998.db2.gz MHYWCGUWIQQTKB-KBPBESRZSA-N 2 2 247.342 1.416 20 30 BDEDLP CCC(=[NH+]NC1=[NH+]C[C@H](C)N1)c1ccc(N)cc1 ZINC000863105237 589256456 /nfs/dbraw/zinc/25/64/56/589256456.db2.gz KYISPMNDKYCESV-VIFPVBQESA-N 2 2 245.330 1.320 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000863642069 589306542 /nfs/dbraw/zinc/30/65/42/589306542.db2.gz PYLHLJKEBFSFRH-JTQLQIEISA-N 2 2 219.288 1.322 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000863642069 589306544 /nfs/dbraw/zinc/30/65/44/589306544.db2.gz PYLHLJKEBFSFRH-JTQLQIEISA-N 2 2 219.288 1.322 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000863641820 589306593 /nfs/dbraw/zinc/30/65/93/589306593.db2.gz LAEBQQRTGKKBAA-AWEZNQCLSA-N 2 2 245.326 1.727 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000863641820 589306595 /nfs/dbraw/zinc/30/65/95/589306595.db2.gz LAEBQQRTGKKBAA-AWEZNQCLSA-N 2 2 245.326 1.727 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)o1 ZINC000872146733 589884986 /nfs/dbraw/zinc/88/49/86/589884986.db2.gz WEHPDOITDJWXMO-FZMZJTMJSA-N 2 2 245.326 1.725 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)o1 ZINC000872146733 589884988 /nfs/dbraw/zinc/88/49/88/589884988.db2.gz WEHPDOITDJWXMO-FZMZJTMJSA-N 2 2 245.326 1.725 20 30 BDEDLP C=C(C)C[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000883400008 591646298 /nfs/dbraw/zinc/64/62/98/591646298.db2.gz BGQJCEGNTNKEBH-LBPRGKRZSA-N 2 2 245.326 1.751 20 30 BDEDLP C#CCC1([NH2+]Cc2c[nH+]c(C)n2C)CCOCC1 ZINC000886379034 592221450 /nfs/dbraw/zinc/22/14/50/592221450.db2.gz KOPQGYIUVMQOPH-UHFFFAOYSA-N 2 2 247.342 1.391 20 30 BDEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000925815706 635380719 /nfs/dbraw/zinc/38/07/19/635380719.db2.gz YSJZKQPYDYWFMH-OLZOCXBDSA-N 2 2 233.290 1.667 20 30 BDEDLP COc1cc(C[NH2+]CC2([NH3+])CC2)ccc1C#N ZINC000904444871 637413612 /nfs/dbraw/zinc/41/36/12/637413612.db2.gz UPYZZGSOIVUQTA-UHFFFAOYSA-N 2 2 231.299 1.148 20 30 BDEDLP C=C(Cl)C[C@H]([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000905331714 637780850 /nfs/dbraw/zinc/78/08/50/637780850.db2.gz QTJOMEYDXJIDRJ-LURJTMIESA-N 2 2 228.683 1.160 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931311321 640145816 /nfs/dbraw/zinc/14/58/16/640145816.db2.gz LZPREMUHIVXNPO-BFHYXJOUSA-N 2 2 238.375 1.197 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292872 644330387 /nfs/dbraw/zinc/33/03/87/644330387.db2.gz KQWVUKIZOCUCRN-AGIUHOORSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292872 644330390 /nfs/dbraw/zinc/33/03/90/644330390.db2.gz KQWVUKIZOCUCRN-AGIUHOORSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+](CC[NH2+]C)C(C)C ZINC000923433158 644426716 /nfs/dbraw/zinc/42/67/16/644426716.db2.gz ONKDOBVYQUSEBU-LBPRGKRZSA-N 2 2 214.353 1.243 20 30 BDEDLP C=CCC[C@H](O)C[N@H+](CC[NH2+]C)C(C)C ZINC000923433158 644426722 /nfs/dbraw/zinc/42/67/22/644426722.db2.gz ONKDOBVYQUSEBU-LBPRGKRZSA-N 2 2 214.353 1.243 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000923515821 644479366 /nfs/dbraw/zinc/47/93/66/644479366.db2.gz NKOVZMDCHWZXCQ-WDEREUQCSA-N 2 2 231.299 1.193 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000923515821 644479370 /nfs/dbraw/zinc/47/93/70/644479370.db2.gz NKOVZMDCHWZXCQ-WDEREUQCSA-N 2 2 231.299 1.193 20 30 BDEDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000925702882 646427634 /nfs/dbraw/zinc/42/76/34/646427634.db2.gz FQUXTIDYHDGQHF-WFASDCNBSA-N 2 2 243.354 1.983 20 30 BDEDLP CCCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925722301 646448673 /nfs/dbraw/zinc/44/86/73/646448673.db2.gz VECZRPGFUKIUQZ-GFCCVEGCSA-N 2 2 214.353 1.535 20 30 BDEDLP C=CCCC(C)(C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925725373 646449981 /nfs/dbraw/zinc/44/99/81/646449981.db2.gz STOJKANBCXTCBM-GFCCVEGCSA-N 2 2 226.364 1.557 20 30 BDEDLP C[NH+]1C[C@@]2(C)C[NH+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000706258325 712142894 /nfs/dbraw/zinc/14/28/94/712142894.db2.gz WYWIKTMHZLULHY-KBPBESRZSA-N 2 2 247.386 1.954 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204675602 961407286 /nfs/dbraw/zinc/40/72/86/961407286.db2.gz SZTNWZGRGHHEIR-UHFFFAOYSA-N 2 2 214.312 1.463 20 30 BDEDLP C#Cc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204675602 961407305 /nfs/dbraw/zinc/40/73/05/961407305.db2.gz SZTNWZGRGHHEIR-UHFFFAOYSA-N 2 2 214.312 1.463 20 30 BDEDLP C[C@@H](CC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC000697860299 964571098 /nfs/dbraw/zinc/57/10/98/964571098.db2.gz VHNYUIGKZIJHOP-AWEZNQCLSA-N 2 2 230.355 1.968 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H](C#N)C2)CC1 ZINC001254526722 969717450 /nfs/dbraw/zinc/71/74/50/969717450.db2.gz UBRVLZWHPJJUOD-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](C#N)C2)CC1 ZINC001254526722 969717455 /nfs/dbraw/zinc/71/74/55/969717455.db2.gz UBRVLZWHPJJUOD-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001254526722 969717458 /nfs/dbraw/zinc/71/74/58/969717458.db2.gz UBRVLZWHPJJUOD-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001254526722 969717463 /nfs/dbraw/zinc/71/74/63/969717463.db2.gz UBRVLZWHPJJUOD-RYUDHWBXSA-N 2 2 207.321 1.316 20 30 BDEDLP C#CCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254834865 969793661 /nfs/dbraw/zinc/79/36/61/969793661.db2.gz ZCDPNVPMTWTCRY-CYBMUJFWSA-N 2 2 206.333 1.474 20 30 BDEDLP CC[C@H]([NH3+])C[N@H+](C)CCc1ccc(C#N)cc1 ZINC001236860464 979763054 /nfs/dbraw/zinc/76/30/54/979763054.db2.gz PPUCQOSNBKRDDT-AWEZNQCLSA-N 2 2 231.343 1.770 20 30 BDEDLP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001236860464 979763060 /nfs/dbraw/zinc/76/30/60/979763060.db2.gz PPUCQOSNBKRDDT-AWEZNQCLSA-N 2 2 231.343 1.770 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[NH2+]1 ZINC001246091899 972145577 /nfs/dbraw/zinc/14/55/77/972145577.db2.gz LSXGHSFOOUBNBW-WDEREUQCSA-N 2 2 207.321 1.410 20 30 BDEDLP C=C[C@H](COC)[NH2+]Cc1c[nH+]c(C)n1C ZINC001327195197 972489759 /nfs/dbraw/zinc/48/97/59/972489759.db2.gz VZORKGIBIAIJGH-SNVBAGLBSA-N 2 2 209.293 1.019 20 30 BDEDLP N#Cc1cc[nH]c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632693 962141205 /nfs/dbraw/zinc/14/12/05/962141205.db2.gz NTPHFOUFDKSCHR-NSHDSACASA-N 2 2 232.331 1.447 20 30 BDEDLP N#Cc1cc[nH]c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632693 962141228 /nfs/dbraw/zinc/14/12/28/962141228.db2.gz NTPHFOUFDKSCHR-NSHDSACASA-N 2 2 232.331 1.447 20 30 BDEDLP CC[C@H](CC#N)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000389619973 962402535 /nfs/dbraw/zinc/40/25/35/962402535.db2.gz IGXKXHYDRSHPKJ-VXGBXAGGSA-N 2 2 209.337 1.739 20 30 BDEDLP CC[C@H](CC#N)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000389619973 962402545 /nfs/dbraw/zinc/40/25/45/962402545.db2.gz IGXKXHYDRSHPKJ-VXGBXAGGSA-N 2 2 209.337 1.739 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204790464 963575239 /nfs/dbraw/zinc/57/52/39/963575239.db2.gz JMUBLDUDRDRPFI-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204790464 963575250 /nfs/dbraw/zinc/57/52/50/963575250.db2.gz JMUBLDUDRDRPFI-CQSZACIVSA-N 2 2 214.312 1.591 20 30 BDEDLP C=CCCCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001159262885 964042200 /nfs/dbraw/zinc/04/22/00/964042200.db2.gz ZVZHQFOSLFLCAP-UHFFFAOYSA-N 2 2 246.358 1.869 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205116588 965865657 /nfs/dbraw/zinc/86/56/57/965865657.db2.gz DIDNFLYXTYHBBZ-LBPRGKRZSA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205116588 965865663 /nfs/dbraw/zinc/86/56/63/965865663.db2.gz DIDNFLYXTYHBBZ-LBPRGKRZSA-N 2 2 230.315 1.266 20 30 BDEDLP N#Cc1cccc(CCC[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001236170672 966289337 /nfs/dbraw/zinc/28/93/37/966289337.db2.gz YKXXBLKERFRKEJ-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP N#Cc1cccc(CCC[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001236170672 966289350 /nfs/dbraw/zinc/28/93/50/966289350.db2.gz YKXXBLKERFRKEJ-AWEZNQCLSA-N 2 2 229.327 1.524 20 30 BDEDLP N#C[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207439653 968775478 /nfs/dbraw/zinc/77/54/78/968775478.db2.gz XPTMTNRSZSCFCL-GFCCVEGCSA-N 2 2 207.321 1.364 20 30 BDEDLP N#C[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207439653 968775485 /nfs/dbraw/zinc/77/54/85/968775485.db2.gz XPTMTNRSZSCFCL-GFCCVEGCSA-N 2 2 207.321 1.364 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001169124402 969418719 /nfs/dbraw/zinc/41/87/19/969418719.db2.gz RAOPCQBTEUTKOG-CLLJXQQHSA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001169124402 969418722 /nfs/dbraw/zinc/41/87/22/969418722.db2.gz RAOPCQBTEUTKOG-CLLJXQQHSA-N 2 2 245.326 1.866 20 30 BDEDLP N#CC[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730809 969585286 /nfs/dbraw/zinc/58/52/86/969585286.db2.gz JKLKOKQMSRVKDL-LLVKDONJSA-N 2 2 230.315 1.620 20 30 BDEDLP N#CC[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730809 969585290 /nfs/dbraw/zinc/58/52/90/969585290.db2.gz JKLKOKQMSRVKDL-LLVKDONJSA-N 2 2 230.315 1.620 20 30 BDEDLP N#CCc1ccc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001169558706 969754826 /nfs/dbraw/zinc/75/48/26/969754826.db2.gz OGDOSBDOMJCZHL-GFCCVEGCSA-N 2 2 230.315 1.702 20 30 BDEDLP C#CCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254834881 969793608 /nfs/dbraw/zinc/79/36/08/969793608.db2.gz ZCDPNVPMTWTCRY-ZDUSSCGKSA-N 2 2 206.333 1.474 20 30 BDEDLP C#CCCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254846250 969804545 /nfs/dbraw/zinc/80/45/45/969804545.db2.gz URQIPXUCJZLVKQ-AWEZNQCLSA-N 2 2 220.360 1.864 20 30 BDEDLP C[C@@H]([NH3+])[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001327857275 972759800 /nfs/dbraw/zinc/75/98/00/972759800.db2.gz ZQWKDROYAVPKSQ-RMNLLRHXSA-N 2 2 243.354 1.936 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172294692 974564675 /nfs/dbraw/zinc/56/46/75/974564675.db2.gz KFAOYZPREDRXPQ-WFASDCNBSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172294692 974564691 /nfs/dbraw/zinc/56/46/91/974564691.db2.gz KFAOYZPREDRXPQ-WFASDCNBSA-N 2 2 243.354 1.912 20 30 BDEDLP CC1(C#N)CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001173585078 975427660 /nfs/dbraw/zinc/42/76/60/975427660.db2.gz ZEFMGWZWJYMHOZ-OTTFEQOBSA-N 2 2 237.347 1.118 20 30 BDEDLP CC1(C#N)CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001173585078 975427682 /nfs/dbraw/zinc/42/76/82/975427682.db2.gz ZEFMGWZWJYMHOZ-OTTFEQOBSA-N 2 2 237.347 1.118 20 30 BDEDLP N#CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235988329 979265781 /nfs/dbraw/zinc/26/57/81/979265781.db2.gz GUVSWMOZAJUZMC-LSDHHAIUSA-N 2 2 241.338 1.676 20 30 BDEDLP N#CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235988329 979265785 /nfs/dbraw/zinc/26/57/85/979265785.db2.gz GUVSWMOZAJUZMC-LSDHHAIUSA-N 2 2 241.338 1.676 20 30 BDEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C#N)cc1O ZINC001236885295 979784486 /nfs/dbraw/zinc/78/44/86/979784486.db2.gz ZDIZEUAQVGYWSN-LBPRGKRZSA-N 2 2 233.315 1.433 20 30 BDEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001236885295 979784498 /nfs/dbraw/zinc/78/44/98/979784498.db2.gz ZDIZEUAQVGYWSN-LBPRGKRZSA-N 2 2 233.315 1.433 20 30 BDEDLP C[C@@H]1CC[N@H+](Cc2ccccc2CC#N)C[C@@H]1[NH3+] ZINC001205888724 983084944 /nfs/dbraw/zinc/08/49/44/983084944.db2.gz IOPDPCLXESUPCI-DOMZBBRYSA-N 2 2 243.354 1.922 20 30 BDEDLP C[C@@H]1CC[N@@H+](Cc2ccccc2CC#N)C[C@@H]1[NH3+] ZINC001205888724 983084953 /nfs/dbraw/zinc/08/49/53/983084953.db2.gz IOPDPCLXESUPCI-DOMZBBRYSA-N 2 2 243.354 1.922 20 30 BDEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+](C)C ZINC001356594755 983634086 /nfs/dbraw/zinc/63/40/86/983634086.db2.gz GAONXUSCLCTHCG-NWDGAFQWSA-N 2 2 222.336 1.217 20 30 BDEDLP Cc1[nH+]c2c(n1[C@@H]1CC[C@@H](C#N)C1)CC[NH2+]CC2 ZINC001254657230 986706365 /nfs/dbraw/zinc/70/63/65/986706365.db2.gz BPMHDVYMNJXCQI-VXGBXAGGSA-N 2 2 244.342 1.745 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246017811 987302833 /nfs/dbraw/zinc/30/28/33/987302833.db2.gz CLXFBLBSYJMCJH-ZIAGYGMSSA-N 2 2 234.343 1.603 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246098108 987414676 /nfs/dbraw/zinc/41/46/76/987414676.db2.gz JFAVXJHVCBLNMB-IJLUTSLNSA-N 2 2 209.337 1.514 20 30 BDEDLP COc1cc(C#N)ccc1C[NH+]1CCC([NH3+])CC1 ZINC001574012731 992794602 /nfs/dbraw/zinc/79/46/02/992794602.db2.gz QNIZKLMVKUXQOP-UHFFFAOYSA-N 2 2 245.326 1.490 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001576381385 993284946 /nfs/dbraw/zinc/28/49/46/993284946.db2.gz AEJGPSOSSYQVPM-MNOVXSKESA-N 2 2 237.347 1.022 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308675914 136208048 /nfs/dbraw/zinc/20/80/48/136208048.db2.gz WDTOLFMAPMZICT-GHMZBOCLSA-N 2 2 214.378 1.445 20 30 BDEDLP C=CCSCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308675914 136208049 /nfs/dbraw/zinc/20/80/49/136208049.db2.gz WDTOLFMAPMZICT-GHMZBOCLSA-N 2 2 214.378 1.445 20 30 BDEDLP C=CCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625550690 398198573 /nfs/dbraw/zinc/19/85/73/398198573.db2.gz ZXWBPNCNQXCGIC-UHFFFAOYSA-N 2 2 238.375 1.749 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779284 136221553 /nfs/dbraw/zinc/22/15/53/136221553.db2.gz NUMZJWLRXSAWHW-VXGBXAGGSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779284 136221554 /nfs/dbraw/zinc/22/15/54/136221554.db2.gz NUMZJWLRXSAWHW-VXGBXAGGSA-N 2 2 221.348 1.610 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602525683 349577302 /nfs/dbraw/zinc/57/73/02/349577302.db2.gz BRAPFFHXMULVQJ-BPCQOVAHSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602525683 349577307 /nfs/dbraw/zinc/57/73/07/349577307.db2.gz BRAPFFHXMULVQJ-BPCQOVAHSA-N 2 2 221.348 1.753 20 30 BDEDLP Cc1cc[nH+]c(N2CC[NH+](CCCC#N)CC2)c1 ZINC000166372843 361850061 /nfs/dbraw/zinc/85/00/61/361850061.db2.gz ZOIRLRCCVKBJPT-UHFFFAOYSA-N 2 2 244.342 1.816 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000602595189 349643941 /nfs/dbraw/zinc/64/39/41/349643941.db2.gz XFEIACLGMZBPLS-QWHCGFSZSA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000602595189 349643942 /nfs/dbraw/zinc/64/39/42/349643942.db2.gz XFEIACLGMZBPLS-QWHCGFSZSA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000602595186 349644075 /nfs/dbraw/zinc/64/40/75/349644075.db2.gz XFEIACLGMZBPLS-OLZOCXBDSA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000602595186 349644076 /nfs/dbraw/zinc/64/40/76/349644076.db2.gz XFEIACLGMZBPLS-OLZOCXBDSA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@H](C#N)C[N@H+](C)CCc1c[nH+]cn1C ZINC000602770964 349724847 /nfs/dbraw/zinc/72/48/47/349724847.db2.gz BAQWRECAFSXCJK-SNVBAGLBSA-N 2 2 206.293 1.054 20 30 BDEDLP C[C@H](C#N)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000602770964 349724850 /nfs/dbraw/zinc/72/48/50/349724850.db2.gz BAQWRECAFSXCJK-SNVBAGLBSA-N 2 2 206.293 1.054 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602794143 349735534 /nfs/dbraw/zinc/73/55/34/349735534.db2.gz GJJVJHZHYUMLIT-LBPRGKRZSA-N 2 2 244.342 1.903 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602794143 349735536 /nfs/dbraw/zinc/73/55/36/349735536.db2.gz GJJVJHZHYUMLIT-LBPRGKRZSA-N 2 2 244.342 1.903 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000309030686 136274734 /nfs/dbraw/zinc/27/47/34/136274734.db2.gz DMJAXKHXMOGKJM-GFCCVEGCSA-N 2 2 214.353 1.245 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000309030686 136274735 /nfs/dbraw/zinc/27/47/35/136274735.db2.gz DMJAXKHXMOGKJM-GFCCVEGCSA-N 2 2 214.353 1.245 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349339432 136342158 /nfs/dbraw/zinc/34/21/58/136342158.db2.gz CPIKYRGKVVYUPG-CZXHOFHRSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349339432 136342159 /nfs/dbraw/zinc/34/21/59/136342159.db2.gz CPIKYRGKVVYUPG-CZXHOFHRSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1C ZINC000335842527 136354593 /nfs/dbraw/zinc/35/45/93/136354593.db2.gz RJOQRCOADUKBSI-NWDGAFQWSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1C ZINC000335842527 136354594 /nfs/dbraw/zinc/35/45/94/136354594.db2.gz RJOQRCOADUKBSI-NWDGAFQWSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842527 136354595 /nfs/dbraw/zinc/35/45/95/136354595.db2.gz RJOQRCOADUKBSI-NWDGAFQWSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842527 136354596 /nfs/dbraw/zinc/35/45/96/136354596.db2.gz RJOQRCOADUKBSI-NWDGAFQWSA-N 2 2 221.348 1.705 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980533 349846173 /nfs/dbraw/zinc/84/61/73/349846173.db2.gz QYXQMLGCGYDUBT-CHWSQXEVSA-N 2 2 232.331 1.816 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980533 349846176 /nfs/dbraw/zinc/84/61/76/349846176.db2.gz QYXQMLGCGYDUBT-CHWSQXEVSA-N 2 2 232.331 1.816 20 30 BDEDLP C=CC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000625702952 344047078 /nfs/dbraw/zinc/04/70/78/344047078.db2.gz ITYWUGANHMQVRJ-LBPRGKRZSA-N 2 2 205.305 1.781 20 30 BDEDLP C=CC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000625702952 344047081 /nfs/dbraw/zinc/04/70/81/344047081.db2.gz ITYWUGANHMQVRJ-LBPRGKRZSA-N 2 2 205.305 1.781 20 30 BDEDLP C[C@@H]([NH3+])C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600750625 344368306 /nfs/dbraw/zinc/36/83/06/344368306.db2.gz MQODLVCUGMHBLS-LLVKDONJSA-N 2 2 229.327 1.458 20 30 BDEDLP C[C@@H]([NH3+])C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600750625 344368308 /nfs/dbraw/zinc/36/83/08/344368308.db2.gz MQODLVCUGMHBLS-LLVKDONJSA-N 2 2 229.327 1.458 20 30 BDEDLP CCC[NH+]1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000042210377 344445926 /nfs/dbraw/zinc/44/59/26/344445926.db2.gz NLOARVAVERGLTP-NSHDSACASA-N 2 2 209.337 1.610 20 30 BDEDLP N#CCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794787 344534704 /nfs/dbraw/zinc/53/47/04/344534704.db2.gz XVCJMZADNKUAAZ-UHFFFAOYSA-N 2 2 218.304 1.824 20 30 BDEDLP Cc1[nH+]ccn1CCCC[N@@H+](C)CCC#N ZINC000120384654 344888502 /nfs/dbraw/zinc/88/85/02/344888502.db2.gz SVOANBKSMYOOTM-UHFFFAOYSA-N 2 2 220.320 1.817 20 30 BDEDLP C=CC[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997898 345202600 /nfs/dbraw/zinc/20/26/00/345202600.db2.gz VPGYMAVHNPIPKI-PNESKVBLSA-N 2 2 206.333 1.636 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997898 345202602 /nfs/dbraw/zinc/20/26/02/345202602.db2.gz VPGYMAVHNPIPKI-PNESKVBLSA-N 2 2 206.333 1.636 20 30 BDEDLP C=CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926617 345566414 /nfs/dbraw/zinc/56/64/14/345566414.db2.gz CFNULASAOVXJOG-UHFFFAOYSA-N 2 2 220.320 1.118 20 30 BDEDLP N#CCCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000590599858 347480432 /nfs/dbraw/zinc/48/04/32/347480432.db2.gz RXBTYZAFFQCKDG-UHFFFAOYSA-N 2 2 204.277 1.393 20 30 BDEDLP N#CCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000590599858 347480434 /nfs/dbraw/zinc/48/04/34/347480434.db2.gz RXBTYZAFFQCKDG-UHFFFAOYSA-N 2 2 204.277 1.393 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000591570831 347675764 /nfs/dbraw/zinc/67/57/64/347675764.db2.gz UJBZZYRHOGKQST-OLZOCXBDSA-N 2 2 233.290 1.667 20 30 BDEDLP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000592437207 347778942 /nfs/dbraw/zinc/77/89/42/347778942.db2.gz CUWFVYYBVWJOOZ-KXNHARMFSA-N 2 2 207.321 1.266 20 30 BDEDLP CC[NH2+]CC[NH2+]Cc1cccc(C#N)c1 ZINC000592985719 347836839 /nfs/dbraw/zinc/83/68/39/347836839.db2.gz QYFKGRKEDYILMY-UHFFFAOYSA-N 2 2 203.289 1.257 20 30 BDEDLP N#CC1(C[NH2+]C2CC[NH2+]CC2)CCCCC1 ZINC000594738451 348109838 /nfs/dbraw/zinc/10/98/38/348109838.db2.gz DHBKCHXXMZLDLR-UHFFFAOYSA-N 2 2 221.348 1.802 20 30 BDEDLP N#CCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594944227 348144860 /nfs/dbraw/zinc/14/48/60/348144860.db2.gz RSGXNUYNFYDVCI-UHFFFAOYSA-N 2 2 204.277 1.223 20 30 BDEDLP N#CCSCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595494689 348262151 /nfs/dbraw/zinc/26/21/51/348262151.db2.gz LZPDXZITNYYLBO-UHFFFAOYSA-N 2 2 236.344 1.346 20 30 BDEDLP N#CCSCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595494689 348262152 /nfs/dbraw/zinc/26/21/52/348262152.db2.gz LZPDXZITNYYLBO-UHFFFAOYSA-N 2 2 236.344 1.346 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595844073 348380985 /nfs/dbraw/zinc/38/09/85/348380985.db2.gz QECLJUVFNWTXQO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595844073 348380989 /nfs/dbraw/zinc/38/09/89/348380989.db2.gz QECLJUVFNWTXQO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844073 348380992 /nfs/dbraw/zinc/38/09/92/348380992.db2.gz QECLJUVFNWTXQO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844073 348380995 /nfs/dbraw/zinc/38/09/95/348380995.db2.gz QECLJUVFNWTXQO-CHWSQXEVSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000596654935 348607655 /nfs/dbraw/zinc/60/76/55/348607655.db2.gz RPWVBVPEIGUZIC-GHMZBOCLSA-N 2 2 217.316 1.817 20 30 BDEDLP N#Cc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000598679541 349021086 /nfs/dbraw/zinc/02/10/86/349021086.db2.gz JBGKYABAQSYEBM-UHFFFAOYSA-N 2 2 241.338 1.886 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000380262259 349280775 /nfs/dbraw/zinc/28/07/75/349280775.db2.gz RYWPWTXYKISIQO-KXNHARMFSA-N 2 2 207.321 1.218 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000380262259 349280776 /nfs/dbraw/zinc/28/07/76/349280776.db2.gz RYWPWTXYKISIQO-KXNHARMFSA-N 2 2 207.321 1.218 20 30 BDEDLP N#CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131899678 191018567 /nfs/dbraw/zinc/01/85/67/191018567.db2.gz CRNBJMDOORWIBT-ZDUSSCGKSA-N 2 2 231.299 1.838 20 30 BDEDLP N#CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131899678 191018570 /nfs/dbraw/zinc/01/85/70/191018570.db2.gz CRNBJMDOORWIBT-ZDUSSCGKSA-N 2 2 231.299 1.838 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000040598651 350386141 /nfs/dbraw/zinc/38/61/41/350386141.db2.gz SDWGDOCFAJBXCP-ZDUSSCGKSA-N 2 2 243.354 1.990 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000040598651 350386143 /nfs/dbraw/zinc/38/61/43/350386143.db2.gz SDWGDOCFAJBXCP-ZDUSSCGKSA-N 2 2 243.354 1.990 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030588 350902478 /nfs/dbraw/zinc/90/24/78/350902478.db2.gz VQMKCLVYUFOFPH-VHSXEESVSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030588 350902479 /nfs/dbraw/zinc/90/24/79/350902479.db2.gz VQMKCLVYUFOFPH-VHSXEESVSA-N 2 2 202.729 1.798 20 30 BDEDLP N#CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000397870429 350982200 /nfs/dbraw/zinc/98/22/00/350982200.db2.gz ZWCVMROJXOSZLH-ZDUSSCGKSA-N 2 2 232.331 1.899 20 30 BDEDLP N#CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000397870429 350982203 /nfs/dbraw/zinc/98/22/03/350982203.db2.gz ZWCVMROJXOSZLH-ZDUSSCGKSA-N 2 2 232.331 1.899 20 30 BDEDLP N#CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000397870428 350982708 /nfs/dbraw/zinc/98/27/08/350982708.db2.gz ZWCVMROJXOSZLH-CYBMUJFWSA-N 2 2 232.331 1.899 20 30 BDEDLP N#CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000397870428 350982712 /nfs/dbraw/zinc/98/27/12/350982712.db2.gz ZWCVMROJXOSZLH-CYBMUJFWSA-N 2 2 232.331 1.899 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000278259797 351754072 /nfs/dbraw/zinc/75/40/72/351754072.db2.gz NKPJWUPPFVWKQX-UPJWGTAASA-N 2 2 232.331 1.944 20 30 BDEDLP C=CC[N@@H+](CCC#N)CCn1cc[nH+]c1C ZINC000292345962 352315968 /nfs/dbraw/zinc/31/59/68/352315968.db2.gz XFYLTYXAWXSCEL-UHFFFAOYSA-N 2 2 218.304 1.593 20 30 BDEDLP C=CC[N@H+](CCC#N)CCn1cc[nH+]c1C ZINC000292345962 352315971 /nfs/dbraw/zinc/31/59/71/352315971.db2.gz XFYLTYXAWXSCEL-UHFFFAOYSA-N 2 2 218.304 1.593 20 30 BDEDLP C[C@H](CCC#N)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000411268783 191174295 /nfs/dbraw/zinc/17/42/95/191174295.db2.gz NHKPFOUCIQGPSF-GFCCVEGCSA-N 2 2 247.346 1.220 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296477 353407215 /nfs/dbraw/zinc/40/72/15/353407215.db2.gz DGJXSAQJMGDJCD-QWHCGFSZSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296477 353407217 /nfs/dbraw/zinc/40/72/17/353407217.db2.gz DGJXSAQJMGDJCD-QWHCGFSZSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296477 353407222 /nfs/dbraw/zinc/40/72/22/353407222.db2.gz DGJXSAQJMGDJCD-QWHCGFSZSA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296477 353407225 /nfs/dbraw/zinc/40/72/25/353407225.db2.gz DGJXSAQJMGDJCD-QWHCGFSZSA-N 2 2 235.375 1.952 20 30 BDEDLP Cc1cc(N2CCC([C@H](C)[NH3+])CC2)c(C#N)c[nH+]1 ZINC000398987658 353417704 /nfs/dbraw/zinc/41/77/04/353417704.db2.gz IWFLFSKLDKVOPA-NSHDSACASA-N 2 2 244.342 1.825 20 30 BDEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639858 188389447 /nfs/dbraw/zinc/38/94/47/188389447.db2.gz YLGSSUPXCLGATL-FZMZJTMJSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)o1 ZINC000290639858 188389449 /nfs/dbraw/zinc/38/94/49/188389449.db2.gz YLGSSUPXCLGATL-FZMZJTMJSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000290639858 188389450 /nfs/dbraw/zinc/38/94/50/188389450.db2.gz YLGSSUPXCLGATL-FZMZJTMJSA-N 2 2 247.342 1.923 20 30 BDEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290639858 188389452 /nfs/dbraw/zinc/38/94/52/188389452.db2.gz YLGSSUPXCLGATL-FZMZJTMJSA-N 2 2 247.342 1.923 20 30 BDEDLP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C#N)c[nH+]1 ZINC000399003503 353551529 /nfs/dbraw/zinc/55/15/29/353551529.db2.gz UZJPOCGJOJRBPH-WCFLWFBJSA-N 2 2 242.326 1.435 20 30 BDEDLP C=CC[C@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000184287910 353636147 /nfs/dbraw/zinc/63/61/47/353636147.db2.gz DJEGCVXIDWRFRG-GFCCVEGCSA-N 2 2 245.326 1.669 20 30 BDEDLP C=CCOCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293929373 353763925 /nfs/dbraw/zinc/76/39/25/353763925.db2.gz YPRXJJBEQUFITI-GFCCVEGCSA-N 2 2 235.331 1.792 20 30 BDEDLP C=CCOCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293929373 353763928 /nfs/dbraw/zinc/76/39/28/353763928.db2.gz YPRXJJBEQUFITI-GFCCVEGCSA-N 2 2 235.331 1.792 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)on1 ZINC000294944116 353794507 /nfs/dbraw/zinc/79/45/07/353794507.db2.gz IDKVVRNZKCHHKM-GFCCVEGCSA-N 2 2 235.331 1.589 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)on1 ZINC000294944116 353794510 /nfs/dbraw/zinc/79/45/10/353794510.db2.gz IDKVVRNZKCHHKM-GFCCVEGCSA-N 2 2 235.331 1.589 20 30 BDEDLP N#CC1(F)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000352484869 181029339 /nfs/dbraw/zinc/02/93/39/181029339.db2.gz UZHNCWRSAHBEQB-UHFFFAOYSA-N 2 2 236.294 1.601 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)CC1(C#N)CC1 ZINC000343616297 353945704 /nfs/dbraw/zinc/94/57/04/353945704.db2.gz CWCOMKDYYHHLHD-UHFFFAOYSA-N 2 2 218.304 1.509 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC1(C#N)CC1 ZINC000343616297 353945705 /nfs/dbraw/zinc/94/57/05/353945705.db2.gz CWCOMKDYYHHLHD-UHFFFAOYSA-N 2 2 218.304 1.509 20 30 BDEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826386 181069125 /nfs/dbraw/zinc/06/91/25/181069125.db2.gz AENHRPHNKRQHEE-MNOVXSKESA-N 2 2 204.277 1.165 20 30 BDEDLP C=CCC[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449694042 202003608 /nfs/dbraw/zinc/00/36/08/202003608.db2.gz AJFABQWVUTTWIL-LBPRGKRZSA-N 2 2 245.326 1.751 20 30 BDEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000346656745 355004079 /nfs/dbraw/zinc/00/40/79/355004079.db2.gz QSDGCOVMMDSWJO-ZDUSSCGKSA-N 2 2 232.327 1.784 20 30 BDEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000346656745 355004080 /nfs/dbraw/zinc/00/40/80/355004080.db2.gz QSDGCOVMMDSWJO-ZDUSSCGKSA-N 2 2 232.327 1.784 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329518977 355926969 /nfs/dbraw/zinc/92/69/69/355926969.db2.gz NTKUEIPAXAWNBA-GMTAPVOTSA-N 2 2 230.315 1.549 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329518977 355926974 /nfs/dbraw/zinc/92/69/74/355926974.db2.gz NTKUEIPAXAWNBA-GMTAPVOTSA-N 2 2 230.315 1.549 20 30 BDEDLP Cc1cc(N(C)CCC[NH+](C)C)c(C#N)c[nH+]1 ZINC000399542037 356975094 /nfs/dbraw/zinc/97/50/94/356975094.db2.gz XKALDXJWKUNVKZ-UHFFFAOYSA-N 2 2 232.331 1.650 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358279982 134187421 /nfs/dbraw/zinc/18/74/21/134187421.db2.gz ANTWQQBMSJGZEQ-JSGCOSHPSA-N 2 2 238.375 1.651 20 30 BDEDLP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)C#N ZINC000247440531 359220790 /nfs/dbraw/zinc/22/07/90/359220790.db2.gz WTGYNSXQVFQSNN-CHWSQXEVSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)C#N ZINC000247440531 359220793 /nfs/dbraw/zinc/22/07/93/359220793.db2.gz WTGYNSXQVFQSNN-CHWSQXEVSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](C)C#N ZINC000247440531 359220795 /nfs/dbraw/zinc/22/07/95/359220795.db2.gz WTGYNSXQVFQSNN-CHWSQXEVSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](C)C#N ZINC000247440531 359220796 /nfs/dbraw/zinc/22/07/96/359220796.db2.gz WTGYNSXQVFQSNN-CHWSQXEVSA-N 2 2 223.364 1.952 20 30 BDEDLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000579014085 366696867 /nfs/dbraw/zinc/69/68/67/366696867.db2.gz NBQVEIBFWZDGAU-LLVKDONJSA-N 2 2 217.316 1.646 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452092485 202528568 /nfs/dbraw/zinc/52/85/68/202528568.db2.gz FBYREBJWHXNJPQ-ZDUSSCGKSA-N 2 2 240.391 1.778 20 30 BDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](C#N)CCC#N ZINC000573713047 364899748 /nfs/dbraw/zinc/89/97/48/364899748.db2.gz PZQCRMVEDMOBAO-CYBMUJFWSA-N 2 2 242.326 1.966 20 30 BDEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107573716 369353794 /nfs/dbraw/zinc/35/37/94/369353794.db2.gz QAWGKGUJUAENBK-KBPBESRZSA-N 2 2 227.311 1.209 20 30 BDEDLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1C#N ZINC000600703125 369559136 /nfs/dbraw/zinc/55/91/36/369559136.db2.gz LCFPWNHHAGRMNQ-NSHDSACASA-N 2 2 217.316 1.646 20 30 BDEDLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1C#N ZINC000600703125 369559140 /nfs/dbraw/zinc/55/91/40/369559140.db2.gz LCFPWNHHAGRMNQ-NSHDSACASA-N 2 2 217.316 1.646 20 30 BDEDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600769480 369560700 /nfs/dbraw/zinc/56/07/00/369560700.db2.gz NIOYOHVSXQWHLC-JTQLQIEISA-N 2 2 221.304 1.758 20 30 BDEDLP CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769780 369563472 /nfs/dbraw/zinc/56/34/72/369563472.db2.gz ZWLXJNMSXMRHHN-GWCFXTLKSA-N 2 2 233.315 1.710 20 30 BDEDLP CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769780 369563478 /nfs/dbraw/zinc/56/34/78/369563478.db2.gz ZWLXJNMSXMRHHN-GWCFXTLKSA-N 2 2 233.315 1.710 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000601329708 369621674 /nfs/dbraw/zinc/62/16/74/369621674.db2.gz MMNBNVOAQKSTGS-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000601329708 369621678 /nfs/dbraw/zinc/62/16/78/369621678.db2.gz MMNBNVOAQKSTGS-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311057776 370383638 /nfs/dbraw/zinc/38/36/38/370383638.db2.gz HWPYEYAEXGCCNW-HUUCEWRRSA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311057776 370383640 /nfs/dbraw/zinc/38/36/40/370383640.db2.gz HWPYEYAEXGCCNW-HUUCEWRRSA-N 2 2 241.338 1.742 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334535 371485280 /nfs/dbraw/zinc/48/52/80/371485280.db2.gz BSZWBHZDSPBTPB-XQQFMLRXSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334535 371485285 /nfs/dbraw/zinc/48/52/85/371485285.db2.gz BSZWBHZDSPBTPB-XQQFMLRXSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339286 371488018 /nfs/dbraw/zinc/48/80/18/371488018.db2.gz NMRCTASTKWPBBZ-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339286 371488023 /nfs/dbraw/zinc/48/80/23/371488023.db2.gz NMRCTASTKWPBBZ-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP CC#CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173954636 206005681 /nfs/dbraw/zinc/00/56/81/206005681.db2.gz MEQHDMCJBILWKV-ZDUSSCGKSA-N 2 2 208.349 1.816 20 30 BDEDLP CC#CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173954636 206005684 /nfs/dbraw/zinc/00/56/84/206005684.db2.gz MEQHDMCJBILWKV-ZDUSSCGKSA-N 2 2 208.349 1.816 20 30 BDEDLP CC#CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173954636 206005687 /nfs/dbraw/zinc/00/56/87/206005687.db2.gz MEQHDMCJBILWKV-ZDUSSCGKSA-N 2 2 208.349 1.816 20 30 BDEDLP CC#CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173954636 206005690 /nfs/dbraw/zinc/00/56/90/206005690.db2.gz MEQHDMCJBILWKV-ZDUSSCGKSA-N 2 2 208.349 1.816 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CCCCC#N)C[N@@H+]1C1CC1 ZINC000167263237 206146265 /nfs/dbraw/zinc/14/62/65/206146265.db2.gz FWLYDWNJPGQBIE-RYUDHWBXSA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CCCCC#N)C[N@H+]1C1CC1 ZINC000167263237 206146270 /nfs/dbraw/zinc/14/62/70/206146270.db2.gz FWLYDWNJPGQBIE-RYUDHWBXSA-N 2 2 221.348 1.895 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000335058503 384007890 /nfs/dbraw/zinc/00/78/90/384007890.db2.gz JEOISTGFPRGPBF-OCCSQVGLSA-N 2 2 227.311 1.497 20 30 BDEDLP C#CCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000370603836 533045659 /nfs/dbraw/zinc/04/56/59/533045659.db2.gz MJQJBDMIFVKPRM-CYBMUJFWSA-N 2 2 236.359 1.195 20 30 BDEDLP C#CCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000370603836 533045665 /nfs/dbraw/zinc/04/56/65/533045665.db2.gz MJQJBDMIFVKPRM-CYBMUJFWSA-N 2 2 236.359 1.195 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000371197235 533049295 /nfs/dbraw/zinc/04/92/95/533049295.db2.gz HPHHEDSYUUUGRK-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000371197235 533049297 /nfs/dbraw/zinc/04/92/97/533049297.db2.gz HPHHEDSYUUUGRK-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP C[NH+]=C(NCCCNc1cccc[nH+]1)NC1CC1 ZINC000171409886 385483684 /nfs/dbraw/zinc/48/36/84/385483684.db2.gz IPPGORYMEFMACE-UHFFFAOYSA-N 2 2 247.346 1.211 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000186578083 385771309 /nfs/dbraw/zinc/77/13/09/385771309.db2.gz DXRSGOYNEZZVKC-STQMWFEESA-N 2 2 228.380 1.491 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000186578083 385771312 /nfs/dbraw/zinc/77/13/12/385771312.db2.gz DXRSGOYNEZZVKC-STQMWFEESA-N 2 2 228.380 1.491 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000417351030 386490132 /nfs/dbraw/zinc/49/01/32/386490132.db2.gz BPLTVXNQBJQINW-QWRGUYRKSA-N 2 2 207.321 1.362 20 30 BDEDLP C=CCOCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000645083306 386709302 /nfs/dbraw/zinc/70/93/02/386709302.db2.gz KYDZEZZDYIFZLC-ZDUSSCGKSA-N 2 2 235.331 1.723 20 30 BDEDLP Cc1cc(NC[C@@H](C)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000399615895 387041926 /nfs/dbraw/zinc/04/19/26/387041926.db2.gz XOZMNJUHTVJWIS-SNVBAGLBSA-N 2 2 232.331 1.293 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423309502 387147219 /nfs/dbraw/zinc/14/72/19/387147219.db2.gz ZXPCWVIAQRIEKS-SRVKXCTJSA-N 2 2 207.321 1.410 20 30 BDEDLP COCC[NH2+]CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423323346 387167766 /nfs/dbraw/zinc/16/77/66/387167766.db2.gz HFCWMSDHTQFKDG-LBPRGKRZSA-N 2 2 247.342 1.445 20 30 BDEDLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)c(C#N)c[nH+]1 ZINC000399475192 387139312 /nfs/dbraw/zinc/13/93/12/387139312.db2.gz XAZMODYKIFEAQX-CYBMUJFWSA-N 2 2 244.342 1.578 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000514938390 387318268 /nfs/dbraw/zinc/31/82/68/387318268.db2.gz BHTVYJDLQNZNGA-DOMZBBRYSA-N 2 2 243.354 1.840 20 30 BDEDLP CC[C@@H](C)[N@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399484790 387709947 /nfs/dbraw/zinc/70/99/47/387709947.db2.gz FAUXEHJUUVHKDJ-GFCCVEGCSA-N 2 2 246.358 1.826 20 30 BDEDLP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399484790 387709955 /nfs/dbraw/zinc/70/99/55/387709955.db2.gz FAUXEHJUUVHKDJ-GFCCVEGCSA-N 2 2 246.358 1.826 20 30 BDEDLP C=CC[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422975649 387823957 /nfs/dbraw/zinc/82/39/57/387823957.db2.gz BRXCBJAFPMTRKE-WCFLWFBJSA-N 2 2 224.348 1.308 20 30 BDEDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442775095 387836970 /nfs/dbraw/zinc/83/69/70/387836970.db2.gz BJXQERBVPYOSPZ-CHWSQXEVSA-N 2 2 239.363 1.237 20 30 BDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442775095 387836973 /nfs/dbraw/zinc/83/69/73/387836973.db2.gz BJXQERBVPYOSPZ-CHWSQXEVSA-N 2 2 239.363 1.237 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000423092176 387883038 /nfs/dbraw/zinc/88/30/38/387883038.db2.gz AUYJAGSEJXKHEG-GHMZBOCLSA-N 2 2 207.321 1.268 20 30 BDEDLP C=C(C)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423158690 387937969 /nfs/dbraw/zinc/93/79/69/387937969.db2.gz WZGYFPJVGXBLMB-STQMWFEESA-N 2 2 224.348 1.309 20 30 BDEDLP C[NH2+]CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423236058 388021497 /nfs/dbraw/zinc/02/14/97/388021497.db2.gz BMFRWADAMPQPIV-CYBMUJFWSA-N 2 2 215.300 1.355 20 30 BDEDLP CC[N@H+](CCO)CC[NH2+]CC(C)(C)CCC#N ZINC000184547492 256846542 /nfs/dbraw/zinc/84/65/42/256846542.db2.gz PMMAACKOZPHCJO-UHFFFAOYSA-N 2 2 241.379 1.220 20 30 BDEDLP CC[N@@H+](CCO)CC[NH2+]CC(C)(C)CCC#N ZINC000184547492 256846543 /nfs/dbraw/zinc/84/65/43/256846543.db2.gz PMMAACKOZPHCJO-UHFFFAOYSA-N 2 2 241.379 1.220 20 30 BDEDLP COc1cc(C[NH2+][C@H](C)C[NH3+])ccc1C#N ZINC000414925326 388666807 /nfs/dbraw/zinc/66/68/07/388666807.db2.gz ISQUGSLZQXHSJU-SECBINFHSA-N 2 2 219.288 1.004 20 30 BDEDLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423219070 388687888 /nfs/dbraw/zinc/68/78/88/388687888.db2.gz VUDRJFLJAOSXNL-KBPBESRZSA-N 2 2 229.327 1.961 20 30 BDEDLP C[C@@H]([NH2+]CC[NH3+])c1ccc(C#N)c(F)c1 ZINC000423192544 388688356 /nfs/dbraw/zinc/68/83/56/388688356.db2.gz VVRMMJXBLYXATC-MRVPVSSYSA-N 2 2 207.252 1.307 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000565168370 388920547 /nfs/dbraw/zinc/92/05/47/388920547.db2.gz CRVVZNCRZZHVKB-VXGBXAGGSA-N 2 2 209.337 1.753 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000565168370 388920549 /nfs/dbraw/zinc/92/05/49/388920549.db2.gz CRVVZNCRZZHVKB-VXGBXAGGSA-N 2 2 209.337 1.753 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358279982 134187420 /nfs/dbraw/zinc/18/74/20/134187420.db2.gz ANTWQQBMSJGZEQ-JSGCOSHPSA-N 2 2 238.375 1.651 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000168785960 134247911 /nfs/dbraw/zinc/24/79/11/134247911.db2.gz IJLUPYSEMYCDTH-CYBMUJFWSA-N 2 2 215.300 1.481 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000168785960 134247912 /nfs/dbraw/zinc/24/79/12/134247912.db2.gz IJLUPYSEMYCDTH-CYBMUJFWSA-N 2 2 215.300 1.481 20 30 BDEDLP C=CC[C@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000184284698 134361446 /nfs/dbraw/zinc/36/14/46/134361446.db2.gz XRKREXFRFLCYIZ-GFCCVEGCSA-N 2 2 245.326 1.669 20 30 BDEDLP C[C@H](CC#N)[N@H+](C)CCCn1cc[nH+]c1 ZINC000063095833 134396075 /nfs/dbraw/zinc/39/60/75/134396075.db2.gz CGQHCCFKQULLCC-LLVKDONJSA-N 2 2 206.293 1.507 20 30 BDEDLP C[C@H](CC#N)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000063095833 134396076 /nfs/dbraw/zinc/39/60/76/134396076.db2.gz CGQHCCFKQULLCC-LLVKDONJSA-N 2 2 206.293 1.507 20 30 BDEDLP N#CCCOCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293910327 135184816 /nfs/dbraw/zinc/18/48/16/135184816.db2.gz WXNDURBCCOCMCX-LBPRGKRZSA-N 2 2 248.330 1.519 20 30 BDEDLP N#CCCOCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293910327 135184818 /nfs/dbraw/zinc/18/48/18/135184818.db2.gz WXNDURBCCOCMCX-LBPRGKRZSA-N 2 2 248.330 1.519 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120585395 135219389 /nfs/dbraw/zinc/21/93/89/135219389.db2.gz ISQHHKWPBGMULD-STQMWFEESA-N 2 2 238.375 1.794 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120585395 135219390 /nfs/dbraw/zinc/21/93/90/135219390.db2.gz ISQHHKWPBGMULD-STQMWFEESA-N 2 2 238.375 1.794 20 30 BDEDLP C=CC[NH+]1CCC(NCc2[nH+]cc(C)n2C)CC1 ZINC000341001697 135232259 /nfs/dbraw/zinc/23/22/59/135232259.db2.gz BKIYTABINLXFGJ-UHFFFAOYSA-N 2 2 248.374 1.469 20 30 BDEDLP CN(C)C(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000261974700 135267879 /nfs/dbraw/zinc/26/78/79/135267879.db2.gz FPOHXFXKBONGOV-SNVBAGLBSA-N 2 2 240.376 1.227 20 30 BDEDLP C=C(C)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985702 487558604 /nfs/dbraw/zinc/55/86/04/487558604.db2.gz HTGNUYMYQDDJEP-AWEZNQCLSA-N 2 2 238.375 1.749 20 30 BDEDLP C=C(C)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985702 487558608 /nfs/dbraw/zinc/55/86/08/487558608.db2.gz HTGNUYMYQDDJEP-AWEZNQCLSA-N 2 2 238.375 1.749 20 30 BDEDLP C=CCC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000268540964 166298011 /nfs/dbraw/zinc/29/80/11/166298011.db2.gz LAGRIDLKTARKFO-CQSZACIVSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268537447 166304576 /nfs/dbraw/zinc/30/45/76/166304576.db2.gz KACRJEMWFVXJID-OLZOCXBDSA-N 2 2 249.358 1.916 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268537447 166304578 /nfs/dbraw/zinc/30/45/78/166304578.db2.gz KACRJEMWFVXJID-OLZOCXBDSA-N 2 2 249.358 1.916 20 30 BDEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000266359038 166352281 /nfs/dbraw/zinc/35/22/81/166352281.db2.gz KIQNKIWPYNZFDQ-UHFFFAOYSA-N 2 2 232.331 1.847 20 30 BDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000657294104 411451250 /nfs/dbraw/zinc/45/12/50/411451250.db2.gz DMFCHIWJZAPGSU-UHFFFAOYSA-N 2 2 249.362 1.038 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](CC)C2)CC1 ZINC000657353285 411474063 /nfs/dbraw/zinc/47/40/63/411474063.db2.gz PSUHCLVQJIFMID-KBPBESRZSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCCn1cc(C[NH2+]CCC[NH+]2CCC2)nn1 ZINC000657423739 411504884 /nfs/dbraw/zinc/50/48/84/411504884.db2.gz LHZUGEOTNFSUGK-UHFFFAOYSA-N 2 2 249.362 1.040 20 30 BDEDLP C=C(CC)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657484197 411528664 /nfs/dbraw/zinc/52/86/64/411528664.db2.gz LCLGFHVTPGWKDT-UHFFFAOYSA-N 2 2 205.305 1.885 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660431204 411583443 /nfs/dbraw/zinc/58/34/43/411583443.db2.gz YCIYQVFIBZBLAH-KGLIPLIRSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660431204 411583445 /nfs/dbraw/zinc/58/34/45/411583445.db2.gz YCIYQVFIBZBLAH-KGLIPLIRSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660431204 411583447 /nfs/dbraw/zinc/58/34/47/411583447.db2.gz YCIYQVFIBZBLAH-KGLIPLIRSA-N 2 2 240.391 1.728 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660431204 411583448 /nfs/dbraw/zinc/58/34/48/411583448.db2.gz YCIYQVFIBZBLAH-KGLIPLIRSA-N 2 2 240.391 1.728 20 30 BDEDLP C=CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662299493 412086452 /nfs/dbraw/zinc/08/64/52/412086452.db2.gz RJSFJPOMIVAIID-STQMWFEESA-N 2 2 224.348 1.263 20 30 BDEDLP C=CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662299493 412086455 /nfs/dbraw/zinc/08/64/55/412086455.db2.gz RJSFJPOMIVAIID-STQMWFEESA-N 2 2 224.348 1.263 20 30 BDEDLP C=CCCC(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662952827 412352782 /nfs/dbraw/zinc/35/27/82/412352782.db2.gz HVYRFJCRABXJNO-NSHDSACASA-N 2 2 241.379 1.126 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352482688 173026610 /nfs/dbraw/zinc/02/66/10/173026610.db2.gz HHAWZPKMCSXLAG-GFCCVEGCSA-N 2 2 239.338 1.798 20 30 BDEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352482688 173026613 /nfs/dbraw/zinc/02/66/13/173026613.db2.gz HHAWZPKMCSXLAG-GFCCVEGCSA-N 2 2 239.338 1.798 20 30 BDEDLP C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000335630355 173322935 /nfs/dbraw/zinc/32/29/35/173322935.db2.gz UAQIXOCWIBOZBY-UHFFFAOYSA-N 2 2 229.327 1.742 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000571127978 323136213 /nfs/dbraw/zinc/13/62/13/323136213.db2.gz GJGOBAMUQSJXON-OLZOCXBDSA-N 2 2 232.331 1.945 20 30 BDEDLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CC#N)n1C ZINC000514617724 323326579 /nfs/dbraw/zinc/32/65/79/323326579.db2.gz XMBZEVFWHCBFNO-UHFFFAOYSA-N 2 2 220.320 1.758 20 30 BDEDLP CC#CC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003117 325325383 /nfs/dbraw/zinc/32/53/83/325325383.db2.gz GUYDDXQGPJILEN-CYBMUJFWSA-N 2 2 208.349 1.673 20 30 BDEDLP CC#CC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003117 325325385 /nfs/dbraw/zinc/32/53/85/325325385.db2.gz GUYDDXQGPJILEN-CYBMUJFWSA-N 2 2 208.349 1.673 20 30 BDEDLP COCC[N@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000135171850 325398576 /nfs/dbraw/zinc/39/85/76/325398576.db2.gz YOTDMIAHTULCNN-UHFFFAOYSA-N 2 2 241.379 1.484 20 30 BDEDLP COCC[N@@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000135171850 325398578 /nfs/dbraw/zinc/39/85/78/325398578.db2.gz YOTDMIAHTULCNN-UHFFFAOYSA-N 2 2 241.379 1.484 20 30 BDEDLP Cn1c[nH+]cc1CCC[NH+]1CCC(C#N)CC1 ZINC000314310253 326297087 /nfs/dbraw/zinc/29/70/87/326297087.db2.gz GBZSMGWHGHCGBI-UHFFFAOYSA-N 2 2 232.331 1.588 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569230395 326396205 /nfs/dbraw/zinc/39/62/05/326396205.db2.gz WITGBTMGKGDSCY-STQMWFEESA-N 2 2 246.358 1.504 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569230395 326396207 /nfs/dbraw/zinc/39/62/07/326396207.db2.gz WITGBTMGKGDSCY-STQMWFEESA-N 2 2 246.358 1.504 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000186578102 487988411 /nfs/dbraw/zinc/98/84/11/487988411.db2.gz DXRSGOYNEZZVKC-QWHCGFSZSA-N 2 2 228.380 1.491 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000186578102 487988414 /nfs/dbraw/zinc/98/84/14/487988414.db2.gz DXRSGOYNEZZVKC-QWHCGFSZSA-N 2 2 228.380 1.491 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCOC)C[C@H]1C ZINC000677820498 487519639 /nfs/dbraw/zinc/51/96/39/487519639.db2.gz PITZXYVQKPGEFJ-ZIAGYGMSSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCOC)C[C@H]1C ZINC000677820498 487519642 /nfs/dbraw/zinc/51/96/42/487519642.db2.gz PITZXYVQKPGEFJ-ZIAGYGMSSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCOC)C[C@H]1C ZINC000677820498 487519644 /nfs/dbraw/zinc/51/96/44/487519644.db2.gz PITZXYVQKPGEFJ-ZIAGYGMSSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCOC)C[C@H]1C ZINC000677820498 487519646 /nfs/dbraw/zinc/51/96/46/487519646.db2.gz PITZXYVQKPGEFJ-ZIAGYGMSSA-N 2 2 238.375 1.441 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000678080433 488192869 /nfs/dbraw/zinc/19/28/69/488192869.db2.gz DZAPIWMJAHPZKK-KGLIPLIRSA-N 2 2 247.342 1.416 20 30 BDEDLP COCC#CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000678080433 488192871 /nfs/dbraw/zinc/19/28/71/488192871.db2.gz DZAPIWMJAHPZKK-KGLIPLIRSA-N 2 2 247.342 1.416 20 30 BDEDLP C#C[C@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000491630086 527427498 /nfs/dbraw/zinc/42/74/98/527427498.db2.gz NQBQOQWPGIJUKR-AWEZNQCLSA-N 2 2 247.342 1.306 20 30 BDEDLP C#C[C@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000491630086 527427503 /nfs/dbraw/zinc/42/75/03/527427503.db2.gz NQBQOQWPGIJUKR-AWEZNQCLSA-N 2 2 247.342 1.306 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000854231425 588780884 /nfs/dbraw/zinc/78/08/84/588780884.db2.gz HWPFVHXHKGJZAO-NEPJUHHUSA-N 2 2 247.342 1.847 20 30 BDEDLP C=CC[NH+]1CCC(Nc2cc(NC)[nH+]cn2)CC1 ZINC000892396798 582875429 /nfs/dbraw/zinc/87/54/29/582875429.db2.gz NSWYFHYYNYGTJH-UHFFFAOYSA-N 2 2 247.346 1.581 20 30 BDEDLP C=CC[NH+]1CCC(Nc2cc(NC)nc[nH+]2)CC1 ZINC000892396798 582875431 /nfs/dbraw/zinc/87/54/31/582875431.db2.gz NSWYFHYYNYGTJH-UHFFFAOYSA-N 2 2 247.346 1.581 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000854231428 583083651 /nfs/dbraw/zinc/08/36/51/583083651.db2.gz HWPFVHXHKGJZAO-VXGBXAGGSA-N 2 2 247.342 1.847 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000775571117 583093213 /nfs/dbraw/zinc/09/32/13/583093213.db2.gz AJKIZGMBMNVAML-CBBWQLFWSA-N 2 2 248.370 1.384 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000775571117 583093216 /nfs/dbraw/zinc/09/32/16/583093216.db2.gz AJKIZGMBMNVAML-CBBWQLFWSA-N 2 2 248.370 1.384 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ocnc2C)CC1 ZINC000894229823 583384588 /nfs/dbraw/zinc/38/45/88/583384588.db2.gz YSMPCNVVHLNHKR-UHFFFAOYSA-N 2 2 235.331 1.723 20 30 BDEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000896556581 583812824 /nfs/dbraw/zinc/81/28/24/583812824.db2.gz YMRBGQQWNQGUKC-WTIISPKJSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000896556581 583812825 /nfs/dbraw/zinc/81/28/25/583812825.db2.gz YMRBGQQWNQGUKC-WTIISPKJSA-N 2 2 221.348 1.751 20 30 BDEDLP C#CC[C@@H](CCOC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000858334571 588946505 /nfs/dbraw/zinc/94/65/05/588946505.db2.gz QBLOKWIIARNMSM-LBPRGKRZSA-N 2 2 247.342 1.347 20 30 BDEDLP CC(=[NH+]OCC1CCC1)c1c[nH]c(N)[nH+]1 ZINC000901266808 584418599 /nfs/dbraw/zinc/41/85/99/584418599.db2.gz VYMSVHQTXJPQCH-UHFFFAOYSA-N 2 2 208.265 1.533 20 30 BDEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000902443586 584598420 /nfs/dbraw/zinc/59/84/20/584598420.db2.gz LEZIDQBMTAWKKF-TUAOUCFPSA-N 2 2 221.348 1.656 20 30 BDEDLP C[C@H](C#N)OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000801926562 584653558 /nfs/dbraw/zinc/65/35/58/584653558.db2.gz SRWXNASXACSFOS-LLVKDONJSA-N 2 2 248.330 1.518 20 30 BDEDLP N#CC1(CCCC[N@H+]2CC[C@@H]([NH3+])C2)CCC1 ZINC000903713441 584793814 /nfs/dbraw/zinc/79/38/14/584793814.db2.gz QLAGALXWLRKJJI-GFCCVEGCSA-N 2 2 221.348 1.884 20 30 BDEDLP N#CC1(CCCC[N@@H+]2CC[C@@H]([NH3+])C2)CCC1 ZINC000903713441 584793815 /nfs/dbraw/zinc/79/38/15/584793815.db2.gz QLAGALXWLRKJJI-GFCCVEGCSA-N 2 2 221.348 1.884 20 30 BDEDLP C[C@]1(C#N)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903767376 584798219 /nfs/dbraw/zinc/79/82/19/584798219.db2.gz WEAVVPACHWHKIV-CHWSQXEVSA-N 2 2 221.348 1.612 20 30 BDEDLP C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903767376 584798220 /nfs/dbraw/zinc/79/82/20/584798220.db2.gz WEAVVPACHWHKIV-CHWSQXEVSA-N 2 2 221.348 1.612 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000760830106 585398387 /nfs/dbraw/zinc/39/83/87/585398387.db2.gz JGZZAHXYUQUMNV-LBPRGKRZSA-N 2 2 203.289 1.543 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000760830106 585398388 /nfs/dbraw/zinc/39/83/88/585398388.db2.gz JGZZAHXYUQUMNV-LBPRGKRZSA-N 2 2 203.289 1.543 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027494 585569839 /nfs/dbraw/zinc/56/98/39/585569839.db2.gz UEDPHUHZMMVGLH-STQMWFEESA-N 2 2 249.358 1.537 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027494 585569840 /nfs/dbraw/zinc/56/98/40/585569840.db2.gz UEDPHUHZMMVGLH-STQMWFEESA-N 2 2 249.358 1.537 20 30 BDEDLP C[C@H](CC#N)N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000776188057 585691164 /nfs/dbraw/zinc/69/11/64/585691164.db2.gz UKNRHYMLTSHJKY-SNVBAGLBSA-N 2 2 231.303 1.373 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]N[C@H]1CCCOC1 ZINC000780262505 585775924 /nfs/dbraw/zinc/77/59/24/585775924.db2.gz OIQPBMWYUWQFSU-LBPRGKRZSA-N 2 2 248.330 1.250 20 30 BDEDLP CC[C@@H](C)N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000790184649 585960109 /nfs/dbraw/zinc/96/01/09/585960109.db2.gz ZEGYUCMNZFLEDM-SNVBAGLBSA-N 2 2 220.320 1.870 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000846775873 588287665 /nfs/dbraw/zinc/28/76/65/588287665.db2.gz DREYLTOAVAEISH-GFCCVEGCSA-N 2 2 214.353 1.195 20 30 BDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000846775873 588287666 /nfs/dbraw/zinc/28/76/66/588287666.db2.gz DREYLTOAVAEISH-GFCCVEGCSA-N 2 2 214.353 1.195 20 30 BDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000846775873 588287667 /nfs/dbraw/zinc/28/76/67/588287667.db2.gz DREYLTOAVAEISH-GFCCVEGCSA-N 2 2 214.353 1.195 20 30 BDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000846775873 588287668 /nfs/dbraw/zinc/28/76/68/588287668.db2.gz DREYLTOAVAEISH-GFCCVEGCSA-N 2 2 214.353 1.195 20 30 BDEDLP c1cn(CCCN=NC2CC[N@@H+]3CCC[C@@H]23)c[nH+]1 ZINC000848418684 588382246 /nfs/dbraw/zinc/38/22/46/588382246.db2.gz PGZFKRAZPWFFEO-ZDUSSCGKSA-N 2 2 247.346 1.087 20 30 BDEDLP c1cn(CCCN=NC2CC[N@H+]3CCC[C@@H]23)c[nH+]1 ZINC000848418684 588382248 /nfs/dbraw/zinc/38/22/48/588382248.db2.gz PGZFKRAZPWFFEO-ZDUSSCGKSA-N 2 2 247.346 1.087 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCCO1 ZINC000850251003 588532080 /nfs/dbraw/zinc/53/20/80/588532080.db2.gz JJOSYECFJZGBFL-OLZOCXBDSA-N 2 2 245.326 1.100 20 30 BDEDLP C=CC[C@@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000878079129 590487461 /nfs/dbraw/zinc/48/74/61/590487461.db2.gz RUKYIVJLYMPNTF-CYBMUJFWSA-N 2 2 248.374 1.502 20 30 BDEDLP C#CC[N@H+](C)CCCNc1nc[nH+]c(C)c1C ZINC000882402895 591343358 /nfs/dbraw/zinc/34/33/58/591343358.db2.gz ZZVGXRTUPRPUKW-UHFFFAOYSA-N 2 2 232.331 1.460 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1nc[nH+]c(C)c1C ZINC000882402895 591343362 /nfs/dbraw/zinc/34/33/62/591343362.db2.gz ZZVGXRTUPRPUKW-UHFFFAOYSA-N 2 2 232.331 1.460 20 30 BDEDLP C#CC[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000886365598 592219918 /nfs/dbraw/zinc/21/99/18/592219918.db2.gz MBGQISSGKMDTAK-LBPRGKRZSA-N 2 2 217.316 1.308 20 30 BDEDLP C#CC[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000886365598 592219921 /nfs/dbraw/zinc/21/99/21/592219921.db2.gz MBGQISSGKMDTAK-LBPRGKRZSA-N 2 2 217.316 1.308 20 30 BDEDLP C=C1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925829769 635462260 /nfs/dbraw/zinc/46/22/60/635462260.db2.gz BBOXOECVBMYWNO-ZDUSSCGKSA-N 2 2 224.348 1.311 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(CCC)c1 ZINC000328012638 633215080 /nfs/dbraw/zinc/21/50/80/633215080.db2.gz QGZNOEXDBXHQJR-UHFFFAOYSA-N 2 2 248.374 1.338 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(CCC)c1 ZINC000328012638 633215081 /nfs/dbraw/zinc/21/50/81/633215081.db2.gz QGZNOEXDBXHQJR-UHFFFAOYSA-N 2 2 248.374 1.338 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000383202026 711465697 /nfs/dbraw/zinc/46/56/97/711465697.db2.gz VJAPLGUJHRVGKR-UHFFFAOYSA-N 2 2 247.367 1.664 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000383202026 711465700 /nfs/dbraw/zinc/46/57/00/711465700.db2.gz VJAPLGUJHRVGKR-UHFFFAOYSA-N 2 2 247.367 1.664 20 30 BDEDLP C#CCC1([NH2+]CC[NH+]2CCCC2)CCC1 ZINC000933295819 640700833 /nfs/dbraw/zinc/70/08/33/640700833.db2.gz XMMCSQPDVKXYOE-UHFFFAOYSA-N 2 2 206.333 1.618 20 30 BDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)CC(C)C ZINC000154754729 642220378 /nfs/dbraw/zinc/22/03/78/642220378.db2.gz BSDPQIZQTVLXGS-UHFFFAOYSA-N 2 2 238.335 1.917 20 30 BDEDLP C[C@H](C#N)OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000801925756 644844164 /nfs/dbraw/zinc/84/41/64/644844164.db2.gz JBSAISJMEWNIJR-GFCCVEGCSA-N 2 2 248.330 1.449 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926533417 645261654 /nfs/dbraw/zinc/26/16/54/645261654.db2.gz ZBTCDSOXBUVJFV-CRWXNKLISA-N 2 2 236.359 1.404 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926533417 645261662 /nfs/dbraw/zinc/26/16/62/645261662.db2.gz ZBTCDSOXBUVJFV-CRWXNKLISA-N 2 2 236.359 1.404 20 30 BDEDLP N#CCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925653890 646391404 /nfs/dbraw/zinc/39/14/04/646391404.db2.gz BWJGWGWJGNGYHQ-LBPRGKRZSA-N 2 2 233.359 1.945 20 30 BDEDLP C#CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000830343451 712594926 /nfs/dbraw/zinc/59/49/26/712594926.db2.gz WRYQGFMERKNCLI-UHFFFAOYSA-N 2 2 217.316 1.618 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1CC ZINC000385655553 711015928 /nfs/dbraw/zinc/01/59/28/711015928.db2.gz XDUOVTHXRLRSII-UHFFFAOYSA-N 2 2 248.374 1.027 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1CC ZINC000385655553 711015933 /nfs/dbraw/zinc/01/59/33/711015933.db2.gz XDUOVTHXRLRSII-UHFFFAOYSA-N 2 2 248.374 1.027 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncc(OC)c1 ZINC000700049230 711984930 /nfs/dbraw/zinc/98/49/30/711984930.db2.gz QJTBAWRPSDXCAB-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncc(OC)c1 ZINC000700049230 711984932 /nfs/dbraw/zinc/98/49/32/711984932.db2.gz QJTBAWRPSDXCAB-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C=CC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000706631550 712152175 /nfs/dbraw/zinc/15/21/75/712152175.db2.gz ILMIKQWNADVFQR-SNVBAGLBSA-N 2 2 218.291 1.867 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718920394 712788046 /nfs/dbraw/zinc/78/80/46/712788046.db2.gz XWXIVRYQZIFJDE-UPJWGTAASA-N 2 2 237.347 1.084 20 30 BDEDLP C[C@H](C#N)OCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718920394 712788048 /nfs/dbraw/zinc/78/80/48/712788048.db2.gz XWXIVRYQZIFJDE-UPJWGTAASA-N 2 2 237.347 1.084 20 30 BDEDLP C[C@H](C#N)OCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000718920394 712788050 /nfs/dbraw/zinc/78/80/50/712788050.db2.gz XWXIVRYQZIFJDE-UPJWGTAASA-N 2 2 237.347 1.084 20 30 BDEDLP C[C@H](C#N)OCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000718920394 712788051 /nfs/dbraw/zinc/78/80/51/712788051.db2.gz XWXIVRYQZIFJDE-UPJWGTAASA-N 2 2 237.347 1.084 20 30 BDEDLP C=CCC[C@H](O)C[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001252614316 968871783 /nfs/dbraw/zinc/87/17/83/968871783.db2.gz HZEWUPZKFXOEJJ-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C=CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C(C)(C)C ZINC001236310117 979514682 /nfs/dbraw/zinc/51/46/82/979514682.db2.gz VHBPTFSTLXZMSI-NSHDSACASA-N 2 2 226.364 1.997 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172481029 974780817 /nfs/dbraw/zinc/78/08/17/974780817.db2.gz ZNUVLBDECAMXOI-NEPJUHHUSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172481029 974780823 /nfs/dbraw/zinc/78/08/23/974780823.db2.gz ZNUVLBDECAMXOI-NEPJUHHUSA-N 2 2 209.337 1.753 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246835178 973126918 /nfs/dbraw/zinc/12/69/18/973126918.db2.gz HHRVAHUZGVPVFZ-YNEHKIRRSA-N 2 2 206.333 1.472 20 30 BDEDLP C#C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246835178 973126939 /nfs/dbraw/zinc/12/69/39/973126939.db2.gz HHRVAHUZGVPVFZ-YNEHKIRRSA-N 2 2 206.333 1.472 20 30 BDEDLP N#CC1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001256953090 971025117 /nfs/dbraw/zinc/02/51/17/971025117.db2.gz BKBTXBHJNKSJOI-UHFFFAOYSA-N 2 2 218.304 1.639 20 30 BDEDLP N#CC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246078374 972132064 /nfs/dbraw/zinc/13/20/64/972132064.db2.gz AWEVQDJUTKCHML-MMVSWEMESA-N 2 2 225.311 1.358 20 30 BDEDLP N#CCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246104199 972165816 /nfs/dbraw/zinc/16/58/16/972165816.db2.gz ZZTYEEIUPGRVFW-TYUFSLCMSA-N 2 2 239.338 1.748 20 30 BDEDLP C=CCCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220484731 972233321 /nfs/dbraw/zinc/23/33/21/972233321.db2.gz REQZFJLBVKPWIB-CYBMUJFWSA-N 2 2 247.342 1.341 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048798 960874174 /nfs/dbraw/zinc/87/41/74/960874174.db2.gz MTKCRWARMPIFPG-BXUZGUMPSA-N 2 2 229.327 1.646 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048798 960874182 /nfs/dbraw/zinc/87/41/82/960874182.db2.gz MTKCRWARMPIFPG-BXUZGUMPSA-N 2 2 229.327 1.646 20 30 BDEDLP C[Si](C)(C)C#C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162984285 965218698 /nfs/dbraw/zinc/21/86/98/965218698.db2.gz GMZBQNOYZDJGHB-NWDGAFQWSA-N 2 2 222.408 1.699 20 30 BDEDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001205171728 966210187 /nfs/dbraw/zinc/21/01/87/966210187.db2.gz WIERQVKKZKLMCA-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCc1ccc(C#N)cc1 ZINC001205171728 966210200 /nfs/dbraw/zinc/21/02/00/966210200.db2.gz WIERQVKKZKLMCA-BXUZGUMPSA-N 2 2 229.327 1.522 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206183081 968116265 /nfs/dbraw/zinc/11/62/65/968116265.db2.gz FIPNIKXKIXNGIR-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206183081 968116275 /nfs/dbraw/zinc/11/62/75/968116275.db2.gz FIPNIKXKIXNGIR-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001252578095 968831111 /nfs/dbraw/zinc/83/11/11/968831111.db2.gz BMIJDZFPHVTMMC-OCCSQVGLSA-N 2 2 238.375 1.530 20 30 BDEDLP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001252578095 968831113 /nfs/dbraw/zinc/83/11/13/968831113.db2.gz BMIJDZFPHVTMMC-OCCSQVGLSA-N 2 2 238.375 1.530 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254673969 969780375 /nfs/dbraw/zinc/78/03/75/969780375.db2.gz RXNUAIPJBDSDBG-AAVRWANBSA-N 2 2 233.359 1.705 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254673969 969780382 /nfs/dbraw/zinc/78/03/82/969780382.db2.gz RXNUAIPJBDSDBG-AAVRWANBSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254673969 969780388 /nfs/dbraw/zinc/78/03/88/969780388.db2.gz RXNUAIPJBDSDBG-AAVRWANBSA-N 2 2 233.359 1.705 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254673969 969780394 /nfs/dbraw/zinc/78/03/94/969780394.db2.gz RXNUAIPJBDSDBG-AAVRWANBSA-N 2 2 233.359 1.705 20 30 BDEDLP C=CCCCCCCC[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001210399918 969883766 /nfs/dbraw/zinc/88/37/66/969883766.db2.gz MSZNWRRWTYYDGK-CQSZACIVSA-N 2 2 240.391 1.779 20 30 BDEDLP C=CCCCCCCC[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001210399918 969883768 /nfs/dbraw/zinc/88/37/68/969883768.db2.gz MSZNWRRWTYYDGK-CQSZACIVSA-N 2 2 240.391 1.779 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]C(C)(C)CC[NH+](C)C ZINC001255155286 969963315 /nfs/dbraw/zinc/96/33/15/969963315.db2.gz OQDKRYPADHCZSY-NSHDSACASA-N 2 2 211.353 1.999 20 30 BDEDLP C#CC[NH+](CC#C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130740 974354532 /nfs/dbraw/zinc/35/45/32/974354532.db2.gz QXZNYLUURZBANW-QDMKHBRRSA-N 2 2 230.355 1.570 20 30 BDEDLP C#CC[NH+](CC#C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130740 974354544 /nfs/dbraw/zinc/35/45/44/974354544.db2.gz QXZNYLUURZBANW-QDMKHBRRSA-N 2 2 230.355 1.570 20 30 BDEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](C#N)C1)C2 ZINC001172123666 974388243 /nfs/dbraw/zinc/38/82/43/974388243.db2.gz HPZFPTGYKTUKGS-MQYQWHSLSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](C#N)C1)C2 ZINC001172123666 974388250 /nfs/dbraw/zinc/38/82/50/974388250.db2.gz HPZFPTGYKTUKGS-MQYQWHSLSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](C#N)C1)C2 ZINC001172123666 974388253 /nfs/dbraw/zinc/38/82/53/974388253.db2.gz HPZFPTGYKTUKGS-MQYQWHSLSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](C#N)C1)C2 ZINC001172123666 974388260 /nfs/dbraw/zinc/38/82/60/974388260.db2.gz HPZFPTGYKTUKGS-MQYQWHSLSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC(C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173589283 975430315 /nfs/dbraw/zinc/43/03/15/975430315.db2.gz ZWCJVMJODJONKN-UHFFFAOYSA-N 2 2 221.348 1.610 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)O1 ZINC001235779169 979149556 /nfs/dbraw/zinc/14/95/56/979149556.db2.gz XQOYBAMANDAFMN-NEPJUHHUSA-N 2 2 237.347 1.337 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](CC#N)C2)O1 ZINC001235779169 979149559 /nfs/dbraw/zinc/14/95/59/979149559.db2.gz XQOYBAMANDAFMN-NEPJUHHUSA-N 2 2 237.347 1.337 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235990198 979272436 /nfs/dbraw/zinc/27/24/36/979272436.db2.gz LSBAFPDDQLGAKR-GXTWGEPZSA-N 2 2 243.310 1.187 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235990198 979272442 /nfs/dbraw/zinc/27/24/42/979272442.db2.gz LSBAFPDDQLGAKR-GXTWGEPZSA-N 2 2 243.310 1.187 20 30 BDEDLP C=CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C(C)(C)C ZINC001236310117 979514673 /nfs/dbraw/zinc/51/46/73/979514673.db2.gz VHBPTFSTLXZMSI-NSHDSACASA-N 2 2 226.364 1.997 20 30 BDEDLP C=C[C@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001253571754 986091530 /nfs/dbraw/zinc/09/15/30/986091530.db2.gz JDPKJSFTTRFXPL-LBPRGKRZSA-N 2 2 248.326 1.472 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246035483 987337266 /nfs/dbraw/zinc/33/72/66/987337266.db2.gz SDZZPBKSADWMHD-ZIAGYGMSSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246035483 987337278 /nfs/dbraw/zinc/33/72/78/987337278.db2.gz SDZZPBKSADWMHD-ZIAGYGMSSA-N 2 2 238.375 1.532 20 30 BDEDLP C#CC(CC)(CC)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246072628 987361436 /nfs/dbraw/zinc/36/14/36/987361436.db2.gz QBZMRVFNTKEOCX-RYUDHWBXSA-N 2 2 208.349 1.909 20 30 BDEDLP N#CCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246104198 987428724 /nfs/dbraw/zinc/42/87/24/987428724.db2.gz ZZTYEEIUPGRVFW-TUUUFIMRSA-N 2 2 239.338 1.748 20 30 BDEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246104149 987428907 /nfs/dbraw/zinc/42/89/07/987428907.db2.gz ZUSILTQFVXTARJ-CMOBGSAGSA-N 2 2 239.338 1.748 20 30 BDEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246115605 987453129 /nfs/dbraw/zinc/45/31/29/987453129.db2.gz SZXCDPXUFGEHPH-JHJVBQTASA-N 2 2 228.380 1.658 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246262200 987659635 /nfs/dbraw/zinc/65/96/35/987659635.db2.gz IACDYLUBSGUMQS-CQSZACIVSA-N 2 2 214.312 1.510 20 30 BDEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563354 988004983 /nfs/dbraw/zinc/00/49/83/988004983.db2.gz BVHLMJBEOQNUJL-KXNHARMFSA-N 2 2 207.321 1.348 20 30 BDEDLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563354 988005009 /nfs/dbraw/zinc/00/50/09/988005009.db2.gz BVHLMJBEOQNUJL-KXNHARMFSA-N 2 2 207.321 1.348 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648138 988373230 /nfs/dbraw/zinc/37/32/30/988373230.db2.gz KZSJZKZWSXIHDX-HZSPNIEDSA-N 2 2 233.359 1.897 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648138 988373238 /nfs/dbraw/zinc/37/32/38/988373238.db2.gz KZSJZKZWSXIHDX-HZSPNIEDSA-N 2 2 233.359 1.897 20 30 BDEDLP N#CCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922337 988739290 /nfs/dbraw/zinc/73/92/90/988739290.db2.gz VSYXVSUVMKDOPG-PYNQCMFNSA-N 2 2 219.332 1.362 20 30 BDEDLP N#CCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922337 988739297 /nfs/dbraw/zinc/73/92/97/988739297.db2.gz VSYXVSUVMKDOPG-PYNQCMFNSA-N 2 2 219.332 1.362 20 30 BDEDLP C[C@H]([NH3+])C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001326473877 989569277 /nfs/dbraw/zinc/56/92/77/989569277.db2.gz PPMBGKJTPBNYQL-XGNXJENSSA-N 2 2 229.327 1.547 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)nc1)C1CC[NH+](C)CC1 ZINC001140540819 991664336 /nfs/dbraw/zinc/66/43/36/991664336.db2.gz NHHOYRBDAQTJAW-UHFFFAOYSA-N 2 2 244.342 1.479 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)nc1)C1CC[NH+](C)CC1 ZINC001140540819 991664341 /nfs/dbraw/zinc/66/43/41/991664341.db2.gz NHHOYRBDAQTJAW-UHFFFAOYSA-N 2 2 244.342 1.479 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001576608025 993364453 /nfs/dbraw/zinc/36/44/53/993364453.db2.gz MLLPMIZNPPSGAH-JQWIXIFHSA-N 2 2 230.315 1.265 20 30 BDEDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001576608025 993364455 /nfs/dbraw/zinc/36/44/55/993364455.db2.gz MLLPMIZNPPSGAH-JQWIXIFHSA-N 2 2 230.315 1.265 20 30 BDEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)C[C@@H]1C[NH3+] ZINC001576732924 993411551 /nfs/dbraw/zinc/41/15/51/993411551.db2.gz ZVCSGMVBRLYPJP-AAEUAGOBSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C[C@@H]1C[NH3+] ZINC001576732924 993411554 /nfs/dbraw/zinc/41/15/54/993411554.db2.gz ZVCSGMVBRLYPJP-AAEUAGOBSA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335181339 343980601 /nfs/dbraw/zinc/98/06/01/343980601.db2.gz OSADGZSUITZJEH-RISCZKNCSA-N 2 2 229.327 1.961 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000649382796 398191816 /nfs/dbraw/zinc/19/18/16/398191816.db2.gz RRIYUSXBQQHDTH-NEPJUHHUSA-N 2 2 235.331 1.526 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000649382796 398191820 /nfs/dbraw/zinc/19/18/20/398191820.db2.gz RRIYUSXBQQHDTH-NEPJUHHUSA-N 2 2 235.331 1.526 20 30 BDEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000309497526 136218732 /nfs/dbraw/zinc/21/87/32/136218732.db2.gz YWBNXCJYCFNEIA-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000602528850 349578636 /nfs/dbraw/zinc/57/86/36/349578636.db2.gz LTMSIKZVCJPGBF-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000602528850 349578639 /nfs/dbraw/zinc/57/86/39/349578639.db2.gz LTMSIKZVCJPGBF-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602503508 349580874 /nfs/dbraw/zinc/58/08/74/349580874.db2.gz KFAKBRFIIDDEFM-UHFFFAOYSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]CC[NH+]1CCCC1 ZINC000602586649 349612274 /nfs/dbraw/zinc/61/22/74/349612274.db2.gz LSJFWGOMUUETQG-GFCCVEGCSA-N 2 2 209.337 1.612 20 30 BDEDLP CC[C@H](CC#N)[NH2+]CCc1c[nH+]cn1C ZINC000401827718 259328313 /nfs/dbraw/zinc/32/83/13/259328313.db2.gz DUIVWWIIQSVXHN-SNVBAGLBSA-N 2 2 206.293 1.244 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602652791 349660193 /nfs/dbraw/zinc/66/01/93/349660193.db2.gz GLVRBLHZAJKOGW-UNXYVOJBSA-N 2 2 209.337 1.608 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000135150933 343943542 /nfs/dbraw/zinc/94/35/42/343943542.db2.gz XWGSUGGUISYYJE-VXGBXAGGSA-N 2 2 245.326 1.868 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000135150933 343943544 /nfs/dbraw/zinc/94/35/44/343943544.db2.gz XWGSUGGUISYYJE-VXGBXAGGSA-N 2 2 245.326 1.868 20 30 BDEDLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C[NH2+]1 ZINC000600712125 344361803 /nfs/dbraw/zinc/36/18/03/344361803.db2.gz WKTZGAIWMCFUGC-NDBYEHHHSA-N 2 2 221.348 1.799 20 30 BDEDLP CC#CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577086229 365810640 /nfs/dbraw/zinc/81/06/40/365810640.db2.gz MWGJUJQFYRLNDN-NSHDSACASA-N 2 2 203.289 1.233 20 30 BDEDLP CC#CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577086229 365810644 /nfs/dbraw/zinc/81/06/44/365810644.db2.gz MWGJUJQFYRLNDN-NSHDSACASA-N 2 2 203.289 1.233 20 30 BDEDLP Cc1c[nH+]ccc1CC[NH+]=C(N(C)C)N(C)C ZINC000162898072 346541618 /nfs/dbraw/zinc/54/16/18/346541618.db2.gz JHUOUFGAJQYNCA-UHFFFAOYSA-N 2 2 234.347 1.412 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCC#N ZINC000309774139 347160959 /nfs/dbraw/zinc/16/09/59/347160959.db2.gz LFZTYAGUYCCQTM-DGCLKSJQSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCC#N ZINC000309774139 347160964 /nfs/dbraw/zinc/16/09/64/347160964.db2.gz LFZTYAGUYCCQTM-DGCLKSJQSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309976122 347209251 /nfs/dbraw/zinc/20/92/51/347209251.db2.gz SVZRLAYRMPPVCM-AVGNSLFASA-N 2 2 226.364 1.101 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309976122 347209254 /nfs/dbraw/zinc/20/92/54/347209254.db2.gz SVZRLAYRMPPVCM-AVGNSLFASA-N 2 2 226.364 1.101 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309976121 347209359 /nfs/dbraw/zinc/20/93/59/347209359.db2.gz SVZRLAYRMPPVCM-AGIUHOORSA-N 2 2 226.364 1.101 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309976121 347209361 /nfs/dbraw/zinc/20/93/61/347209361.db2.gz SVZRLAYRMPPVCM-AGIUHOORSA-N 2 2 226.364 1.101 20 30 BDEDLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](C)C#N ZINC000120461064 347362452 /nfs/dbraw/zinc/36/24/52/347362452.db2.gz UAMMCZOEVHIJSH-NSHDSACASA-N 2 2 206.293 1.365 20 30 BDEDLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](C)C#N ZINC000120461064 347362454 /nfs/dbraw/zinc/36/24/54/347362454.db2.gz UAMMCZOEVHIJSH-NSHDSACASA-N 2 2 206.293 1.365 20 30 BDEDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000591577347 347677612 /nfs/dbraw/zinc/67/76/12/347677612.db2.gz USRAREVNLFILAQ-LLVKDONJSA-N 2 2 229.327 1.961 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000592291038 347765564 /nfs/dbraw/zinc/76/55/64/347765564.db2.gz OFBLDKFXPLGETN-UHFFFAOYSA-N 2 2 234.347 1.540 20 30 BDEDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccncc1C#N ZINC000592478505 347791413 /nfs/dbraw/zinc/79/14/13/347791413.db2.gz FOPRJFMWBFMTSE-WDEREUQCSA-N 2 2 230.315 1.122 20 30 BDEDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccncc1C#N ZINC000592478505 347791415 /nfs/dbraw/zinc/79/14/15/347791415.db2.gz FOPRJFMWBFMTSE-WDEREUQCSA-N 2 2 230.315 1.122 20 30 BDEDLP COc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1C#N ZINC000594735303 348109869 /nfs/dbraw/zinc/10/98/69/348109869.db2.gz KTASJBQPASKFAV-UHFFFAOYSA-N 2 2 247.342 1.736 20 30 BDEDLP COc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1C#N ZINC000594735303 348109870 /nfs/dbraw/zinc/10/98/70/348109870.db2.gz KTASJBQPASKFAV-UHFFFAOYSA-N 2 2 247.342 1.736 20 30 BDEDLP C=CCCSCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000594960071 348150486 /nfs/dbraw/zinc/15/04/86/348150486.db2.gz JEAAITBKLYPNER-RYUDHWBXSA-N 2 2 228.405 1.835 20 30 BDEDLP C=CCCSCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000594960071 348150488 /nfs/dbraw/zinc/15/04/88/348150488.db2.gz JEAAITBKLYPNER-RYUDHWBXSA-N 2 2 228.405 1.835 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844258 348381988 /nfs/dbraw/zinc/38/19/88/348381988.db2.gz RTWMCMDNWJZRLR-LBPRGKRZSA-N 2 2 218.304 1.427 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844258 348381990 /nfs/dbraw/zinc/38/19/90/348381990.db2.gz RTWMCMDNWJZRLR-LBPRGKRZSA-N 2 2 218.304 1.427 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000595892300 348391023 /nfs/dbraw/zinc/39/10/23/348391023.db2.gz LODJRDRAPNCIHY-CYBMUJFWSA-N 2 2 215.300 1.134 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000595892300 348391024 /nfs/dbraw/zinc/39/10/24/348391024.db2.gz LODJRDRAPNCIHY-CYBMUJFWSA-N 2 2 215.300 1.134 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCCC1 ZINC000596652929 348606881 /nfs/dbraw/zinc/60/68/81/348606881.db2.gz REXCUQRVDHKOFC-VXGBXAGGSA-N 2 2 221.348 1.930 20 30 BDEDLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1C ZINC000597175617 348669488 /nfs/dbraw/zinc/66/94/88/348669488.db2.gz BUAXGQFBIRPLJL-LBPRGKRZSA-N 2 2 232.331 1.854 20 30 BDEDLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CC#N)C2)n1C ZINC000597175617 348669490 /nfs/dbraw/zinc/66/94/90/348669490.db2.gz BUAXGQFBIRPLJL-LBPRGKRZSA-N 2 2 232.331 1.854 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)s1)CC1C[NH+](C)C1 ZINC000597203676 348677707 /nfs/dbraw/zinc/67/77/07/348677707.db2.gz VENYZLDIDHRDHQ-UHFFFAOYSA-N 2 2 235.356 1.613 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)s1)CC1C[NH+](C)C1 ZINC000597203676 348677710 /nfs/dbraw/zinc/67/77/10/348677710.db2.gz VENYZLDIDHRDHQ-UHFFFAOYSA-N 2 2 235.356 1.613 20 30 BDEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598720844 349027615 /nfs/dbraw/zinc/02/76/15/349027615.db2.gz TVXRRSAHVYIFDF-LSDHHAIUSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598720844 349027617 /nfs/dbraw/zinc/02/76/17/349027617.db2.gz TVXRRSAHVYIFDF-LSDHHAIUSA-N 2 2 241.338 1.871 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329724865 350299396 /nfs/dbraw/zinc/29/93/96/350299396.db2.gz BQPFMYUUWCJYMA-IJLUTSLNSA-N 2 2 244.342 1.939 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329724865 350299397 /nfs/dbraw/zinc/29/93/97/350299397.db2.gz BQPFMYUUWCJYMA-IJLUTSLNSA-N 2 2 244.342 1.939 20 30 BDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000336715980 350471199 /nfs/dbraw/zinc/47/11/99/350471199.db2.gz VJORNEMGLIDSBK-LBPRGKRZSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000336715980 350471203 /nfs/dbraw/zinc/47/12/03/350471203.db2.gz VJORNEMGLIDSBK-LBPRGKRZSA-N 2 2 232.331 1.588 20 30 BDEDLP C=CCCCCC[N@@H+](C)Cc1noc(C[NH3+])n1 ZINC000337049846 350546155 /nfs/dbraw/zinc/54/61/55/350546155.db2.gz IVIWCPOKBGKCKW-UHFFFAOYSA-N 2 2 238.335 1.707 20 30 BDEDLP C=CCCCCC[N@H+](C)Cc1noc(C[NH3+])n1 ZINC000337049846 350546159 /nfs/dbraw/zinc/54/61/59/350546159.db2.gz IVIWCPOKBGKCKW-UHFFFAOYSA-N 2 2 238.335 1.707 20 30 BDEDLP N#Cc1ccc(C2CC[NH+](CC[NH3+])CC2)cc1 ZINC000616620379 350939621 /nfs/dbraw/zinc/93/96/21/350939621.db2.gz YJMVLENCOUPTDR-UHFFFAOYSA-N 2 2 229.327 1.696 20 30 BDEDLP N#CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000397762497 350963991 /nfs/dbraw/zinc/96/39/91/350963991.db2.gz LJVKEXONLYLXPG-GFCCVEGCSA-N 2 2 218.304 1.509 20 30 BDEDLP N#CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000397762497 350963993 /nfs/dbraw/zinc/96/39/93/350963993.db2.gz LJVKEXONLYLXPG-GFCCVEGCSA-N 2 2 218.304 1.509 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159673716 350971351 /nfs/dbraw/zinc/97/13/51/350971351.db2.gz KVBNWDPOSKZFQD-AWEZNQCLSA-N 2 2 229.327 1.727 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159673716 350971353 /nfs/dbraw/zinc/97/13/53/350971353.db2.gz KVBNWDPOSKZFQD-AWEZNQCLSA-N 2 2 229.327 1.727 20 30 BDEDLP C=C[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000336729209 351569378 /nfs/dbraw/zinc/56/93/78/351569378.db2.gz HOIOTYONPOHULR-ZDUSSCGKSA-N 2 2 220.316 1.459 20 30 BDEDLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000230639709 352182344 /nfs/dbraw/zinc/18/23/44/352182344.db2.gz KWRFBRXDGNMNMZ-UHFFFAOYSA-N 2 2 235.331 1.971 20 30 BDEDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000230639709 352182346 /nfs/dbraw/zinc/18/23/46/352182346.db2.gz KWRFBRXDGNMNMZ-UHFFFAOYSA-N 2 2 235.331 1.971 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745378 352732174 /nfs/dbraw/zinc/73/21/74/352732174.db2.gz QTSWDXMUOFQWKP-RYUDHWBXSA-N 2 2 223.364 1.856 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000336745378 352732176 /nfs/dbraw/zinc/73/21/76/352732176.db2.gz QTSWDXMUOFQWKP-RYUDHWBXSA-N 2 2 223.364 1.856 20 30 BDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000334407195 353088372 /nfs/dbraw/zinc/08/83/72/353088372.db2.gz HBTJMOUMCWPCMT-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(C#N)CC3)C2)C1 ZINC000334407195 353088373 /nfs/dbraw/zinc/08/83/73/353088373.db2.gz HBTJMOUMCWPCMT-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(C#N)CC3)C2)C1 ZINC000334407195 353088376 /nfs/dbraw/zinc/08/83/76/353088376.db2.gz HBTJMOUMCWPCMT-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(C#N)CC3)C2)C1 ZINC000334407195 353088377 /nfs/dbraw/zinc/08/83/77/353088377.db2.gz HBTJMOUMCWPCMT-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@H](C)O)C(C)C ZINC000577859534 366087010 /nfs/dbraw/zinc/08/70/10/366087010.db2.gz DFVLMVHGRAJTBB-KBPBESRZSA-N 2 2 240.391 1.655 20 30 BDEDLP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399003496 353551775 /nfs/dbraw/zinc/55/17/75/353551775.db2.gz UZJPOCGJOJRBPH-CYZMBNFOSA-N 2 2 242.326 1.435 20 30 BDEDLP CC[NH+]1CCC([N@H+](C)CC2(C#N)CC2)CC1 ZINC000343314812 353634502 /nfs/dbraw/zinc/63/45/02/353634502.db2.gz ODPFWIXCZPJKPY-UHFFFAOYSA-N 2 2 221.348 1.706 20 30 BDEDLP CC[NH+]1CCC([N@@H+](C)CC2(C#N)CC2)CC1 ZINC000343314812 353634503 /nfs/dbraw/zinc/63/45/03/353634503.db2.gz ODPFWIXCZPJKPY-UHFFFAOYSA-N 2 2 221.348 1.706 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000344269694 354187222 /nfs/dbraw/zinc/18/72/22/354187222.db2.gz CEVIGLVCPUXVCP-JSGCOSHPSA-N 2 2 237.391 1.177 20 30 BDEDLP C=CCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000344581639 354310907 /nfs/dbraw/zinc/31/09/07/354310907.db2.gz LMTDYPDKEQFOHJ-UHFFFAOYSA-N 2 2 248.374 1.504 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000346572790 354972942 /nfs/dbraw/zinc/97/29/42/354972942.db2.gz YIFNQQRAKYUCBM-JSGCOSHPSA-N 2 2 238.375 1.794 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333766722 134130100 /nfs/dbraw/zinc/13/01/00/134130100.db2.gz WXOPUOFVXRSGKF-JHJVBQTASA-N 2 2 244.342 1.870 20 30 BDEDLP N#Cc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000223524401 356667758 /nfs/dbraw/zinc/66/77/58/356667758.db2.gz CWJZZPPLLQDVGR-STQMWFEESA-N 2 2 245.301 1.349 20 30 BDEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769343 356708589 /nfs/dbraw/zinc/70/85/89/356708589.db2.gz XWZREXDQSYBWRP-KBPBESRZSA-N 2 2 238.375 1.177 20 30 BDEDLP CCC#C[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769343 356708591 /nfs/dbraw/zinc/70/85/91/356708591.db2.gz XWZREXDQSYBWRP-KBPBESRZSA-N 2 2 238.375 1.177 20 30 BDEDLP C=CC[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000628406188 357201475 /nfs/dbraw/zinc/20/14/75/357201475.db2.gz DLVQGIPSFDXNPN-GFCCVEGCSA-N 2 2 248.374 1.884 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000177906069 134301925 /nfs/dbraw/zinc/30/19/25/134301925.db2.gz QUVXQRYSNCVBCS-CHWSQXEVSA-N 2 2 238.375 1.651 20 30 BDEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC#N)C1 ZINC000579344996 366764143 /nfs/dbraw/zinc/76/41/43/366764143.db2.gz OKOKWJTUXGZGJU-CYBMUJFWSA-N 2 2 223.364 1.858 20 30 BDEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC#N)C1 ZINC000579344996 366764148 /nfs/dbraw/zinc/76/41/48/366764148.db2.gz OKOKWJTUXGZGJU-CYBMUJFWSA-N 2 2 223.364 1.858 20 30 BDEDLP C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619717374 369547194 /nfs/dbraw/zinc/54/71/94/369547194.db2.gz FKLHAQGAOBJTDW-NEPJUHHUSA-N 2 2 249.314 1.248 20 30 BDEDLP C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619717374 369547198 /nfs/dbraw/zinc/54/71/98/369547198.db2.gz FKLHAQGAOBJTDW-NEPJUHHUSA-N 2 2 249.314 1.248 20 30 BDEDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000600769573 369562785 /nfs/dbraw/zinc/56/27/85/369562785.db2.gz OVMBNPXYDAHVQC-BXKDBHETSA-N 2 2 219.288 1.239 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000600769599 369563904 /nfs/dbraw/zinc/56/39/04/369563904.db2.gz PGRRYXZCHLTKTM-NSHDSACASA-N 2 2 245.326 1.916 20 30 BDEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623838416 371120886 /nfs/dbraw/zinc/12/08/86/371120886.db2.gz UKPKCRFRSHBJSK-IHRRRGAJSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623838416 371120889 /nfs/dbraw/zinc/12/08/89/371120889.db2.gz UKPKCRFRSHBJSK-IHRRRGAJSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334533 371485683 /nfs/dbraw/zinc/48/56/83/371485683.db2.gz BSZWBHZDSPBTPB-UPJWGTAASA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334533 371485686 /nfs/dbraw/zinc/48/56/86/371485686.db2.gz BSZWBHZDSPBTPB-UPJWGTAASA-N 2 2 226.364 1.243 20 30 BDEDLP N#Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000229748936 372189826 /nfs/dbraw/zinc/18/98/26/372189826.db2.gz AXOMTSNEXOTWDD-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP N#Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000229748936 372189828 /nfs/dbraw/zinc/18/98/28/372189828.db2.gz AXOMTSNEXOTWDD-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424201453 206034633 /nfs/dbraw/zinc/03/46/33/206034633.db2.gz RYWPWTXYKISIQO-WRWGMCAJSA-N 2 2 207.321 1.218 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424201453 206034635 /nfs/dbraw/zinc/03/46/35/206034635.db2.gz RYWPWTXYKISIQO-WRWGMCAJSA-N 2 2 207.321 1.218 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569568926 384257898 /nfs/dbraw/zinc/25/78/98/384257898.db2.gz SLSDOFFSRIOMHL-RDBSUJKOSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569568926 384257901 /nfs/dbraw/zinc/25/79/01/384257901.db2.gz SLSDOFFSRIOMHL-RDBSUJKOSA-N 2 2 246.358 1.646 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000647181276 384549340 /nfs/dbraw/zinc/54/93/40/384549340.db2.gz SYOALMJUQNZZJA-DGCLKSJQSA-N 2 2 224.348 1.404 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000363473181 384609562 /nfs/dbraw/zinc/60/95/62/384609562.db2.gz ZAIVMDXTDWMPQH-CYBMUJFWSA-N 2 2 231.343 1.698 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000363473181 384609570 /nfs/dbraw/zinc/60/95/70/384609570.db2.gz ZAIVMDXTDWMPQH-CYBMUJFWSA-N 2 2 231.343 1.698 20 30 BDEDLP C=C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000297555435 384837198 /nfs/dbraw/zinc/83/71/98/384837198.db2.gz BWDHYBGGZSLTDF-UHFFFAOYSA-N 2 2 205.305 1.615 20 30 BDEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000192608832 385365073 /nfs/dbraw/zinc/36/50/73/385365073.db2.gz FJILNAPDQUHVRE-STQMWFEESA-N 2 2 221.348 1.754 20 30 BDEDLP CC(C)(C)NC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905248 385454852 /nfs/dbraw/zinc/45/48/52/385454852.db2.gz VQSNVXJPSGVMCT-UHFFFAOYSA-N 2 2 249.362 1.586 20 30 BDEDLP O=C(NCc1[nH]cc[nH+]1)C1CC[NH+](C2CC2)CC1 ZINC000328772944 386619942 /nfs/dbraw/zinc/61/99/42/386619942.db2.gz RPOVUAOKXDEPDI-UHFFFAOYSA-N 2 2 248.330 1.741 20 30 BDEDLP Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399514742 386931026 /nfs/dbraw/zinc/93/10/26/386931026.db2.gz OOLYWMRFSVKGSN-GFCCVEGCSA-N 2 2 246.358 1.824 20 30 BDEDLP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399514742 386931031 /nfs/dbraw/zinc/93/10/31/386931031.db2.gz OOLYWMRFSVKGSN-GFCCVEGCSA-N 2 2 246.358 1.824 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834988 386933791 /nfs/dbraw/zinc/93/37/91/386933791.db2.gz PTSCZRUPTUWMFD-GFJIZPEISA-N 2 2 235.375 1.856 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834988 386933792 /nfs/dbraw/zinc/93/37/92/386933792.db2.gz PTSCZRUPTUWMFD-GFJIZPEISA-N 2 2 235.375 1.856 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024876 387116108 /nfs/dbraw/zinc/11/61/08/387116108.db2.gz HNRTTWVAKMXTKH-HZMBPMFUSA-N 2 2 247.317 1.785 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C#N)CCC#N ZINC000572393340 387382167 /nfs/dbraw/zinc/38/21/67/387382167.db2.gz GEPMYTWFTLWVLZ-NEPJUHHUSA-N 2 2 231.303 1.305 20 30 BDEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423522392 387353687 /nfs/dbraw/zinc/35/36/87/387353687.db2.gz LYCHBDCEGIBUFP-VXGBXAGGSA-N 2 2 212.337 1.309 20 30 BDEDLP C#CC[NH+](CC)[C@@H](C)CC[N@@H+](CC)CC#C ZINC000269324023 387420455 /nfs/dbraw/zinc/42/04/55/387420455.db2.gz NWWHZJLTKRCWGS-AWEZNQCLSA-N 2 2 220.360 1.675 20 30 BDEDLP C#CC[NH+](CC)[C@@H](C)CC[N@H+](CC)CC#C ZINC000269324023 387420461 /nfs/dbraw/zinc/42/04/61/387420461.db2.gz NWWHZJLTKRCWGS-AWEZNQCLSA-N 2 2 220.360 1.675 20 30 BDEDLP C#CC[NH+](CC)CC[C@H](C)[N@H+](CC)CC#C ZINC000269324023 387420463 /nfs/dbraw/zinc/42/04/63/387420463.db2.gz NWWHZJLTKRCWGS-AWEZNQCLSA-N 2 2 220.360 1.675 20 30 BDEDLP C#CC[NH+](CC)CC[C@H](C)[N@@H+](CC)CC#C ZINC000269324023 387420468 /nfs/dbraw/zinc/42/04/68/387420468.db2.gz NWWHZJLTKRCWGS-AWEZNQCLSA-N 2 2 220.360 1.675 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000327980310 387601988 /nfs/dbraw/zinc/60/19/88/387601988.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000327980310 387601992 /nfs/dbraw/zinc/60/19/92/387601992.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980310 387601996 /nfs/dbraw/zinc/60/19/96/387601996.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 3 2 237.391 1.014 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980310 387602000 /nfs/dbraw/zinc/60/20/00/387602000.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 3 2 237.391 1.014 20 30 BDEDLP COCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442775096 387836820 /nfs/dbraw/zinc/83/68/20/387836820.db2.gz BJXQERBVPYOSPZ-OLZOCXBDSA-N 2 2 239.363 1.237 20 30 BDEDLP COCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442775096 387836823 /nfs/dbraw/zinc/83/68/23/387836823.db2.gz BJXQERBVPYOSPZ-OLZOCXBDSA-N 2 2 239.363 1.237 20 30 BDEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000582660205 387868285 /nfs/dbraw/zinc/86/82/85/387868285.db2.gz ARAGCYZFWZEXSZ-MELADBBJSA-N 2 2 248.374 1.892 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423151600 387929946 /nfs/dbraw/zinc/92/99/46/387929946.db2.gz KDHJDWLMMGZTEF-STQMWFEESA-N 2 2 238.375 1.555 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311108046 388673512 /nfs/dbraw/zinc/67/35/12/388673512.db2.gz REXBLNXVVOBQLY-GJZGRUSLSA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311108046 388673515 /nfs/dbraw/zinc/67/35/15/388673515.db2.gz REXBLNXVVOBQLY-GJZGRUSLSA-N 2 2 241.338 1.742 20 30 BDEDLP Cn1c[nH+]c(CC[NH2+]Cc2cccc(C#N)c2)c1 ZINC000313262889 388682431 /nfs/dbraw/zinc/68/24/31/388682431.db2.gz BZPRRZQKSJVGJD-UHFFFAOYSA-N 2 2 240.310 1.624 20 30 BDEDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423246537 388689044 /nfs/dbraw/zinc/68/90/44/388689044.db2.gz NSNZUKPEKZJLAK-JTQLQIEISA-N 2 2 235.306 1.957 20 30 BDEDLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(C#N)cc1 ZINC000423242829 388689426 /nfs/dbraw/zinc/68/94/26/388689426.db2.gz JJMHVDFLUKTVKH-CYBMUJFWSA-N 2 2 217.316 1.818 20 30 BDEDLP CC[NH2+]CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423236642 388689488 /nfs/dbraw/zinc/68/94/88/388689488.db2.gz OTUPRFXENXIGGT-AWEZNQCLSA-N 2 2 229.327 1.745 20 30 BDEDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423224622 388690195 /nfs/dbraw/zinc/69/01/95/388690195.db2.gz JPCPODULDKYMHE-JTQLQIEISA-N 2 2 203.289 1.428 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423340838 388690826 /nfs/dbraw/zinc/69/08/26/388690826.db2.gz XQCXDOMZWWLJFJ-ZJUUUORDSA-N 2 2 203.289 1.556 20 30 BDEDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423378354 388692484 /nfs/dbraw/zinc/69/24/84/388692484.db2.gz WNSCXLBNTGPSFF-IUCAKERBSA-N 2 2 221.279 1.695 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000248919878 388699964 /nfs/dbraw/zinc/69/99/64/388699964.db2.gz DXRSGOYNEZZVKC-OLZOCXBDSA-N 2 2 228.380 1.491 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000248919878 388699967 /nfs/dbraw/zinc/69/99/67/388699967.db2.gz DXRSGOYNEZZVKC-OLZOCXBDSA-N 2 2 228.380 1.491 20 30 BDEDLP C=CCCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273556063 132305909 /nfs/dbraw/zinc/30/59/09/132305909.db2.gz CQFRSZQWEAQIIM-UHFFFAOYSA-N 2 2 246.358 1.873 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000361466979 134205617 /nfs/dbraw/zinc/20/56/17/134205617.db2.gz SILHDSCPGNSIPS-FRRDWIJNSA-N 2 2 233.359 1.895 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000361466979 134205618 /nfs/dbraw/zinc/20/56/18/134205618.db2.gz SILHDSCPGNSIPS-FRRDWIJNSA-N 2 2 233.359 1.895 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)CC#N ZINC000063095844 134395903 /nfs/dbraw/zinc/39/59/03/134395903.db2.gz SSDPLXSHBOFNMB-SNVBAGLBSA-N 2 2 206.293 1.426 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)CC#N ZINC000063095844 134395905 /nfs/dbraw/zinc/39/59/05/134395905.db2.gz SSDPLXSHBOFNMB-SNVBAGLBSA-N 2 2 206.293 1.426 20 30 BDEDLP CCCCC(N)=[NH+]OCc1c[nH+]cn1C ZINC000267786438 135156243 /nfs/dbraw/zinc/15/62/43/135156243.db2.gz OSDXVJGXURJZDZ-UHFFFAOYSA-N 2 2 210.281 1.399 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000295125778 135378030 /nfs/dbraw/zinc/37/80/30/135378030.db2.gz ZFAUFJZQUUCONJ-LLVKDONJSA-N 2 2 220.320 1.015 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000295125778 135378032 /nfs/dbraw/zinc/37/80/32/135378032.db2.gz ZFAUFJZQUUCONJ-LLVKDONJSA-N 2 2 220.320 1.015 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537982 397920222 /nfs/dbraw/zinc/92/02/22/397920222.db2.gz WACBRIFKIXWJDB-BJDJZHNGSA-N 2 2 214.328 1.877 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537984 397920276 /nfs/dbraw/zinc/92/02/76/397920276.db2.gz WACBRIFKIXWJDB-USZNOCQGSA-N 2 2 214.328 1.877 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590552 411426881 /nfs/dbraw/zinc/42/68/81/411426881.db2.gz IZOHCJZTQGCTOK-NWDGAFQWSA-N 2 2 235.331 1.146 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590552 411426884 /nfs/dbraw/zinc/42/68/84/411426884.db2.gz IZOHCJZTQGCTOK-NWDGAFQWSA-N 2 2 235.331 1.146 20 30 BDEDLP C=C(C)COCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657398394 411495552 /nfs/dbraw/zinc/49/55/52/411495552.db2.gz KIIZRPIHXHEQPM-UHFFFAOYSA-N 2 2 235.331 1.512 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000328534627 170012366 /nfs/dbraw/zinc/01/23/66/170012366.db2.gz ZNVCZNJHNOIPCX-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000328534627 170012367 /nfs/dbraw/zinc/01/23/67/170012367.db2.gz ZNVCZNJHNOIPCX-CQSZACIVSA-N 2 2 229.327 1.742 20 30 BDEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)COC ZINC000661242693 411743835 /nfs/dbraw/zinc/74/38/35/411743835.db2.gz SFNNYQXFFQRRIE-ZDUSSCGKSA-N 2 2 237.347 1.796 20 30 BDEDLP C=CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)COC ZINC000661242693 411743839 /nfs/dbraw/zinc/74/38/39/411743839.db2.gz SFNNYQXFFQRRIE-ZDUSSCGKSA-N 2 2 237.347 1.796 20 30 BDEDLP C=CC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000662714583 412281594 /nfs/dbraw/zinc/28/15/94/412281594.db2.gz JEDGCWCGLKWCPZ-AWEZNQCLSA-N 2 2 245.326 1.449 20 30 BDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769189 173142004 /nfs/dbraw/zinc/14/20/04/173142004.db2.gz KGRGYMRUFOTACT-CQSZACIVSA-N 2 2 245.326 1.679 20 30 BDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769189 173142006 /nfs/dbraw/zinc/14/20/06/173142006.db2.gz KGRGYMRUFOTACT-CQSZACIVSA-N 2 2 245.326 1.679 20 30 BDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769189 173142008 /nfs/dbraw/zinc/14/20/08/173142008.db2.gz KGRGYMRUFOTACT-CQSZACIVSA-N 2 2 245.326 1.679 20 30 BDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000292769189 173142011 /nfs/dbraw/zinc/14/20/11/173142011.db2.gz KGRGYMRUFOTACT-CQSZACIVSA-N 2 2 245.326 1.679 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000536069128 323195787 /nfs/dbraw/zinc/19/57/87/323195787.db2.gz UJPOXJHBXZJHNE-LBPRGKRZSA-N 2 2 232.331 1.903 20 30 BDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000536069128 323195788 /nfs/dbraw/zinc/19/57/88/323195788.db2.gz UJPOXJHBXZJHNE-LBPRGKRZSA-N 2 2 232.331 1.903 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568249327 326334793 /nfs/dbraw/zinc/33/47/93/326334793.db2.gz NNYMWAKFWJKPSV-TZMCWYRMSA-N 3 2 237.391 1.496 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000491714713 488038337 /nfs/dbraw/zinc/03/83/37/488038337.db2.gz HHALNZDVFBJRAE-ZDUSSCGKSA-N 2 2 248.374 1.416 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000491714713 488038342 /nfs/dbraw/zinc/03/83/42/488038342.db2.gz HHALNZDVFBJRAE-ZDUSSCGKSA-N 2 2 248.374 1.416 20 30 BDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC#CCOC)C1 ZINC000677479871 488049815 /nfs/dbraw/zinc/04/98/15/488049815.db2.gz QGTURSZWBNPBIE-CQSZACIVSA-N 2 2 238.375 1.300 20 30 BDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC#CCOC)C1 ZINC000677479871 488049823 /nfs/dbraw/zinc/04/98/23/488049823.db2.gz QGTURSZWBNPBIE-CQSZACIVSA-N 2 2 238.375 1.300 20 30 BDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC#CCOC)C1 ZINC000677479871 488049828 /nfs/dbraw/zinc/04/98/28/488049828.db2.gz QGTURSZWBNPBIE-CQSZACIVSA-N 2 2 238.375 1.300 20 30 BDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC000677479871 488049835 /nfs/dbraw/zinc/04/98/35/488049835.db2.gz QGTURSZWBNPBIE-CQSZACIVSA-N 2 2 238.375 1.300 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCOC)C[C@@H]1C ZINC000677820497 487519625 /nfs/dbraw/zinc/51/96/25/487519625.db2.gz PITZXYVQKPGEFJ-UONOGXRCSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCOC)C[C@@H]1C ZINC000677820497 487519627 /nfs/dbraw/zinc/51/96/27/487519627.db2.gz PITZXYVQKPGEFJ-UONOGXRCSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCOC)C[C@@H]1C ZINC000677820497 487519629 /nfs/dbraw/zinc/51/96/29/487519629.db2.gz PITZXYVQKPGEFJ-UONOGXRCSA-N 2 2 238.375 1.441 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCOC)C[C@@H]1C ZINC000677820497 487519633 /nfs/dbraw/zinc/51/96/33/487519633.db2.gz PITZXYVQKPGEFJ-UONOGXRCSA-N 2 2 238.375 1.441 20 30 BDEDLP C=C(CC)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000358500896 534395235 /nfs/dbraw/zinc/39/52/35/534395235.db2.gz RJBOHUVNTTXZGI-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C=C(CC)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000358500896 534395240 /nfs/dbraw/zinc/39/52/40/534395240.db2.gz RJBOHUVNTTXZGI-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C=CCC(C)(C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000261555224 534553210 /nfs/dbraw/zinc/55/32/10/534553210.db2.gz PNBUWBBSLOVXIN-STQMWFEESA-N 2 2 240.391 1.945 20 30 BDEDLP CCCCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000104348842 582946115 /nfs/dbraw/zinc/94/61/15/582946115.db2.gz ZCOTYGWTMDISBQ-LBPRGKRZSA-N 2 2 214.353 1.616 20 30 BDEDLP CCCCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000104348842 582946121 /nfs/dbraw/zinc/94/61/21/582946121.db2.gz ZCOTYGWTMDISBQ-LBPRGKRZSA-N 2 2 214.353 1.616 20 30 BDEDLP C#CCCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000878516738 583378921 /nfs/dbraw/zinc/37/89/21/583378921.db2.gz FRAAJGXOKCQRMX-UHFFFAOYSA-N 2 2 246.358 1.725 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000872140296 583947774 /nfs/dbraw/zinc/94/77/74/583947774.db2.gz IRMRQNMWDNYZEU-XUXIUFHCSA-N 2 2 220.360 1.718 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000872140296 583947776 /nfs/dbraw/zinc/94/77/76/583947776.db2.gz IRMRQNMWDNYZEU-XUXIUFHCSA-N 2 2 220.360 1.718 20 30 BDEDLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902728510 584661798 /nfs/dbraw/zinc/66/17/98/584661798.db2.gz VNWBYPCEYBCRNG-LLVKDONJSA-N 2 2 244.342 1.698 20 30 BDEDLP C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C[NH+](C)C ZINC000902998516 584714947 /nfs/dbraw/zinc/71/49/47/584714947.db2.gz FJBNCXJGGAJPLP-NEPJUHHUSA-N 2 2 246.358 1.802 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H]2CCC[C@H]21 ZINC000903105398 584728045 /nfs/dbraw/zinc/72/80/45/584728045.db2.gz CASJXEGMWNABJG-RWMBFGLXSA-N 2 2 233.359 1.753 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H]2CCC[C@H]21 ZINC000903105398 584728047 /nfs/dbraw/zinc/72/80/47/584728047.db2.gz CASJXEGMWNABJG-RWMBFGLXSA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000903299711 584743962 /nfs/dbraw/zinc/74/39/62/584743962.db2.gz DCNBGJPHYFVFBC-DDHJBXDOSA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1C ZINC000903299711 584743964 /nfs/dbraw/zinc/74/39/64/584743964.db2.gz DCNBGJPHYFVFBC-DDHJBXDOSA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1C ZINC000903299718 584744197 /nfs/dbraw/zinc/74/41/97/584744197.db2.gz DCNBGJPHYFVFBC-WRWGMCAJSA-N 2 2 207.321 1.361 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1C ZINC000903299718 584744199 /nfs/dbraw/zinc/74/41/99/584744199.db2.gz DCNBGJPHYFVFBC-WRWGMCAJSA-N 2 2 207.321 1.361 20 30 BDEDLP N#C[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903786539 584800172 /nfs/dbraw/zinc/80/01/72/584800172.db2.gz LLVOJERZXFTIBY-OLZOCXBDSA-N 2 2 221.348 1.612 20 30 BDEDLP N#C[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903786539 584800174 /nfs/dbraw/zinc/80/01/74/584800174.db2.gz LLVOJERZXFTIBY-OLZOCXBDSA-N 2 2 221.348 1.612 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903852787 584808023 /nfs/dbraw/zinc/80/80/23/584808023.db2.gz BKJYUAIHXIZNOZ-GJZGRUSLSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903852787 584808024 /nfs/dbraw/zinc/80/80/24/584808024.db2.gz BKJYUAIHXIZNOZ-GJZGRUSLSA-N 2 2 241.338 1.871 20 30 BDEDLP C[C@@]1(C[N@@H+]2CCC[C@H](C#N)C2)CC[NH2+]C1 ZINC000903987838 584835962 /nfs/dbraw/zinc/83/59/62/584835962.db2.gz KYTIMYNUPGJNPK-VXGBXAGGSA-N 2 2 207.321 1.222 20 30 BDEDLP C[C@@]1(C[N@H+]2CCC[C@H](C#N)C2)CC[NH2+]C1 ZINC000903987838 584835963 /nfs/dbraw/zinc/83/59/63/584835963.db2.gz KYTIMYNUPGJNPK-VXGBXAGGSA-N 2 2 207.321 1.222 20 30 BDEDLP C#C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000839020856 585087797 /nfs/dbraw/zinc/08/77/97/585087797.db2.gz KAJYAHPPRKTTFZ-GJZGRUSLSA-N 2 2 248.370 1.384 20 30 BDEDLP C[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000741386906 585113287 /nfs/dbraw/zinc/11/32/87/585113287.db2.gz NIKMBDSEWUTMDS-ZIAGYGMSSA-N 2 2 248.374 1.704 20 30 BDEDLP C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000741386906 585113288 /nfs/dbraw/zinc/11/32/88/585113288.db2.gz NIKMBDSEWUTMDS-ZIAGYGMSSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@@H](C#N)CCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000741386906 585113289 /nfs/dbraw/zinc/11/32/89/585113289.db2.gz NIKMBDSEWUTMDS-ZIAGYGMSSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@@H](C#N)CCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741386906 585113290 /nfs/dbraw/zinc/11/32/90/585113290.db2.gz NIKMBDSEWUTMDS-ZIAGYGMSSA-N 2 2 248.374 1.704 20 30 BDEDLP C#CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761116286 585410647 /nfs/dbraw/zinc/41/06/47/585410647.db2.gz AKDPKIWBJVSHKD-UHFFFAOYSA-N 2 2 229.327 1.981 20 30 BDEDLP C#C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000775796483 585685247 /nfs/dbraw/zinc/68/52/47/585685247.db2.gz YQAKDOULMBXCNL-OLZOCXBDSA-N 2 2 233.315 1.044 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000801933975 586278853 /nfs/dbraw/zinc/27/88/53/586278853.db2.gz XCZQRGWCZNEUKW-NWDGAFQWSA-N 2 2 248.330 1.518 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000801933975 586278855 /nfs/dbraw/zinc/27/88/55/586278855.db2.gz XCZQRGWCZNEUKW-NWDGAFQWSA-N 2 2 248.330 1.518 20 30 BDEDLP C=CCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000849017525 588437779 /nfs/dbraw/zinc/43/77/79/588437779.db2.gz MCGLZHVZVVJJMF-UHFFFAOYSA-N 2 2 243.314 1.405 20 30 BDEDLP C#CCOCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000851803567 588631371 /nfs/dbraw/zinc/63/13/71/588631371.db2.gz RVDNVQJWIXOFAH-UHFFFAOYSA-N 2 2 233.315 1.239 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000852762407 588700944 /nfs/dbraw/zinc/70/09/44/588700944.db2.gz MPMGSEKDTFVJAQ-NSHDSACASA-N 2 2 217.316 1.380 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000852762407 588700945 /nfs/dbraw/zinc/70/09/45/588700945.db2.gz MPMGSEKDTFVJAQ-NSHDSACASA-N 2 2 217.316 1.380 20 30 BDEDLP C[C@@H]([NH3+])C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000852762406 588701071 /nfs/dbraw/zinc/70/10/71/588701071.db2.gz MPMGSEKDTFVJAQ-LLVKDONJSA-N 2 2 217.316 1.380 20 30 BDEDLP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000852762406 588701072 /nfs/dbraw/zinc/70/10/72/588701072.db2.gz MPMGSEKDTFVJAQ-LLVKDONJSA-N 2 2 217.316 1.380 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000883390294 591641644 /nfs/dbraw/zinc/64/16/44/591641644.db2.gz JBZPZHWTIVTIHO-FRRDWIJNSA-N 2 2 238.375 1.528 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000883390294 591641648 /nfs/dbraw/zinc/64/16/48/591641648.db2.gz JBZPZHWTIVTIHO-FRRDWIJNSA-N 2 2 238.375 1.528 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)noc1C ZINC000327994573 633213504 /nfs/dbraw/zinc/21/35/04/633213504.db2.gz MCJPETYKPXLISC-UHFFFAOYSA-N 2 2 235.331 1.336 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)noc1C ZINC000327994573 633213507 /nfs/dbraw/zinc/21/35/07/633213507.db2.gz MCJPETYKPXLISC-UHFFFAOYSA-N 2 2 235.331 1.336 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)o1 ZINC000328207813 633743323 /nfs/dbraw/zinc/74/33/23/633743323.db2.gz VLQRBBFNVCSYHP-UHFFFAOYSA-N 2 2 220.316 1.633 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)o1 ZINC000328207813 633743326 /nfs/dbraw/zinc/74/33/26/633743326.db2.gz VLQRBBFNVCSYHP-UHFFFAOYSA-N 2 2 220.316 1.633 20 30 BDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000925815707 635381653 /nfs/dbraw/zinc/38/16/53/635381653.db2.gz YSJZKQPYDYWFMH-QWHCGFSZSA-N 2 2 233.290 1.667 20 30 BDEDLP CCC#C[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278702 640130419 /nfs/dbraw/zinc/13/04/19/640130419.db2.gz LPYSIEGPAMRMLP-NDBYEHHHSA-N 2 2 206.333 1.280 20 30 BDEDLP CCC#C[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278702 640130425 /nfs/dbraw/zinc/13/04/25/640130425.db2.gz LPYSIEGPAMRMLP-NDBYEHHHSA-N 2 2 206.333 1.280 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069627066 642886090 /nfs/dbraw/zinc/88/60/90/642886090.db2.gz SNMFZNAQZONFGG-VHSXEESVSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069627066 642886093 /nfs/dbraw/zinc/88/60/93/642886093.db2.gz SNMFZNAQZONFGG-VHSXEESVSA-N 2 2 202.729 1.798 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](CC[NH2+]C)C(C)C ZINC000923433157 644426502 /nfs/dbraw/zinc/42/65/02/644426502.db2.gz ONKDOBVYQUSEBU-GFCCVEGCSA-N 2 2 214.353 1.243 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](CC[NH2+]C)C(C)C ZINC000923433157 644426505 /nfs/dbraw/zinc/42/65/05/644426505.db2.gz ONKDOBVYQUSEBU-GFCCVEGCSA-N 2 2 214.353 1.243 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530455 644486666 /nfs/dbraw/zinc/48/66/66/644486666.db2.gz IXWRDGZQYTYKTD-UONOGXRCSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530455 644486671 /nfs/dbraw/zinc/48/66/71/644486671.db2.gz IXWRDGZQYTYKTD-UONOGXRCSA-N 2 2 238.375 1.532 20 30 BDEDLP CC(C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000303706360 644838754 /nfs/dbraw/zinc/83/87/54/644838754.db2.gz LNRYQEDWLUMCQQ-ZDUSSCGKSA-N 2 2 248.374 1.602 20 30 BDEDLP C=CCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925633540 646377621 /nfs/dbraw/zinc/37/76/21/646377621.db2.gz FDCOFSYWAMHQJG-NEPJUHHUSA-N 2 2 212.337 1.309 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178060122 711674418 /nfs/dbraw/zinc/67/44/18/711674418.db2.gz NOFGQJHSHURCCL-NWDGAFQWSA-N 2 2 206.333 1.615 20 30 BDEDLP C#CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178060122 711674419 /nfs/dbraw/zinc/67/44/19/711674419.db2.gz NOFGQJHSHURCCL-NWDGAFQWSA-N 2 2 206.333 1.615 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000710026906 712242298 /nfs/dbraw/zinc/24/22/98/712242298.db2.gz ILJYUNFXNMNJGQ-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000710026906 712242303 /nfs/dbraw/zinc/24/23/03/712242303.db2.gz ILJYUNFXNMNJGQ-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OC)n1 ZINC000385546583 711014160 /nfs/dbraw/zinc/01/41/60/711014160.db2.gz VWSIGXDJBIQGLM-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OC)n1 ZINC000385546583 711014166 /nfs/dbraw/zinc/01/41/66/711014166.db2.gz VWSIGXDJBIQGLM-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)(C)C ZINC000719170947 712799550 /nfs/dbraw/zinc/79/95/50/712799550.db2.gz HTCOPHCHUMSIMH-LBPRGKRZSA-N 2 2 231.343 1.967 20 30 BDEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCC#N ZINC000720354110 712833099 /nfs/dbraw/zinc/83/30/99/712833099.db2.gz XBHNKBSSEVVBGV-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCC#N ZINC000720354110 712833100 /nfs/dbraw/zinc/83/31/00/712833100.db2.gz XBHNKBSSEVVBGV-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCC#N ZINC000720354110 712833101 /nfs/dbraw/zinc/83/31/01/712833101.db2.gz XBHNKBSSEVVBGV-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCCC#N ZINC000720354110 712833102 /nfs/dbraw/zinc/83/31/02/712833102.db2.gz XBHNKBSSEVVBGV-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001252602337 968859624 /nfs/dbraw/zinc/85/96/24/968859624.db2.gz QGDKLIISRNOVMH-MELADBBJSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001252602337 968859627 /nfs/dbraw/zinc/85/96/27/968859627.db2.gz QGDKLIISRNOVMH-MELADBBJSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252602337 968859630 /nfs/dbraw/zinc/85/96/30/968859630.db2.gz QGDKLIISRNOVMH-MELADBBJSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252602337 968859633 /nfs/dbraw/zinc/85/96/33/968859633.db2.gz QGDKLIISRNOVMH-MELADBBJSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209163765 969357146 /nfs/dbraw/zinc/35/71/46/969357146.db2.gz KTKMSRUAOQTTMN-STQMWFEESA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209163765 969357153 /nfs/dbraw/zinc/35/71/53/969357153.db2.gz KTKMSRUAOQTTMN-STQMWFEESA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209163765 969357160 /nfs/dbraw/zinc/35/71/60/969357160.db2.gz KTKMSRUAOQTTMN-STQMWFEESA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCOC1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC001173314550 975299135 /nfs/dbraw/zinc/29/91/35/975299135.db2.gz SIUNMPMMGCSGEH-UHFFFAOYSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CCCCC[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236085737 979373317 /nfs/dbraw/zinc/37/33/17/979373317.db2.gz VMDDBPTXOPNUKL-LBPRGKRZSA-N 2 2 226.364 1.999 20 30 BDEDLP C=CCCCC[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236085737 979373323 /nfs/dbraw/zinc/37/33/23/979373323.db2.gz VMDDBPTXOPNUKL-LBPRGKRZSA-N 2 2 226.364 1.999 20 30 BDEDLP C=CCCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220484732 972232777 /nfs/dbraw/zinc/23/27/77/972232777.db2.gz REQZFJLBVKPWIB-ZDUSSCGKSA-N 2 2 247.342 1.341 20 30 BDEDLP CN(CCC[NH+](C)C)c1cc(CC#N)cc[nH+]1 ZINC001163598440 965470982 /nfs/dbraw/zinc/47/09/82/965470982.db2.gz WIPLSQSTOOGGRY-UHFFFAOYSA-N 2 2 232.331 1.536 20 30 BDEDLP N#Cc1ccnc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206182632 968117193 /nfs/dbraw/zinc/11/71/93/968117193.db2.gz CLJUFFITEXZQTC-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccnc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206182632 968117210 /nfs/dbraw/zinc/11/72/10/968117210.db2.gz CLJUFFITEXZQTC-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccn1 ZINC001206195967 968125091 /nfs/dbraw/zinc/12/50/91/968125091.db2.gz AHQQOVWEMVIKKH-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccn1 ZINC001206195967 968125103 /nfs/dbraw/zinc/12/51/03/968125103.db2.gz AHQQOVWEMVIKKH-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP C#CCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336270 968217851 /nfs/dbraw/zinc/21/78/51/968217851.db2.gz KSMTZZRBKWIRAZ-GFCCVEGCSA-N 2 2 212.312 1.553 20 30 BDEDLP C#CCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336270 968217860 /nfs/dbraw/zinc/21/78/60/968217860.db2.gz KSMTZZRBKWIRAZ-GFCCVEGCSA-N 2 2 212.312 1.553 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001252579542 968832857 /nfs/dbraw/zinc/83/28/57/968832857.db2.gz MPLXBCFYYSAIMW-QWHCGFSZSA-N 2 2 226.364 1.243 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001252579542 968832864 /nfs/dbraw/zinc/83/28/64/968832864.db2.gz MPLXBCFYYSAIMW-QWHCGFSZSA-N 2 2 226.364 1.243 20 30 BDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001252579547 968833293 /nfs/dbraw/zinc/83/32/93/968833293.db2.gz MPLXBCFYYSAIMW-STQMWFEESA-N 2 2 226.364 1.243 20 30 BDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001252579547 968833295 /nfs/dbraw/zinc/83/32/95/968833295.db2.gz MPLXBCFYYSAIMW-STQMWFEESA-N 2 2 226.364 1.243 20 30 BDEDLP C=C[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001253603194 969298016 /nfs/dbraw/zinc/29/80/16/969298016.db2.gz SHYBSOJPFDKYHN-ZDUSSCGKSA-N 2 2 247.342 1.187 20 30 BDEDLP C=CCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209163765 969357140 /nfs/dbraw/zinc/35/71/40/969357140.db2.gz KTKMSRUAOQTTMN-STQMWFEESA-N 2 2 208.349 1.979 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001169108815 969446300 /nfs/dbraw/zinc/44/63/00/969446300.db2.gz CKXNMZGGRIKUFK-ZSBIGDGJSA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001169108815 969446307 /nfs/dbraw/zinc/44/63/07/969446307.db2.gz CKXNMZGGRIKUFK-ZSBIGDGJSA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+]CC2(C#N)CC2)CC1 ZINC001254504490 969671443 /nfs/dbraw/zinc/67/14/43/969671443.db2.gz CAUUKDOKUDMMRN-NSHDSACASA-N 2 2 207.321 1.364 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+]CC2(C#N)CC2)CC1 ZINC001254504490 969671453 /nfs/dbraw/zinc/67/14/53/969671453.db2.gz CAUUKDOKUDMMRN-NSHDSACASA-N 2 2 207.321 1.364 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001254651022 969763523 /nfs/dbraw/zinc/76/35/23/969763523.db2.gz ZQJQJAOFMJAOMP-MJBXVCDLSA-N 2 2 233.359 1.753 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001254651022 969763527 /nfs/dbraw/zinc/76/35/27/969763527.db2.gz ZQJQJAOFMJAOMP-MJBXVCDLSA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246873247 973264308 /nfs/dbraw/zinc/26/43/08/973264308.db2.gz TYSSCDVRDLNZET-KCPJHIHWSA-N 2 2 241.338 1.522 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246873247 973264330 /nfs/dbraw/zinc/26/43/30/973264330.db2.gz TYSSCDVRDLNZET-KCPJHIHWSA-N 2 2 241.338 1.522 20 30 BDEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](C#N)C1)C2 ZINC001172123661 974388454 /nfs/dbraw/zinc/38/84/54/974388454.db2.gz HPZFPTGYKTUKGS-FQUUOJAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](C#N)C1)C2 ZINC001172123661 974388459 /nfs/dbraw/zinc/38/84/59/974388459.db2.gz HPZFPTGYKTUKGS-FQUUOJAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](C#N)C1)C2 ZINC001172123661 974388465 /nfs/dbraw/zinc/38/84/65/974388465.db2.gz HPZFPTGYKTUKGS-FQUUOJAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](C#N)C1)C2 ZINC001172123661 974388474 /nfs/dbraw/zinc/38/84/74/974388474.db2.gz HPZFPTGYKTUKGS-FQUUOJAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[C@@H](CCCC#N)n1cc[nH+]c1CC[NH3+] ZINC001172479222 974777840 /nfs/dbraw/zinc/77/78/40/974777840.db2.gz KKSXBVLSMHNWOY-JTQLQIEISA-N 2 2 206.293 1.639 20 30 BDEDLP N#Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206187016 975013542 /nfs/dbraw/zinc/01/35/42/975013542.db2.gz SOUJTWPTWLOBKS-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206187016 975013550 /nfs/dbraw/zinc/01/35/50/975013550.db2.gz SOUJTWPTWLOBKS-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP CC1(C#N)CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001173587793 975428936 /nfs/dbraw/zinc/42/89/36/975428936.db2.gz CYKQQPHDINTLAX-UHFFFAOYSA-N 2 2 232.331 1.945 20 30 BDEDLP C=CCO[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC001333888229 976147649 /nfs/dbraw/zinc/14/76/49/976147649.db2.gz MLADQZYFRVHREQ-ZDUSSCGKSA-N 2 2 235.331 1.505 20 30 BDEDLP C=CCO[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC001333888229 976147651 /nfs/dbraw/zinc/14/76/51/976147651.db2.gz MLADQZYFRVHREQ-ZDUSSCGKSA-N 2 2 235.331 1.505 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235947008 979222850 /nfs/dbraw/zinc/22/28/50/979222850.db2.gz UOBQESZHTAQNKV-NEPJUHHUSA-N 2 2 222.332 1.056 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235947008 979222859 /nfs/dbraw/zinc/22/28/59/979222859.db2.gz UOBQESZHTAQNKV-NEPJUHHUSA-N 2 2 222.332 1.056 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236018266 979308566 /nfs/dbraw/zinc/30/85/66/979308566.db2.gz URSUHJCEYILKQY-ZIAGYGMSSA-N 2 2 227.311 1.134 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236018266 979308577 /nfs/dbraw/zinc/30/85/77/979308577.db2.gz URSUHJCEYILKQY-ZIAGYGMSSA-N 2 2 227.311 1.134 20 30 BDEDLP CC[N@H+](CCC1([NH3+])CCOCC1)C[C@@H](C)C#N ZINC001577710879 984643100 /nfs/dbraw/zinc/64/31/00/984643100.db2.gz GJVORLOOGSFNHT-LBPRGKRZSA-N 2 2 239.363 1.366 20 30 BDEDLP CC[N@@H+](CCC1([NH3+])CCOCC1)C[C@@H](C)C#N ZINC001577710879 984643119 /nfs/dbraw/zinc/64/31/19/984643119.db2.gz GJVORLOOGSFNHT-LBPRGKRZSA-N 2 2 239.363 1.366 20 30 BDEDLP N#C[C@@]1(F)CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580040656 986433682 /nfs/dbraw/zinc/43/36/82/986433682.db2.gz MRTCRVMMPMHDIU-AXFHLTTASA-N 2 2 211.284 1.051 20 30 BDEDLP N#C[C@@]1(F)CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580040656 986433687 /nfs/dbraw/zinc/43/36/87/986433687.db2.gz MRTCRVMMPMHDIU-AXFHLTTASA-N 2 2 211.284 1.051 20 30 BDEDLP N#CCC1(C[N@H+]2C3CCC2(C[NH3+])CC3)CC1 ZINC001580048449 986477943 /nfs/dbraw/zinc/47/79/43/986477943.db2.gz ZMNWFJXTNNAGNM-UHFFFAOYSA-N 2 2 219.332 1.636 20 30 BDEDLP N#CCC1(C[N@@H+]2C3CCC2(C[NH3+])CC3)CC1 ZINC001580048449 986477953 /nfs/dbraw/zinc/47/79/53/986477953.db2.gz ZMNWFJXTNNAGNM-UHFFFAOYSA-N 2 2 219.332 1.636 20 30 BDEDLP CCCCCCCC[C@H](O)C[N@H+](C)CC[NH3+] ZINC001246014786 987298304 /nfs/dbraw/zinc/29/83/04/987298304.db2.gz QVTHASXRYZHCBI-ZDUSSCGKSA-N 2 2 230.396 1.988 20 30 BDEDLP CCCCCCCC[C@H](O)C[N@@H+](C)CC[NH3+] ZINC001246014786 987298312 /nfs/dbraw/zinc/29/83/12/987298312.db2.gz QVTHASXRYZHCBI-ZDUSSCGKSA-N 2 2 230.396 1.988 20 30 BDEDLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[NH2+]1 ZINC001246081384 987377144 /nfs/dbraw/zinc/37/71/44/987377144.db2.gz SEEDKLAPHZSLMB-YFKTTZPYSA-N 2 2 207.321 1.409 20 30 BDEDLP N#CC1(C[NH2+]C2CC[NH2+]CC2)CCCC1 ZINC001246094490 987404640 /nfs/dbraw/zinc/40/46/40/987404640.db2.gz XZOSGWXEPREXJE-UHFFFAOYSA-N 2 2 207.321 1.412 20 30 BDEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246099433 987420386 /nfs/dbraw/zinc/42/03/86/987420386.db2.gz RAMVTKYOQNEVKK-MXWKQRLJSA-N 2 2 213.300 1.358 20 30 BDEDLP C[C@H](CCCC#N)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246099434 987420778 /nfs/dbraw/zinc/42/07/78/987420778.db2.gz RAMVTKYOQNEVKK-OUAUKWLOSA-N 2 2 213.300 1.358 20 30 BDEDLP C=C1CC=C(F)C=C1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246336415 987745004 /nfs/dbraw/zinc/74/50/04/987745004.db2.gz MUIDLEWKQXSDHK-LBPRGKRZSA-N 2 2 249.333 1.367 20 30 BDEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001575924189 993125778 /nfs/dbraw/zinc/12/57/78/993125778.db2.gz QTIAUVPGUUXQPH-MXWKQRLJSA-N 2 2 209.337 1.655 20 30 BDEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001575924176 993127396 /nfs/dbraw/zinc/12/73/96/993127396.db2.gz QTIAUVPGUUXQPH-AXFHLTTASA-N 2 2 209.337 1.655 20 30 BDEDLP C[C@@]1(C#N)CC[N@H+](CCC2([NH3+])CCOCC2)C1 ZINC001576330643 993260743 /nfs/dbraw/zinc/26/07/43/993260743.db2.gz PSPHGSOJVXDPHO-LBPRGKRZSA-N 2 2 237.347 1.120 20 30 BDEDLP C[C@@]1(C#N)CC[N@@H+](CCC2([NH3+])CCOCC2)C1 ZINC001576330643 993260748 /nfs/dbraw/zinc/26/07/48/993260748.db2.gz PSPHGSOJVXDPHO-LBPRGKRZSA-N 2 2 237.347 1.120 20 30 BDEDLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1C#N ZINC000382993347 398209652 /nfs/dbraw/zinc/20/96/52/398209652.db2.gz FIDGADOXJPVROX-JTQLQIEISA-N 2 2 233.315 1.346 20 30 BDEDLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1C#N ZINC000382993347 398209653 /nfs/dbraw/zinc/20/96/53/398209653.db2.gz FIDGADOXJPVROX-JTQLQIEISA-N 2 2 233.315 1.346 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000602531194 349580386 /nfs/dbraw/zinc/58/03/86/349580386.db2.gz ULWXHJVLAGGCLD-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000602531194 349580390 /nfs/dbraw/zinc/58/03/90/349580390.db2.gz ULWXHJVLAGGCLD-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP N#CC1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000602506588 349582512 /nfs/dbraw/zinc/58/25/12/349582512.db2.gz ZYCJGTIKOKLQFI-UHFFFAOYSA-N 2 2 232.331 1.945 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000602543488 349587871 /nfs/dbraw/zinc/58/78/71/349587871.db2.gz KRZYZVQJWBQNRK-NEPJUHHUSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000602543488 349587875 /nfs/dbraw/zinc/58/78/75/349587875.db2.gz KRZYZVQJWBQNRK-NEPJUHHUSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](C[NH2+]C[C@@H](C)CCC#N)[N@H+](C)C1CC1 ZINC000602543489 349587925 /nfs/dbraw/zinc/58/79/25/349587925.db2.gz KRZYZVQJWBQNRK-NWDGAFQWSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@H](C[NH2+]C[C@@H](C)CCC#N)[N@@H+](C)C1CC1 ZINC000602543489 349587928 /nfs/dbraw/zinc/58/79/28/349587928.db2.gz KRZYZVQJWBQNRK-NWDGAFQWSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602544598 349588676 /nfs/dbraw/zinc/58/86/76/349588676.db2.gz MQVOIRQZPHYABJ-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000602544598 349588680 /nfs/dbraw/zinc/58/86/80/349588680.db2.gz MQVOIRQZPHYABJ-NWDGAFQWSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000602544596 349588791 /nfs/dbraw/zinc/58/87/91/349588791.db2.gz MQVOIRQZPHYABJ-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000602544596 349588793 /nfs/dbraw/zinc/58/87/93/349588793.db2.gz MQVOIRQZPHYABJ-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000309652645 342776478 /nfs/dbraw/zinc/77/64/78/342776478.db2.gz ORAJXFHAWIKINW-AVGNSLFASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000309652645 342776479 /nfs/dbraw/zinc/77/64/79/342776479.db2.gz ORAJXFHAWIKINW-AVGNSLFASA-N 2 2 221.348 1.753 20 30 BDEDLP Cn1c[nH+]c(CC[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602689444 349679401 /nfs/dbraw/zinc/67/94/01/349679401.db2.gz TZAXLNNZFRMIPR-UHFFFAOYSA-N 2 2 241.298 1.019 20 30 BDEDLP CC[N@H+](CCC#N)CCc1c[nH+]cn1C ZINC000602779097 349744750 /nfs/dbraw/zinc/74/47/50/349744750.db2.gz OSCMBPLMYGETHM-UHFFFAOYSA-N 2 2 206.293 1.198 20 30 BDEDLP CC[N@@H+](CCC#N)CCc1c[nH+]cn1C ZINC000602779097 349744753 /nfs/dbraw/zinc/74/47/53/349744753.db2.gz OSCMBPLMYGETHM-UHFFFAOYSA-N 2 2 206.293 1.198 20 30 BDEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000387504297 343091123 /nfs/dbraw/zinc/09/11/23/343091123.db2.gz XYJCOBGGMHUPPQ-RYUDHWBXSA-N 2 2 212.337 1.309 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000349326192 136341647 /nfs/dbraw/zinc/34/16/47/136341647.db2.gz TVVFHYKZIVJVTC-NDBYEHHHSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C[N@H+]1C1CC1 ZINC000349326192 136341648 /nfs/dbraw/zinc/34/16/48/136341648.db2.gz TVVFHYKZIVJVTC-NDBYEHHHSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349339431 136342302 /nfs/dbraw/zinc/34/23/02/136342302.db2.gz CPIKYRGKVVYUPG-BYNQJWBRSA-N 2 2 233.359 1.751 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349339431 136342303 /nfs/dbraw/zinc/34/23/03/136342303.db2.gz CPIKYRGKVVYUPG-BYNQJWBRSA-N 2 2 233.359 1.751 20 30 BDEDLP CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769804 344370582 /nfs/dbraw/zinc/37/05/82/344370582.db2.gz ZWLXJNMSXMRHHN-ZWNOBZJWSA-N 2 2 233.315 1.710 20 30 BDEDLP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769804 344370584 /nfs/dbraw/zinc/37/05/84/344370584.db2.gz ZWLXJNMSXMRHHN-ZWNOBZJWSA-N 2 2 233.315 1.710 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166090532 344489205 /nfs/dbraw/zinc/48/92/05/344489205.db2.gz GFBMDNSFZJIGOT-IJLUTSLNSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166090532 344489207 /nfs/dbraw/zinc/48/92/07/344489207.db2.gz GFBMDNSFZJIGOT-IJLUTSLNSA-N 2 2 207.321 1.362 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166091346 344489375 /nfs/dbraw/zinc/48/93/75/344489375.db2.gz NWLKPNKICJGCRN-UTUOFQBUSA-N 2 2 209.337 1.751 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166091346 344489377 /nfs/dbraw/zinc/48/93/77/344489377.db2.gz NWLKPNKICJGCRN-UTUOFQBUSA-N 2 2 209.337 1.751 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376650 344852301 /nfs/dbraw/zinc/85/23/01/344852301.db2.gz YQHNLSOJJRTIIG-UPJWGTAASA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376650 344852302 /nfs/dbraw/zinc/85/23/02/344852302.db2.gz YQHNLSOJJRTIIG-UPJWGTAASA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376649 344852318 /nfs/dbraw/zinc/85/23/18/344852318.db2.gz YQHNLSOJJRTIIG-JHJVBQTASA-N 2 2 234.347 1.502 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376649 344852321 /nfs/dbraw/zinc/85/23/21/344852321.db2.gz YQHNLSOJJRTIIG-JHJVBQTASA-N 2 2 234.347 1.502 20 30 BDEDLP Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425230299 192085038 /nfs/dbraw/zinc/08/50/38/192085038.db2.gz SGEMCUXUAMEOSJ-CQSZACIVSA-N 2 2 244.342 1.436 20 30 BDEDLP CCCC[N@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000425232645 192085265 /nfs/dbraw/zinc/08/52/65/192085265.db2.gz UXGZDISUGXGCIR-UHFFFAOYSA-N 2 2 246.358 1.827 20 30 BDEDLP CCCC[N@@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000425232645 192085267 /nfs/dbraw/zinc/08/52/67/192085267.db2.gz UXGZDISUGXGCIR-UHFFFAOYSA-N 2 2 246.358 1.827 20 30 BDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000236189041 346204637 /nfs/dbraw/zinc/20/46/37/346204637.db2.gz LLRVJUYYKGNLLJ-CQSZACIVSA-N 2 2 229.327 1.790 20 30 BDEDLP N#CCCOCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000590167366 346786448 /nfs/dbraw/zinc/78/64/48/346786448.db2.gz RXNPCMKMVXHQNX-UHFFFAOYSA-N 2 2 248.330 1.519 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000309769836 347159057 /nfs/dbraw/zinc/15/90/57/347159057.db2.gz KEUXSURVADOBAH-FVCCEPFGSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000309769836 347159064 /nfs/dbraw/zinc/15/90/64/347159064.db2.gz KEUXSURVADOBAH-FVCCEPFGSA-N 2 2 221.348 1.751 20 30 BDEDLP C=CCCCC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000577261318 365905081 /nfs/dbraw/zinc/90/50/81/365905081.db2.gz YSXQCHSWYHDORM-CYBMUJFWSA-N 2 2 226.364 1.605 20 30 BDEDLP C=CCCCC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000577261318 365905087 /nfs/dbraw/zinc/90/50/87/365905087.db2.gz YSXQCHSWYHDORM-CYBMUJFWSA-N 2 2 226.364 1.605 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577267 347676961 /nfs/dbraw/zinc/67/69/61/347676961.db2.gz KRMWXUUVCQEZNK-PWSUYJOCSA-N 2 2 207.321 1.410 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000591579945 347677892 /nfs/dbraw/zinc/67/78/92/347677892.db2.gz ATCFQMWCFGYUFO-YFKTTZPYSA-N 2 2 225.311 1.358 20 30 BDEDLP CC(C)(C)[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000205207596 348466835 /nfs/dbraw/zinc/46/68/35/348466835.db2.gz CXGYSFITGCKJDO-UHFFFAOYSA-N 2 2 209.337 1.753 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000599086910 349090742 /nfs/dbraw/zinc/09/07/42/349090742.db2.gz BDLLVJFRCBJIMW-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000599086910 349090745 /nfs/dbraw/zinc/09/07/45/349090745.db2.gz BDLLVJFRCBJIMW-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CC[N@@H+](CC[NH3+])Cc1ccc(OC)cc1 ZINC000032013712 166340678 /nfs/dbraw/zinc/34/06/78/166340678.db2.gz MRVAKXCGINQCRT-UHFFFAOYSA-N 2 2 220.316 1.642 20 30 BDEDLP C=CC[N@H+](CC[NH3+])Cc1ccc(OC)cc1 ZINC000032013712 166340680 /nfs/dbraw/zinc/34/06/80/166340680.db2.gz MRVAKXCGINQCRT-UHFFFAOYSA-N 2 2 220.316 1.642 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000411268800 191174579 /nfs/dbraw/zinc/17/45/79/191174579.db2.gz NHKPFOUCIQGPSF-LBPRGKRZSA-N 2 2 247.346 1.220 20 30 BDEDLP CC#CC[NH+](C)CCC[N@H+](C)CC#CC ZINC000293067584 352338371 /nfs/dbraw/zinc/33/83/71/352338371.db2.gz IVBCIENHVALESC-UHFFFAOYSA-N 2 2 206.333 1.287 20 30 BDEDLP Cc1cc[nH+]cc1N1CC[NH+](CCCC#N)CC1 ZINC000340599369 352500044 /nfs/dbraw/zinc/50/00/44/352500044.db2.gz ZQGFIFVFRFRQJN-UHFFFAOYSA-N 2 2 244.342 1.816 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336745979 352736291 /nfs/dbraw/zinc/73/62/91/352736291.db2.gz AWHJNUUXJLBPCQ-QWRGUYRKSA-N 2 2 209.337 1.608 20 30 BDEDLP CC[N@H+]1C[C@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000336766444 353269173 /nfs/dbraw/zinc/26/91/73/353269173.db2.gz ROAYBAVZDOCHIQ-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@@H+]1C[C@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000336766444 353269174 /nfs/dbraw/zinc/26/91/74/353269174.db2.gz ROAYBAVZDOCHIQ-RYUDHWBXSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768861 353282761 /nfs/dbraw/zinc/28/27/61/353282761.db2.gz UXEBGRLZEPVGCH-QWRGUYRKSA-N 2 2 207.321 1.220 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336768861 353282764 /nfs/dbraw/zinc/28/27/64/353282764.db2.gz UXEBGRLZEPVGCH-QWRGUYRKSA-N 2 2 207.321 1.220 20 30 BDEDLP Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399005445 353551728 /nfs/dbraw/zinc/55/17/28/353551728.db2.gz XLWNVVDTXJYOIV-KWQFWETISA-N 2 2 216.288 1.045 20 30 BDEDLP C=CC[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000184281794 353635997 /nfs/dbraw/zinc/63/59/97/353635997.db2.gz BPXBDYVZUMCCDR-LLVKDONJSA-N 2 2 231.299 1.361 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293747134 353756601 /nfs/dbraw/zinc/75/66/01/353756601.db2.gz IJISHQDJUMHPJV-UONOGXRCSA-N 2 2 249.358 1.969 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293747134 353756602 /nfs/dbraw/zinc/75/66/02/353756602.db2.gz IJISHQDJUMHPJV-UONOGXRCSA-N 2 2 249.358 1.969 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000295001218 353795561 /nfs/dbraw/zinc/79/55/61/353795561.db2.gz LZNSDFXRAYPXQT-CYBMUJFWSA-N 2 2 248.374 1.334 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000295001218 353795563 /nfs/dbraw/zinc/79/55/63/353795563.db2.gz LZNSDFXRAYPXQT-CYBMUJFWSA-N 2 2 248.374 1.334 20 30 BDEDLP C=C[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352468101 134146477 /nfs/dbraw/zinc/14/64/77/134146477.db2.gz ZDPYWHUVUBTQIG-CYBMUJFWSA-N 2 2 243.310 1.509 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450400757 202153124 /nfs/dbraw/zinc/15/31/24/202153124.db2.gz HLTKHRJBMPXBCX-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450400757 202153127 /nfs/dbraw/zinc/15/31/27/202153127.db2.gz HLTKHRJBMPXBCX-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP N#CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000584446859 357964620 /nfs/dbraw/zinc/96/46/20/357964620.db2.gz DOOPZSXIFLSQSH-UHFFFAOYSA-N 2 2 233.359 1.754 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625550364 491123406 /nfs/dbraw/zinc/12/34/06/491123406.db2.gz VVOVXRSFPWTTLS-UHFFFAOYSA-N 2 2 224.348 1.359 20 30 BDEDLP N#CCN(CCn1cc[nH+]c1)C1CCCC1 ZINC000161975324 361046713 /nfs/dbraw/zinc/04/67/13/361046713.db2.gz XPWKNXIKBZAHDJ-UHFFFAOYSA-N 2 2 218.304 1.651 20 30 BDEDLP N#CC[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000161975324 361046717 /nfs/dbraw/zinc/04/67/17/361046717.db2.gz XPWKNXIKBZAHDJ-UHFFFAOYSA-N 2 2 218.304 1.651 20 30 BDEDLP N#CC[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000161975324 361046719 /nfs/dbraw/zinc/04/67/19/361046719.db2.gz XPWKNXIKBZAHDJ-UHFFFAOYSA-N 2 2 218.304 1.651 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000435739783 201286408 /nfs/dbraw/zinc/28/64/08/201286408.db2.gz HRGWEVWTONIMOE-DGAVXFQQSA-N 2 2 238.375 1.507 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000435739783 201286411 /nfs/dbraw/zinc/28/64/11/201286411.db2.gz HRGWEVWTONIMOE-DGAVXFQQSA-N 2 2 238.375 1.507 20 30 BDEDLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330224148 541370025 /nfs/dbraw/zinc/37/00/25/541370025.db2.gz NNEFUJVJANHVHK-NSHDSACASA-N 2 2 234.303 1.493 20 30 BDEDLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330224148 541370030 /nfs/dbraw/zinc/37/00/30/541370030.db2.gz NNEFUJVJANHVHK-NSHDSACASA-N 2 2 234.303 1.493 20 30 BDEDLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330224148 541370034 /nfs/dbraw/zinc/37/00/34/541370034.db2.gz NNEFUJVJANHVHK-NSHDSACASA-N 2 2 234.303 1.493 20 30 BDEDLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330224148 541370037 /nfs/dbraw/zinc/37/00/37/541370037.db2.gz NNEFUJVJANHVHK-NSHDSACASA-N 2 2 234.303 1.493 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000576028971 365455021 /nfs/dbraw/zinc/45/50/21/365455021.db2.gz HQXCWPNPTVQLLP-SAXRGWBVSA-N 2 2 249.358 1.035 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311057778 370383717 /nfs/dbraw/zinc/38/37/17/370383717.db2.gz HWPYEYAEXGCCNW-LSDHHAIUSA-N 2 2 241.338 1.742 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311057778 370383722 /nfs/dbraw/zinc/38/37/22/370383722.db2.gz HWPYEYAEXGCCNW-LSDHHAIUSA-N 2 2 241.338 1.742 20 30 BDEDLP C=CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228073 371417646 /nfs/dbraw/zinc/41/76/46/371417646.db2.gz HVOOBPWQUBVFJC-CHWSQXEVSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228073 371417648 /nfs/dbraw/zinc/41/76/48/371417648.db2.gz HVOOBPWQUBVFJC-CHWSQXEVSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624231020 371418685 /nfs/dbraw/zinc/41/86/85/371418685.db2.gz NMRCTASTKWPBBZ-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624231020 371418690 /nfs/dbraw/zinc/41/86/90/371418690.db2.gz NMRCTASTKWPBBZ-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](CC)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334910 371485595 /nfs/dbraw/zinc/48/55/95/371485595.db2.gz HVOOBPWQUBVFJC-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](CC)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334910 371485600 /nfs/dbraw/zinc/48/56/00/371485600.db2.gz HVOOBPWQUBVFJC-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424201433 206035627 /nfs/dbraw/zinc/03/56/27/206035627.db2.gz RYWPWTXYKISIQO-NNYUYHANSA-N 2 2 207.321 1.218 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424201433 206035631 /nfs/dbraw/zinc/03/56/31/206035631.db2.gz RYWPWTXYKISIQO-NNYUYHANSA-N 2 2 207.321 1.218 20 30 BDEDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000289550861 384140419 /nfs/dbraw/zinc/14/04/19/384140419.db2.gz XQJLYBKAZHHPNG-UHFFFAOYSA-N 2 2 248.374 1.670 20 30 BDEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000289550861 384140426 /nfs/dbraw/zinc/14/04/26/384140426.db2.gz XQJLYBKAZHHPNG-UHFFFAOYSA-N 2 2 248.374 1.670 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333042228 384204282 /nfs/dbraw/zinc/20/42/82/384204282.db2.gz FKUVLYCPTWABPE-WOPDTQHZSA-N 2 2 230.315 1.480 20 30 BDEDLP CC[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000164957403 384341580 /nfs/dbraw/zinc/34/15/80/384341580.db2.gz BCWWFMHCBRNNFW-UHFFFAOYSA-N 2 2 209.337 1.610 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000172196709 385120733 /nfs/dbraw/zinc/12/07/33/385120733.db2.gz YKGYDBXOBACFDS-ZDUSSCGKSA-N 2 2 243.354 1.942 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000172196709 385120742 /nfs/dbraw/zinc/12/07/42/385120742.db2.gz YKGYDBXOBACFDS-ZDUSSCGKSA-N 2 2 243.354 1.942 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000308865296 385232361 /nfs/dbraw/zinc/23/23/61/385232361.db2.gz FCASWWKWCVXDMW-NWDGAFQWSA-N 2 2 207.321 1.364 20 30 BDEDLP C#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000378327935 533153165 /nfs/dbraw/zinc/15/31/65/533153165.db2.gz UNYZPYRIXKVBQD-CQSZACIVSA-N 2 2 220.360 1.818 20 30 BDEDLP C#CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000378327935 533153173 /nfs/dbraw/zinc/15/31/73/533153173.db2.gz UNYZPYRIXKVBQD-CQSZACIVSA-N 2 2 220.360 1.818 20 30 BDEDLP C[NH+](C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000572780604 386539032 /nfs/dbraw/zinc/53/90/32/386539032.db2.gz PRXYLXGMXGTATM-UHFFFAOYSA-N 2 2 247.317 1.880 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000395409568 386828895 /nfs/dbraw/zinc/82/88/95/386828895.db2.gz XCEQYEVGVSGQEL-RYUDHWBXSA-N 2 2 226.364 1.555 20 30 BDEDLP N#CCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571857635 387186033 /nfs/dbraw/zinc/18/60/33/387186033.db2.gz WPAOEIKHNFQJPP-UHFFFAOYSA-N 2 2 233.319 1.226 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423339366 387187832 /nfs/dbraw/zinc/18/78/32/387187832.db2.gz WNSCXLBNTGPSFF-BDAKNGLRSA-N 2 2 221.279 1.695 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000514938395 387317913 /nfs/dbraw/zinc/31/79/13/387317913.db2.gz BHTVYJDLQNZNGA-IUODEOHRSA-N 2 2 243.354 1.840 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(C#N)cs1 ZINC000352822650 387512752 /nfs/dbraw/zinc/51/27/52/387512752.db2.gz KPXACGWJLZAPEV-SECBINFHSA-N 2 2 247.327 1.390 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423017185 387840943 /nfs/dbraw/zinc/84/09/43/387840943.db2.gz VSWLMEJNWVNUOG-VXGBXAGGSA-N 2 2 212.337 1.167 20 30 BDEDLP COc1cc[nH+]cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154335 387815794 /nfs/dbraw/zinc/81/57/94/387815794.db2.gz LNOOPCRLCUTPOM-VIFPVBQESA-N 2 2 248.286 1.050 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453348531 388053466 /nfs/dbraw/zinc/05/34/66/388053466.db2.gz HPYQRBFYNRYYHO-ZZVYKPCYSA-N 2 2 236.359 1.402 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000453348531 388053471 /nfs/dbraw/zinc/05/34/71/388053471.db2.gz HPYQRBFYNRYYHO-ZZVYKPCYSA-N 2 2 236.359 1.402 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000453351087 388055584 /nfs/dbraw/zinc/05/55/84/388055584.db2.gz KMQXXFMVLMJIRP-UPJWGTAASA-N 2 2 226.364 1.243 20 30 BDEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000453351087 388055587 /nfs/dbraw/zinc/05/55/87/388055587.db2.gz KMQXXFMVLMJIRP-UPJWGTAASA-N 2 2 226.364 1.243 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000453357532 388058639 /nfs/dbraw/zinc/05/86/39/388058639.db2.gz ONUGNLKPTVCCSX-NDBYEHHHSA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000453357532 388058642 /nfs/dbraw/zinc/05/86/42/388058642.db2.gz ONUGNLKPTVCCSX-NDBYEHHHSA-N 2 2 224.348 1.260 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000449120410 388145453 /nfs/dbraw/zinc/14/54/53/388145453.db2.gz CWIOYOHDXMZLMV-AAEUAGOBSA-N 2 2 240.416 1.978 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447295 388208364 /nfs/dbraw/zinc/20/83/64/388208364.db2.gz XYYNROGZSUDPEY-RFGFWPKPSA-N 2 2 235.375 1.999 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449447295 388208365 /nfs/dbraw/zinc/20/83/65/388208365.db2.gz XYYNROGZSUDPEY-RFGFWPKPSA-N 2 2 235.375 1.999 20 30 BDEDLP C#C[C@@H](C)[NH+](C)CCC[N@@H+](C)[C@H](C)C#C ZINC000491713271 388313991 /nfs/dbraw/zinc/31/39/91/388313991.db2.gz ZSZPVQXZUSSRFR-CHWSQXEVSA-N 2 2 206.333 1.284 20 30 BDEDLP C#C[C@@H](C)[NH+](C)CCC[N@H+](C)[C@H](C)C#C ZINC000491713271 388313992 /nfs/dbraw/zinc/31/39/92/388313992.db2.gz ZSZPVQXZUSSRFR-CHWSQXEVSA-N 2 2 206.333 1.284 20 30 BDEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309910247 388468670 /nfs/dbraw/zinc/46/86/70/388468670.db2.gz MGNJJSSWYZSNQR-WUHRBBMRSA-N 2 2 221.348 1.608 20 30 BDEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309910247 388468673 /nfs/dbraw/zinc/46/86/73/388468673.db2.gz MGNJJSSWYZSNQR-WUHRBBMRSA-N 2 2 221.348 1.608 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000573216739 388432630 /nfs/dbraw/zinc/43/26/30/388432630.db2.gz AWSPQRXJMQSYDJ-YNEHKIRRSA-N 2 2 244.342 1.902 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000573216739 388432632 /nfs/dbraw/zinc/43/26/32/388432632.db2.gz AWSPQRXJMQSYDJ-YNEHKIRRSA-N 2 2 244.342 1.902 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287101 388543175 /nfs/dbraw/zinc/54/31/75/388543175.db2.gz BYTBOFXRIXTACY-QWHCGFSZSA-N 2 2 235.331 1.457 20 30 BDEDLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C#N)c2)n1C ZINC000520839934 388670152 /nfs/dbraw/zinc/67/01/52/388670152.db2.gz XUKCVMFTZSMEKY-UHFFFAOYSA-N 2 2 240.310 1.890 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000125490545 388786869 /nfs/dbraw/zinc/78/68/69/388786869.db2.gz KLXPXFIKNVDVPM-LLVKDONJSA-N 2 2 233.315 1.535 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000125490545 388786871 /nfs/dbraw/zinc/78/68/71/388786871.db2.gz KLXPXFIKNVDVPM-LLVKDONJSA-N 2 2 233.315 1.535 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000566106999 388988366 /nfs/dbraw/zinc/98/83/66/388988366.db2.gz CYOJDFWGOKFTMG-GFCCVEGCSA-N 2 2 246.358 1.646 20 30 BDEDLP CC#CCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000158114164 132441031 /nfs/dbraw/zinc/44/10/31/132441031.db2.gz YNMSBENNLQWIFP-UHFFFAOYSA-N 2 2 244.342 1.320 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330332617 134004622 /nfs/dbraw/zinc/00/46/22/134004622.db2.gz YAJHYBXUJLYSCV-GHMZBOCLSA-N 2 2 248.330 1.249 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330332617 134004623 /nfs/dbraw/zinc/00/46/23/134004623.db2.gz YAJHYBXUJLYSCV-GHMZBOCLSA-N 2 2 248.330 1.249 20 30 BDEDLP C=C(C)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352014536 134035752 /nfs/dbraw/zinc/03/57/52/134035752.db2.gz NLQYWLCJYODAEM-UHFFFAOYSA-N 2 2 234.347 1.494 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC000336103069 134083706 /nfs/dbraw/zinc/08/37/06/134083706.db2.gz IWJRROCRNNAYII-JTQLQIEISA-N 2 2 242.282 1.452 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252815660 135111616 /nfs/dbraw/zinc/11/16/16/135111616.db2.gz VMFLAVTVVUIQNU-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252815660 135111618 /nfs/dbraw/zinc/11/16/18/135111618.db2.gz VMFLAVTVVUIQNU-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[C@@H](C)NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262132642 135115994 /nfs/dbraw/zinc/11/59/94/135115994.db2.gz OGGPKJDDPRXEBN-SNVBAGLBSA-N 2 2 249.362 1.422 20 30 BDEDLP CNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264131822 135134881 /nfs/dbraw/zinc/13/48/81/135134881.db2.gz YCXGRKCAPNTWIH-UHFFFAOYSA-N 2 2 231.303 1.030 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000341326748 135235884 /nfs/dbraw/zinc/23/58/84/135235884.db2.gz XVGFFEYJOUBDCR-FRRDWIJNSA-N 2 2 238.375 1.386 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000341326748 135235886 /nfs/dbraw/zinc/23/58/86/135235886.db2.gz XVGFFEYJOUBDCR-FRRDWIJNSA-N 2 2 238.375 1.386 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335561045 136106161 /nfs/dbraw/zinc/10/61/61/136106161.db2.gz HYZNPXXRDXIYLC-BXUZGUMPSA-N 2 2 229.327 1.646 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309270141 397855552 /nfs/dbraw/zinc/85/55/52/397855552.db2.gz QYXAQYXTEOFAEU-LLVKDONJSA-N 2 2 221.348 1.895 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309270144 397855847 /nfs/dbraw/zinc/85/58/47/397855847.db2.gz QYXAQYXTEOFAEU-NSHDSACASA-N 2 2 221.348 1.895 20 30 BDEDLP C#CC(C)(C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000279254153 166111534 /nfs/dbraw/zinc/11/15/34/166111534.db2.gz LLMJOWQMWATZOS-UHFFFAOYSA-N 2 2 205.305 1.617 20 30 BDEDLP C#CC(C)(C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000279254153 166111536 /nfs/dbraw/zinc/11/15/36/166111536.db2.gz LLMJOWQMWATZOS-UHFFFAOYSA-N 2 2 205.305 1.617 20 30 BDEDLP C#CCOc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000020091793 166199884 /nfs/dbraw/zinc/19/98/84/166199884.db2.gz XXLQEUBHBLBFTI-UHFFFAOYSA-N 2 2 246.354 1.740 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000177908556 166353785 /nfs/dbraw/zinc/35/37/85/166353785.db2.gz RFYJQFKULLOZJG-GFCCVEGCSA-N 2 2 248.374 1.721 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)nn1 ZINC000655939148 411161424 /nfs/dbraw/zinc/16/14/24/411161424.db2.gz KOEHEZZPMHZGTM-CYBMUJFWSA-N 2 2 249.362 1.025 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nn1 ZINC000655939148 411161426 /nfs/dbraw/zinc/16/14/26/411161426.db2.gz KOEHEZZPMHZGTM-CYBMUJFWSA-N 2 2 249.362 1.025 20 30 BDEDLP C=CCOCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000653682821 411176732 /nfs/dbraw/zinc/17/67/32/411176732.db2.gz ZWJTZJVOVXHXAI-UONOGXRCSA-N 2 2 238.375 1.748 20 30 BDEDLP C=CCOCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000653682821 411176736 /nfs/dbraw/zinc/17/67/36/411176736.db2.gz ZWJTZJVOVXHXAI-UONOGXRCSA-N 2 2 238.375 1.748 20 30 BDEDLP C=CCOCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653682821 411176740 /nfs/dbraw/zinc/17/67/40/411176740.db2.gz ZWJTZJVOVXHXAI-UONOGXRCSA-N 2 2 238.375 1.748 20 30 BDEDLP C=CCOCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653682821 411176743 /nfs/dbraw/zinc/17/67/43/411176743.db2.gz ZWJTZJVOVXHXAI-UONOGXRCSA-N 2 2 238.375 1.748 20 30 BDEDLP C=CC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662299490 412086542 /nfs/dbraw/zinc/08/65/42/412086542.db2.gz RJSFJPOMIVAIID-CHWSQXEVSA-N 2 2 224.348 1.263 20 30 BDEDLP C=CC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662299490 412086544 /nfs/dbraw/zinc/08/65/44/412086544.db2.gz RJSFJPOMIVAIID-CHWSQXEVSA-N 2 2 224.348 1.263 20 30 BDEDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235188714 175888146 /nfs/dbraw/zinc/88/81/46/175888146.db2.gz CXKGNNBBRVMBRQ-RISCZKNCSA-N 2 2 229.327 1.961 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554858 487755639 /nfs/dbraw/zinc/75/56/39/487755639.db2.gz BIRAYBJGOJRABK-KGLIPLIRSA-N 2 2 248.326 1.472 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554858 487755641 /nfs/dbraw/zinc/75/56/41/487755641.db2.gz BIRAYBJGOJRABK-KGLIPLIRSA-N 2 2 248.326 1.472 20 30 BDEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000676557684 487872493 /nfs/dbraw/zinc/87/24/93/487872493.db2.gz ZWYXBBDLBORAOK-KBPBESRZSA-N 2 2 244.313 1.328 20 30 BDEDLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248755642 323032869 /nfs/dbraw/zinc/03/28/69/323032869.db2.gz CNRVDVCNTGNKIC-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248755642 323032870 /nfs/dbraw/zinc/03/28/70/323032870.db2.gz CNRVDVCNTGNKIC-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP C=CCC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000569710185 323038139 /nfs/dbraw/zinc/03/81/39/323038139.db2.gz PFKKSKZHOMHRSV-NSHDSACASA-N 2 2 223.320 1.145 20 30 BDEDLP C=CCOCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570694426 323067482 /nfs/dbraw/zinc/06/74/82/323067482.db2.gz HNNNHBNZIGVVPY-CYBMUJFWSA-N 2 2 249.358 1.802 20 30 BDEDLP C=CCOCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570694426 323067483 /nfs/dbraw/zinc/06/74/83/323067483.db2.gz HNNNHBNZIGVVPY-CYBMUJFWSA-N 2 2 249.358 1.802 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000566412109 326041060 /nfs/dbraw/zinc/04/10/60/326041060.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000566412109 326041063 /nfs/dbraw/zinc/04/10/63/326041063.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566412109 326041064 /nfs/dbraw/zinc/04/10/64/326041064.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566412109 326041066 /nfs/dbraw/zinc/04/10/66/326041066.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 2 226.364 1.340 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568249325 326334659 /nfs/dbraw/zinc/33/46/59/326334659.db2.gz NNYMWAKFWJKPSV-JSGCOSHPSA-N 3 2 237.391 1.496 20 30 BDEDLP C=C(C)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985703 487558963 /nfs/dbraw/zinc/55/89/63/487558963.db2.gz HTGNUYMYQDDJEP-CQSZACIVSA-N 2 2 238.375 1.749 20 30 BDEDLP C=C(C)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985703 487558969 /nfs/dbraw/zinc/55/89/69/487558969.db2.gz HTGNUYMYQDDJEP-CQSZACIVSA-N 2 2 238.375 1.749 20 30 BDEDLP C[C@H]1C[NH+]=C(N[NH+]=Cc2ccc(N(C)C)cc2)N1 ZINC000779806022 582736849 /nfs/dbraw/zinc/73/68/49/582736849.db2.gz YOAPUPWWTLSRIG-JTQLQIEISA-N 2 2 245.330 1.024 20 30 BDEDLP CC#CC[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000895095978 583587901 /nfs/dbraw/zinc/58/79/01/583587901.db2.gz LGELVKUIYCFKMN-OAHLLOKOSA-N 2 2 246.354 1.687 20 30 BDEDLP CC#CC[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000895095975 583587905 /nfs/dbraw/zinc/58/79/05/583587905.db2.gz LGELVKUIYCFKMN-HNNXBMFYSA-N 2 2 246.354 1.687 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858128590 588934486 /nfs/dbraw/zinc/93/44/86/588934486.db2.gz UXSVQGIFLLMQTC-UHFFFAOYSA-N 2 2 249.333 1.961 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000872140293 583947802 /nfs/dbraw/zinc/94/78/02/583947802.db2.gz IRMRQNMWDNYZEU-AAVRWANBSA-N 2 2 220.360 1.718 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000872140293 583947803 /nfs/dbraw/zinc/94/78/03/583947803.db2.gz IRMRQNMWDNYZEU-AAVRWANBSA-N 2 2 220.360 1.718 20 30 BDEDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)cc1F ZINC000902413500 584599968 /nfs/dbraw/zinc/59/99/68/584599968.db2.gz NAJQDPJENWEKMT-SECBINFHSA-N 2 2 233.290 1.839 20 30 BDEDLP N#Cc1csc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000902448014 584605125 /nfs/dbraw/zinc/60/51/25/584605125.db2.gz WRPYCNZWGJNOPN-VHSXEESVSA-N 2 2 248.355 1.374 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000903300067 584743602 /nfs/dbraw/zinc/74/36/02/584743602.db2.gz FPVZFUBOXXTXRU-FVCCEPFGSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@H+]1C ZINC000903300067 584743604 /nfs/dbraw/zinc/74/36/04/584743604.db2.gz FPVZFUBOXXTXRU-FVCCEPFGSA-N 2 2 221.348 1.751 20 30 BDEDLP C[NH2+]CCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000903826961 584805136 /nfs/dbraw/zinc/80/51/36/584805136.db2.gz PGHQOZAOPVHJNI-UHFFFAOYSA-N 2 2 223.345 1.661 20 30 BDEDLP C[NH2+]CCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000903826961 584805137 /nfs/dbraw/zinc/80/51/37/584805137.db2.gz PGHQOZAOPVHJNI-UHFFFAOYSA-N 2 2 223.345 1.661 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC[C@H]1CCOC1 ZINC000788038275 584932865 /nfs/dbraw/zinc/93/28/65/584932865.db2.gz FFBAINBYUSYZRR-NSHDSACASA-N 2 2 249.314 1.535 20 30 BDEDLP C=CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000772381782 585613935 /nfs/dbraw/zinc/61/39/35/585613935.db2.gz LMYNKGAETGABNA-CYBMUJFWSA-N 2 2 224.348 1.094 20 30 BDEDLP C=CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000772381782 585613936 /nfs/dbraw/zinc/61/39/36/585613936.db2.gz LMYNKGAETGABNA-CYBMUJFWSA-N 2 2 224.348 1.094 20 30 BDEDLP C#C[C@@H](C)[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000825709747 587333744 /nfs/dbraw/zinc/33/37/44/587333744.db2.gz ANQGTSCMXCPMQF-SNVBAGLBSA-N 2 2 203.289 1.283 20 30 BDEDLP C#C[C@@H](C)[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000825709747 587333746 /nfs/dbraw/zinc/33/37/46/587333746.db2.gz ANQGTSCMXCPMQF-SNVBAGLBSA-N 2 2 203.289 1.283 20 30 BDEDLP CC(=[NH+]NC1=[NH+]CCN1)c1ccccc1N(C)C ZINC000841661517 587970300 /nfs/dbraw/zinc/97/03/00/587970300.db2.gz QCHKUCCIAPOBAV-UHFFFAOYSA-N 2 2 245.330 1.025 20 30 BDEDLP C=C(Cl)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848533089 588394048 /nfs/dbraw/zinc/39/40/48/588394048.db2.gz HECUATOPVLFPQP-LBPRGKRZSA-N 2 2 244.766 1.582 20 30 BDEDLP C#CC[C@H](COC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000862548379 589220476 /nfs/dbraw/zinc/22/04/76/589220476.db2.gz DWULSJICMAYZAR-OAHLLOKOSA-N 2 2 246.354 1.951 20 30 BDEDLP C#CCC[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000878314664 590541931 /nfs/dbraw/zinc/54/19/31/590541931.db2.gz ZGPNFWXIYSYGCD-UHFFFAOYSA-N 2 2 246.358 1.167 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573003 590809117 /nfs/dbraw/zinc/80/91/17/590809117.db2.gz TXDRKTLUOYAXTR-WDEREUQCSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573003 590809119 /nfs/dbraw/zinc/80/91/19/590809119.db2.gz TXDRKTLUOYAXTR-WDEREUQCSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573003 590809120 /nfs/dbraw/zinc/80/91/20/590809120.db2.gz TXDRKTLUOYAXTR-WDEREUQCSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573003 590809123 /nfs/dbraw/zinc/80/91/23/590809123.db2.gz TXDRKTLUOYAXTR-WDEREUQCSA-N 2 2 214.740 1.765 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132266 590935123 /nfs/dbraw/zinc/93/51/23/590935123.db2.gz DJHAPFBGZMROCA-MELADBBJSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880132266 590935120 /nfs/dbraw/zinc/93/51/20/590935120.db2.gz DJHAPFBGZMROCA-MELADBBJSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880132266 590935121 /nfs/dbraw/zinc/93/51/21/590935121.db2.gz DJHAPFBGZMROCA-MELADBBJSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132266 590935127 /nfs/dbraw/zinc/93/51/27/590935127.db2.gz DJHAPFBGZMROCA-MELADBBJSA-N 2 2 238.375 1.482 20 30 BDEDLP C#CCC1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000880481198 591055501 /nfs/dbraw/zinc/05/55/01/591055501.db2.gz OBTLSZNWPCHZCX-UHFFFAOYSA-N 2 2 247.342 1.123 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)oc1C ZINC000883131163 591546876 /nfs/dbraw/zinc/54/68/76/591546876.db2.gz KMGBXLXYVIILPM-UHFFFAOYSA-N 2 2 234.343 1.941 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)oc1C ZINC000883131163 591546878 /nfs/dbraw/zinc/54/68/78/591546878.db2.gz KMGBXLXYVIILPM-UHFFFAOYSA-N 2 2 234.343 1.941 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1conc1CC ZINC000883131264 591547424 /nfs/dbraw/zinc/54/74/24/591547424.db2.gz SKHGUIJBOBMWKD-UHFFFAOYSA-N 2 2 235.331 1.282 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1conc1CC ZINC000883131264 591547426 /nfs/dbraw/zinc/54/74/26/591547426.db2.gz SKHGUIJBOBMWKD-UHFFFAOYSA-N 2 2 235.331 1.282 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000883399925 591646029 /nfs/dbraw/zinc/64/60/29/591646029.db2.gz YXMDWFWLEVISLP-LLVKDONJSA-N 2 2 235.331 1.246 20 30 BDEDLP C=CCC1(O)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000886778739 592320624 /nfs/dbraw/zinc/32/06/24/592320624.db2.gz RGFTWHUNAOECMQ-UHFFFAOYSA-N 2 2 249.358 1.366 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931311324 640148536 /nfs/dbraw/zinc/14/85/36/640148536.db2.gz LZPREMUHIVXNPO-MELADBBJSA-N 2 2 238.375 1.197 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931311324 640148542 /nfs/dbraw/zinc/14/85/42/640148542.db2.gz LZPREMUHIVXNPO-MELADBBJSA-N 2 2 238.375 1.197 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311324 640148545 /nfs/dbraw/zinc/14/85/45/640148545.db2.gz LZPREMUHIVXNPO-MELADBBJSA-N 2 2 238.375 1.197 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311324 640148552 /nfs/dbraw/zinc/14/85/52/640148552.db2.gz LZPREMUHIVXNPO-MELADBBJSA-N 2 2 238.375 1.197 20 30 BDEDLP C#CCC1([NH2+]C[C@H]2CCC[N@H+]2C)CCC1 ZINC000933294056 640699247 /nfs/dbraw/zinc/69/92/47/640699247.db2.gz FDYQLONKHDOQAO-GFCCVEGCSA-N 2 2 206.333 1.616 20 30 BDEDLP C#CCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCC1 ZINC000933294056 640699252 /nfs/dbraw/zinc/69/92/52/640699252.db2.gz FDYQLONKHDOQAO-GFCCVEGCSA-N 2 2 206.333 1.616 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000923429835 644422853 /nfs/dbraw/zinc/42/28/53/644422853.db2.gz FOZWRTWWMQVKRI-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000923429835 644422857 /nfs/dbraw/zinc/42/28/57/644422857.db2.gz FOZWRTWWMQVKRI-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC#N ZINC000809574023 644893959 /nfs/dbraw/zinc/89/39/59/644893959.db2.gz CXYJMEDTAIYGSL-QWHCGFSZSA-N 2 2 239.363 1.067 20 30 BDEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC#N ZINC000809574023 644893962 /nfs/dbraw/zinc/89/39/62/644893962.db2.gz CXYJMEDTAIYGSL-QWHCGFSZSA-N 2 2 239.363 1.067 20 30 BDEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CC#N ZINC000809574023 644893968 /nfs/dbraw/zinc/89/39/68/644893968.db2.gz CXYJMEDTAIYGSL-QWHCGFSZSA-N 2 2 239.363 1.067 20 30 BDEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)CC#N ZINC000809574023 644893971 /nfs/dbraw/zinc/89/39/71/644893971.db2.gz CXYJMEDTAIYGSL-QWHCGFSZSA-N 2 2 239.363 1.067 20 30 BDEDLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C#N)CC1 ZINC000926872779 645457456 /nfs/dbraw/zinc/45/74/56/645457456.db2.gz AOWNNAUNUDTIQA-FOSCPWQOSA-N 2 2 219.332 1.220 20 30 BDEDLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C#N)CC1 ZINC000926872779 645457467 /nfs/dbraw/zinc/45/74/67/645457467.db2.gz AOWNNAUNUDTIQA-FOSCPWQOSA-N 2 2 219.332 1.220 20 30 BDEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000925814471 646491979 /nfs/dbraw/zinc/49/19/79/646491979.db2.gz LSFWPBTVAVPDPL-UHFFFAOYSA-N 2 2 233.290 1.539 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000706259641 712142697 /nfs/dbraw/zinc/14/26/97/712142697.db2.gz PCBSGMZRBIUKJB-MELADBBJSA-N 2 2 235.375 1.952 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1OC ZINC000386040364 711022626 /nfs/dbraw/zinc/02/26/26/711022626.db2.gz ZNJOWUHQONLTFD-UHFFFAOYSA-N 2 2 246.354 1.740 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1OC ZINC000386040364 711022630 /nfs/dbraw/zinc/02/26/30/711022630.db2.gz ZNJOWUHQONLTFD-UHFFFAOYSA-N 2 2 246.354 1.740 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)nc1 ZINC000328129715 711689967 /nfs/dbraw/zinc/68/99/67/711689967.db2.gz VYAPOAVUPSWVPQ-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)nc1 ZINC000328129715 711689968 /nfs/dbraw/zinc/68/99/68/711689968.db2.gz VYAPOAVUPSWVPQ-UHFFFAOYSA-N 2 2 247.342 1.135 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706259641 712142693 /nfs/dbraw/zinc/14/26/93/712142693.db2.gz PCBSGMZRBIUKJB-MELADBBJSA-N 2 2 235.375 1.952 20 30 BDEDLP C[C@@H](CCC#N)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706259641 712142695 /nfs/dbraw/zinc/14/26/95/712142695.db2.gz PCBSGMZRBIUKJB-MELADBBJSA-N 2 2 235.375 1.952 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000706259641 712142696 /nfs/dbraw/zinc/14/26/96/712142696.db2.gz PCBSGMZRBIUKJB-MELADBBJSA-N 2 2 235.375 1.952 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715008610 712504168 /nfs/dbraw/zinc/50/41/68/712504168.db2.gz PBQNFUMYIUDRFE-MNOVXSKESA-N 2 2 214.740 1.813 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715008610 712504170 /nfs/dbraw/zinc/50/41/70/712504170.db2.gz PBQNFUMYIUDRFE-MNOVXSKESA-N 2 2 214.740 1.813 20 30 BDEDLP C#CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000037187723 712552811 /nfs/dbraw/zinc/55/28/11/712552811.db2.gz AWOZQSRXEFZODH-UHFFFAOYSA-N 2 2 228.339 1.874 20 30 BDEDLP C[N@H+](CCNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000195523085 712730735 /nfs/dbraw/zinc/73/07/35/712730735.db2.gz WJNQEDJZMJJZBF-UHFFFAOYSA-N 2 2 246.358 1.185 20 30 BDEDLP C[N@@H+](CCNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000195523085 712730737 /nfs/dbraw/zinc/73/07/37/712730737.db2.gz WJNQEDJZMJJZBF-UHFFFAOYSA-N 2 2 246.358 1.185 20 30 BDEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001236866244 966599592 /nfs/dbraw/zinc/59/95/92/966599592.db2.gz XJBFNCUAQLKERL-ZDUSSCGKSA-N 2 2 217.316 1.727 20 30 BDEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001236866244 966599604 /nfs/dbraw/zinc/59/96/04/966599604.db2.gz XJBFNCUAQLKERL-ZDUSSCGKSA-N 2 2 217.316 1.727 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@H](C#N)C2)CC1 ZINC001254526720 969721689 /nfs/dbraw/zinc/72/16/89/969721689.db2.gz UBRVLZWHPJJUOD-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](C#N)C2)CC1 ZINC001254526720 969721699 /nfs/dbraw/zinc/72/16/99/969721699.db2.gz UBRVLZWHPJJUOD-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001254526720 969721706 /nfs/dbraw/zinc/72/17/06/969721706.db2.gz UBRVLZWHPJJUOD-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](C#N)C2)CC1 ZINC001254526720 969721708 /nfs/dbraw/zinc/72/17/08/969721708.db2.gz UBRVLZWHPJJUOD-NEPJUHHUSA-N 2 2 207.321 1.316 20 30 BDEDLP C=CCCCCCCC[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001210399916 969883257 /nfs/dbraw/zinc/88/32/57/969883257.db2.gz MSZNWRRWTYYDGK-AWEZNQCLSA-N 2 2 240.391 1.779 20 30 BDEDLP C=CCCCCCCC[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001210399916 969883260 /nfs/dbraw/zinc/88/32/60/969883260.db2.gz MSZNWRRWTYYDGK-AWEZNQCLSA-N 2 2 240.391 1.779 20 30 BDEDLP C[C@@]1(C[NH3+])CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001158678781 971392484 /nfs/dbraw/zinc/39/24/84/971392484.db2.gz OFBLWCUCCONFNQ-AWEZNQCLSA-N 2 2 244.342 1.713 20 30 BDEDLP CC(C)C[NH+]1CCC([NH+]2CC(CC#N)C2)CC1 ZINC001258010599 971552256 /nfs/dbraw/zinc/55/22/56/971552256.db2.gz AKKMUQUSHYDHHK-UHFFFAOYSA-N 2 2 235.375 1.952 20 30 BDEDLP N#CCc1cc[nH+]c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159042680 971639258 /nfs/dbraw/zinc/63/92/58/971639258.db2.gz KDURJRFFJCFXTQ-UHFFFAOYSA-N 2 2 242.326 1.337 20 30 BDEDLP CC1(Nc2[nH+]cccc2CC#N)CC[NH2+]CC1 ZINC001168182725 963936090 /nfs/dbraw/zinc/93/60/90/963936090.db2.gz ZPIQPTXFCAPKPJ-UHFFFAOYSA-N 2 2 230.315 1.702 20 30 BDEDLP Cc1c[nH+]c(NC2(C#N)CC[NH+](C)CC2)cc1N ZINC001162231654 964886364 /nfs/dbraw/zinc/88/63/64/964886364.db2.gz OQAMSOZLYDSRBZ-UHFFFAOYSA-N 2 2 245.330 1.372 20 30 BDEDLP C#Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205880427 967871725 /nfs/dbraw/zinc/87/17/25/967871725.db2.gz GIZVQWVTOOVVJH-DOMZBBRYSA-N 2 2 228.339 1.837 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205880427 967871728 /nfs/dbraw/zinc/87/17/28/967871728.db2.gz GIZVQWVTOOVVJH-DOMZBBRYSA-N 2 2 228.339 1.837 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001206692087 968434589 /nfs/dbraw/zinc/43/45/89/968434589.db2.gz XOIGHYZABFXOGX-ZDUSSCGKSA-N 2 2 226.364 1.653 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001206692087 968434594 /nfs/dbraw/zinc/43/45/94/968434594.db2.gz XOIGHYZABFXOGX-ZDUSSCGKSA-N 2 2 226.364 1.653 20 30 BDEDLP CCCC[N@H+](CC#N)CC1CC[NH2+]CC1 ZINC001207439359 968772094 /nfs/dbraw/zinc/77/20/94/968772094.db2.gz OZWIXMMTFNZKCI-UHFFFAOYSA-N 2 2 209.337 1.612 20 30 BDEDLP CCCC[N@@H+](CC#N)CC1CC[NH2+]CC1 ZINC001207439359 968772096 /nfs/dbraw/zinc/77/20/96/968772096.db2.gz OZWIXMMTFNZKCI-UHFFFAOYSA-N 2 2 209.337 1.612 20 30 BDEDLP C=C[C@](C)(O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252546772 968784687 /nfs/dbraw/zinc/78/46/87/968784687.db2.gz ATKLZUJFUKNWTK-ZDUSSCGKSA-N 2 2 235.331 1.056 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001254679254 969785033 /nfs/dbraw/zinc/78/50/33/969785033.db2.gz KFUGWCCKXIZXRF-OCCSQVGLSA-N 2 2 233.359 1.849 20 30 BDEDLP CC[C@@H](CC#N)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001255166785 969979320 /nfs/dbraw/zinc/97/93/20/969979320.db2.gz QIGDZIRFOHPIRZ-NSHDSACASA-N 2 2 232.331 1.745 20 30 BDEDLP C=CCOC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922392 973508922 /nfs/dbraw/zinc/50/89/22/973508922.db2.gz WAWZIDMXEYLKJM-RYSNWHEDSA-N 2 2 236.359 1.404 20 30 BDEDLP C=CCOC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922392 973508940 /nfs/dbraw/zinc/50/89/40/973508940.db2.gz WAWZIDMXEYLKJM-RYSNWHEDSA-N 2 2 236.359 1.404 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172481030 974781016 /nfs/dbraw/zinc/78/10/16/974781016.db2.gz ZNUVLBDECAMXOI-RYUDHWBXSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172481030 974781018 /nfs/dbraw/zinc/78/10/18/974781018.db2.gz ZNUVLBDECAMXOI-RYUDHWBXSA-N 2 2 209.337 1.753 20 30 BDEDLP CCCCCCCCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235959038 979226862 /nfs/dbraw/zinc/22/68/62/979226862.db2.gz PVHJHYBONKXSLC-QWHCGFSZSA-N 2 2 228.380 1.741 20 30 BDEDLP CCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235959038 979226872 /nfs/dbraw/zinc/22/68/72/979226872.db2.gz PVHJHYBONKXSLC-QWHCGFSZSA-N 2 2 228.380 1.741 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236018243 979306885 /nfs/dbraw/zinc/30/68/85/979306885.db2.gz URSUHJCEYILKQY-KBPBESRZSA-N 2 2 227.311 1.134 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236018243 979306901 /nfs/dbraw/zinc/30/69/01/979306901.db2.gz URSUHJCEYILKQY-KBPBESRZSA-N 2 2 227.311 1.134 20 30 BDEDLP C#CCOc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236868204 979769709 /nfs/dbraw/zinc/76/97/09/979769709.db2.gz IEXCWKPCFULQNK-AWEZNQCLSA-N 2 2 246.354 1.868 20 30 BDEDLP C#CCOc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236868204 979769713 /nfs/dbraw/zinc/76/97/13/979769713.db2.gz IEXCWKPCFULQNK-AWEZNQCLSA-N 2 2 246.354 1.868 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246018023 987301563 /nfs/dbraw/zinc/30/15/63/987301563.db2.gz FEYNZXKCPBCNSX-CHWSQXEVSA-N 2 2 220.316 1.213 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001246100461 987416942 /nfs/dbraw/zinc/41/69/42/987416942.db2.gz DKDNDTYMTBOCHI-WISYIIOYSA-N 2 2 207.321 1.266 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001246100460 987419588 /nfs/dbraw/zinc/41/95/88/987419588.db2.gz DKDNDTYMTBOCHI-NOOOWODRSA-N 2 2 207.321 1.266 20 30 BDEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246240965 987640663 /nfs/dbraw/zinc/64/06/63/987640663.db2.gz SZXCDPXUFGEHPH-FRRDWIJNSA-N 2 2 228.380 1.658 20 30 BDEDLP C=C1CC=C(F)C=C1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246336290 987744434 /nfs/dbraw/zinc/74/44/34/987744434.db2.gz MUIDLEWKQXSDHK-GFCCVEGCSA-N 2 2 249.333 1.367 20 30 BDEDLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120574089 989742890 /nfs/dbraw/zinc/74/28/90/989742890.db2.gz KASZXHLELPQWBN-QWHCGFSZSA-N 2 2 234.347 1.361 20 30 BDEDLP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120574089 989742897 /nfs/dbraw/zinc/74/28/97/989742897.db2.gz KASZXHLELPQWBN-QWHCGFSZSA-N 2 2 234.347 1.361 20 30 BDEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2OC)C1 ZINC001574900249 992943477 /nfs/dbraw/zinc/94/34/77/992943477.db2.gz UDOQULJYPSUGPA-FDYHWXHSSA-N 2 2 224.348 1.308 20 30 BDEDLP N#Cc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335538298 398205861 /nfs/dbraw/zinc/20/58/61/398205861.db2.gz HKWPUSJZYOFJDX-UHFFFAOYSA-N 2 2 241.338 1.886 20 30 BDEDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335538316 398206086 /nfs/dbraw/zinc/20/60/86/398206086.db2.gz IILXJTDOYYYLAM-CYBMUJFWSA-N 2 2 229.327 1.788 20 30 BDEDLP C[C@@H](C#N)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600144180 342689846 /nfs/dbraw/zinc/68/98/46/342689846.db2.gz JGLLKYIGMCSACB-QWRGUYRKSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H](C#N)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600144180 342689847 /nfs/dbraw/zinc/68/98/47/342689847.db2.gz JGLLKYIGMCSACB-QWRGUYRKSA-N 2 2 209.337 1.608 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000309652642 342776555 /nfs/dbraw/zinc/77/65/55/342776555.db2.gz ORAJXFHAWIKINW-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000309652642 342776556 /nfs/dbraw/zinc/77/65/56/342776556.db2.gz ORAJXFHAWIKINW-AGIUHOORSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CCc1c[nH+]cn1C ZINC000401827717 259328548 /nfs/dbraw/zinc/32/85/48/259328548.db2.gz DUIVWWIIQSVXHN-JTQLQIEISA-N 2 2 206.293 1.244 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1C ZINC000602698840 349695389 /nfs/dbraw/zinc/69/53/89/349695389.db2.gz ZPVBQNLSHNAQER-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1C ZINC000602698840 349695392 /nfs/dbraw/zinc/69/53/92/349695392.db2.gz ZPVBQNLSHNAQER-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](C#N)C[N@H+](C)CCc1c[nH+]cn1C ZINC000602770958 349725147 /nfs/dbraw/zinc/72/51/47/349725147.db2.gz BAQWRECAFSXCJK-JTQLQIEISA-N 2 2 206.293 1.054 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000602770958 349725150 /nfs/dbraw/zinc/72/51/50/349725150.db2.gz BAQWRECAFSXCJK-JTQLQIEISA-N 2 2 206.293 1.054 20 30 BDEDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000071145580 343621898 /nfs/dbraw/zinc/62/18/98/343621898.db2.gz NMTDUVBKBXNPHQ-LBPRGKRZSA-N 2 2 229.327 1.600 20 30 BDEDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000071145580 343621901 /nfs/dbraw/zinc/62/19/01/343621901.db2.gz NMTDUVBKBXNPHQ-LBPRGKRZSA-N 2 2 229.327 1.600 20 30 BDEDLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C#N ZINC000602979107 349842811 /nfs/dbraw/zinc/84/28/11/349842811.db2.gz AATZLCWMAYDPIM-NEPJUHHUSA-N 2 2 218.304 1.507 20 30 BDEDLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C#N ZINC000602979107 349842815 /nfs/dbraw/zinc/84/28/15/349842815.db2.gz AATZLCWMAYDPIM-NEPJUHHUSA-N 2 2 218.304 1.507 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980535 349846446 /nfs/dbraw/zinc/84/64/46/349846446.db2.gz QYXQMLGCGYDUBT-QWHCGFSZSA-N 2 2 232.331 1.816 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980535 349846449 /nfs/dbraw/zinc/84/64/49/349846449.db2.gz QYXQMLGCGYDUBT-QWHCGFSZSA-N 2 2 232.331 1.816 20 30 BDEDLP C[N@H+](CCCC#N)CCCn1cc[nH+]c1 ZINC000119746447 344862087 /nfs/dbraw/zinc/86/20/87/344862087.db2.gz LKRFGZOQBPKDGS-UHFFFAOYSA-N 2 2 206.293 1.509 20 30 BDEDLP C[N@@H+](CCCC#N)CCCn1cc[nH+]c1 ZINC000119746447 344862090 /nfs/dbraw/zinc/86/20/90/344862090.db2.gz LKRFGZOQBPKDGS-UHFFFAOYSA-N 2 2 206.293 1.509 20 30 BDEDLP CC1CCN(C(=[NH2+])NCCCn2cc[nH+]c2)CC1 ZINC000122461019 344959746 /nfs/dbraw/zinc/95/97/46/344959746.db2.gz LXZHQFPQSGSVLL-UHFFFAOYSA-N 2 2 249.362 1.320 20 30 BDEDLP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000425219431 192084313 /nfs/dbraw/zinc/08/43/13/192084313.db2.gz ABUQNGQOCACQFJ-GFCCVEGCSA-N 2 2 244.342 1.650 20 30 BDEDLP C=CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580089482 346518254 /nfs/dbraw/zinc/51/82/54/346518254.db2.gz HDDBJBNWCCPINE-UHFFFAOYSA-N 2 2 206.293 1.108 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309892508 347194286 /nfs/dbraw/zinc/19/42/86/347194286.db2.gz DEZMSMNBJRGGEM-NWDGAFQWSA-N 2 2 223.364 1.999 20 30 BDEDLP C=CCNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000195523084 347457346 /nfs/dbraw/zinc/45/73/46/347457346.db2.gz FNQLANRBGAQKCA-UHFFFAOYSA-N 2 2 246.358 1.209 20 30 BDEDLP C=CCNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000195523084 347457349 /nfs/dbraw/zinc/45/73/49/347457349.db2.gz FNQLANRBGAQKCA-UHFFFAOYSA-N 2 2 246.358 1.209 20 30 BDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000591577132 347676859 /nfs/dbraw/zinc/67/68/59/347676859.db2.gz LQBYTVGVTAXTLC-HIFRSBDPSA-N 2 2 241.338 1.887 20 30 BDEDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000591577348 347677368 /nfs/dbraw/zinc/67/73/68/347677368.db2.gz USRAREVNLFILAQ-NSHDSACASA-N 2 2 229.327 1.961 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726532 347692715 /nfs/dbraw/zinc/69/27/15/347692715.db2.gz HNRVOOSJQULVOV-MCIONIFRSA-N 2 2 246.358 1.646 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726532 347692719 /nfs/dbraw/zinc/69/27/19/347692719.db2.gz HNRVOOSJQULVOV-MCIONIFRSA-N 2 2 246.358 1.646 20 30 BDEDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592493909 347787791 /nfs/dbraw/zinc/78/77/91/347787791.db2.gz JGCROXDDDCSPOF-ZDUSSCGKSA-N 2 2 244.342 1.431 20 30 BDEDLP C=CCSCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594921699 348155792 /nfs/dbraw/zinc/15/57/92/348155792.db2.gz RJOUNMYENJJSBB-UHFFFAOYSA-N 2 2 237.372 1.838 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000596106322 348440924 /nfs/dbraw/zinc/44/09/24/348440924.db2.gz OHAGROMTSUDOIW-SNVBAGLBSA-N 2 2 203.289 1.256 20 30 BDEDLP Cc1cc(N(C)CC2C[NH+](C)C2)c(C#N)c[nH+]1 ZINC000596452695 348551715 /nfs/dbraw/zinc/55/17/15/348551715.db2.gz FNBVOPQJJLWTEW-UHFFFAOYSA-N 2 2 230.315 1.260 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000389092021 348837221 /nfs/dbraw/zinc/83/72/21/348837221.db2.gz AGYMAHMHHRTEOR-GFCCVEGCSA-N 2 2 232.331 1.081 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000389092021 348837222 /nfs/dbraw/zinc/83/72/22/348837222.db2.gz AGYMAHMHHRTEOR-GFCCVEGCSA-N 2 2 232.331 1.081 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000598683978 349015841 /nfs/dbraw/zinc/01/58/41/349015841.db2.gz UYYIBNIYVNRRDG-GJZGRUSLSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000598683978 349015843 /nfs/dbraw/zinc/01/58/43/349015843.db2.gz UYYIBNIYVNRRDG-GJZGRUSLSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000598683976 349016049 /nfs/dbraw/zinc/01/60/49/349016049.db2.gz UYYIBNIYVNRRDG-CABCVRRESA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000598683976 349016054 /nfs/dbraw/zinc/01/60/54/349016054.db2.gz UYYIBNIYVNRRDG-CABCVRRESA-N 2 2 241.338 1.871 20 30 BDEDLP C[C@](C[NH3+])([NH2+]Cc1ccccc1C#N)C1CC1 ZINC000598680273 349021779 /nfs/dbraw/zinc/02/17/79/349021779.db2.gz UREKUAMAPQYKNT-CQSZACIVSA-N 2 2 229.327 1.775 20 30 BDEDLP CC1([NH3+])CC[NH+](Cc2ccccc2C#N)CC1 ZINC000598679751 349021817 /nfs/dbraw/zinc/02/18/17/349021817.db2.gz MFHNMFXAOWMXFV-UHFFFAOYSA-N 2 2 229.327 1.871 20 30 BDEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000598680298 349021904 /nfs/dbraw/zinc/02/19/04/349021904.db2.gz VSEZHHYLSMVIEU-ZIAGYGMSSA-N 2 2 229.327 1.918 20 30 BDEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598720842 349027775 /nfs/dbraw/zinc/02/77/75/349027775.db2.gz TVXRRSAHVYIFDF-GJZGRUSLSA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598720842 349027777 /nfs/dbraw/zinc/02/77/77/349027777.db2.gz TVXRRSAHVYIFDF-GJZGRUSLSA-N 2 2 241.338 1.871 20 30 BDEDLP C[C@@H](C#N)C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000336698566 350452599 /nfs/dbraw/zinc/45/25/99/350452599.db2.gz JJRVJLPCAMMARO-NSHDSACASA-N 2 2 218.304 1.507 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000336698566 350452602 /nfs/dbraw/zinc/45/26/02/350452602.db2.gz JJRVJLPCAMMARO-NSHDSACASA-N 2 2 218.304 1.507 20 30 BDEDLP Cc1[nH+]ccn1CCCC[NH+]1CC(C)(C#N)C1 ZINC000563352463 350823022 /nfs/dbraw/zinc/82/30/22/350823022.db2.gz DOFCTAJTFQAJHB-UHFFFAOYSA-N 2 2 232.331 1.817 20 30 BDEDLP C=CC[N@@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000292099945 352301982 /nfs/dbraw/zinc/30/19/82/352301982.db2.gz GHCAQKJIOGBKSL-UHFFFAOYSA-N 2 2 232.331 1.983 20 30 BDEDLP C=CC[N@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000292099945 352301984 /nfs/dbraw/zinc/30/19/84/352301984.db2.gz GHCAQKJIOGBKSL-UHFFFAOYSA-N 2 2 232.331 1.983 20 30 BDEDLP Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000398984156 353417035 /nfs/dbraw/zinc/41/70/35/353417035.db2.gz HFHIGYQJJZCIMQ-GXFFZTMASA-N 2 2 244.342 1.683 20 30 BDEDLP Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000398984158 353417191 /nfs/dbraw/zinc/41/71/91/353417191.db2.gz HFHIGYQJJZCIMQ-MFKMUULPSA-N 2 2 244.342 1.683 20 30 BDEDLP C=C[C@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000289438342 353628707 /nfs/dbraw/zinc/62/87/07/353628707.db2.gz AKJBNQOEETXCLI-LLVKDONJSA-N 2 2 231.299 1.279 20 30 BDEDLP C=CC[NH+](CC=C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289926374 353643232 /nfs/dbraw/zinc/64/32/32/353643232.db2.gz OYHFKUPZCLQOSN-CYBMUJFWSA-N 2 2 224.348 1.116 20 30 BDEDLP C=CC[NH+](CC=C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289926374 353643234 /nfs/dbraw/zinc/64/32/34/353643234.db2.gz OYHFKUPZCLQOSN-CYBMUJFWSA-N 2 2 224.348 1.116 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336782201 353710439 /nfs/dbraw/zinc/71/04/39/353710439.db2.gz WXZCWTNAOFBICF-QWHCGFSZSA-N 2 2 226.364 1.509 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336782201 353710441 /nfs/dbraw/zinc/71/04/41/353710441.db2.gz WXZCWTNAOFBICF-QWHCGFSZSA-N 2 2 226.364 1.509 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000135123289 181107827 /nfs/dbraw/zinc/10/78/27/181107827.db2.gz IPLICVRYTAXWNR-UHFFFAOYSA-N 2 2 230.271 1.528 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000082642951 181103741 /nfs/dbraw/zinc/10/37/41/181103741.db2.gz JXNJGBZOTOHVGF-ZDUSSCGKSA-N 2 2 215.300 1.481 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000082642951 181103742 /nfs/dbraw/zinc/10/37/42/181103742.db2.gz JXNJGBZOTOHVGF-ZDUSSCGKSA-N 2 2 215.300 1.481 20 30 BDEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759639 356878266 /nfs/dbraw/zinc/87/82/66/356878266.db2.gz UKPKCRFRSHBJSK-BFHYXJOUSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759639 356878270 /nfs/dbraw/zinc/87/82/70/356878270.db2.gz UKPKCRFRSHBJSK-BFHYXJOUSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582309262 357048026 /nfs/dbraw/zinc/04/80/26/357048026.db2.gz WQEYSVCUYCWPCK-UHFFFAOYSA-N 2 2 220.320 1.498 20 30 BDEDLP CCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264105444 535423106 /nfs/dbraw/zinc/42/31/06/535423106.db2.gz PGPHKYYYPNYAGQ-JTQLQIEISA-N 2 2 240.376 1.275 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000126832507 358556861 /nfs/dbraw/zinc/55/68/61/358556861.db2.gz UBLJQAVLXMHJTG-QWHCGFSZSA-N 2 2 225.380 1.177 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000126832507 358556862 /nfs/dbraw/zinc/55/68/62/358556862.db2.gz UBLJQAVLXMHJTG-QWHCGFSZSA-N 2 2 225.380 1.177 20 30 BDEDLP N#CC1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000611429551 359367258 /nfs/dbraw/zinc/36/72/58/359367258.db2.gz OJHCVJWOSGSHNQ-GFCCVEGCSA-N 2 2 230.315 1.824 20 30 BDEDLP N#CC1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000611429551 359367259 /nfs/dbraw/zinc/36/72/59/359367259.db2.gz OJHCVJWOSGSHNQ-GFCCVEGCSA-N 2 2 230.315 1.824 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161617 359713024 /nfs/dbraw/zinc/71/30/24/359713024.db2.gz UNDFUARJNISQEL-CYBMUJFWSA-N 2 2 232.331 1.817 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161617 359713030 /nfs/dbraw/zinc/71/30/30/359713030.db2.gz UNDFUARJNISQEL-CYBMUJFWSA-N 2 2 232.331 1.817 20 30 BDEDLP C=CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003594 360053152 /nfs/dbraw/zinc/05/31/52/360053152.db2.gz BINWZHWAZZMTFO-LBPRGKRZSA-N 2 2 219.332 1.861 20 30 BDEDLP N#CCC[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000580769665 366900067 /nfs/dbraw/zinc/90/00/67/366900067.db2.gz ZKXKSLWOPBHGSD-UHFFFAOYSA-N 2 2 200.245 1.338 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735551 203346998 /nfs/dbraw/zinc/34/69/98/203346998.db2.gz TWSBMPQBFZQFGX-NEPJUHHUSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735551 203347001 /nfs/dbraw/zinc/34/70/01/203347001.db2.gz TWSBMPQBFZQFGX-NEPJUHHUSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735555 203348176 /nfs/dbraw/zinc/34/81/76/203348176.db2.gz TWSBMPQBFZQFGX-NWDGAFQWSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735555 203348179 /nfs/dbraw/zinc/34/81/79/203348179.db2.gz TWSBMPQBFZQFGX-NWDGAFQWSA-N 2 2 223.364 1.856 20 30 BDEDLP CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769781 369562586 /nfs/dbraw/zinc/56/25/86/369562586.db2.gz ZWLXJNMSXMRHHN-GXFFZTMASA-N 2 2 233.315 1.710 20 30 BDEDLP CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769781 369562587 /nfs/dbraw/zinc/56/25/87/369562587.db2.gz ZWLXJNMSXMRHHN-GXFFZTMASA-N 2 2 233.315 1.710 20 30 BDEDLP C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CCC[NH2+]C1 ZINC000600769792 369563551 /nfs/dbraw/zinc/56/35/51/369563551.db2.gz RHVAGQQTRLVTKJ-CYBMUJFWSA-N 2 2 233.315 1.631 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227897 371415604 /nfs/dbraw/zinc/41/56/04/371415604.db2.gz BSZWBHZDSPBTPB-RWMBFGLXSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227897 371415609 /nfs/dbraw/zinc/41/56/09/371415609.db2.gz BSZWBHZDSPBTPB-RWMBFGLXSA-N 2 2 226.364 1.243 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)COC)CC1 ZINC000167404201 206146357 /nfs/dbraw/zinc/14/63/57/206146357.db2.gz ZWPTWEDCNLXWED-LBPRGKRZSA-N 2 2 226.364 1.651 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CCCCC#N)C[N@@H+]1C1CC1 ZINC000167263432 206144305 /nfs/dbraw/zinc/14/43/05/206144305.db2.gz FWLYDWNJPGQBIE-NWDGAFQWSA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CCCCC#N)C[N@H+]1C1CC1 ZINC000167263432 206144310 /nfs/dbraw/zinc/14/43/10/206144310.db2.gz FWLYDWNJPGQBIE-NWDGAFQWSA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CCCCC#N)C[N@@H+]1C1CC1 ZINC000167263137 206145285 /nfs/dbraw/zinc/14/52/85/206145285.db2.gz FWLYDWNJPGQBIE-NEPJUHHUSA-N 2 2 221.348 1.895 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CCCCC#N)C[N@H+]1C1CC1 ZINC000167263137 206145288 /nfs/dbraw/zinc/14/52/88/206145288.db2.gz FWLYDWNJPGQBIE-NEPJUHHUSA-N 2 2 221.348 1.895 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308675922 383999483 /nfs/dbraw/zinc/99/94/83/383999483.db2.gz WDTOLFMAPMZICT-QWRGUYRKSA-N 2 2 214.378 1.445 20 30 BDEDLP C=CCSCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308675922 383999486 /nfs/dbraw/zinc/99/94/86/383999486.db2.gz WDTOLFMAPMZICT-QWRGUYRKSA-N 2 2 214.378 1.445 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000449127148 385125720 /nfs/dbraw/zinc/12/57/20/385125720.db2.gz WKOZJDZGMIPVEN-SGMGOOAPSA-N 2 2 238.375 1.792 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000308857010 385219496 /nfs/dbraw/zinc/21/94/96/385219496.db2.gz RRRIFYWDRRVNLX-WDEREUQCSA-N 2 2 204.277 1.165 20 30 BDEDLP CCN(CC)C(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905251 385455234 /nfs/dbraw/zinc/45/52/34/385455234.db2.gz WVXVAENJFQSCMY-UHFFFAOYSA-N 2 2 249.362 1.540 20 30 BDEDLP CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152740 385567420 /nfs/dbraw/zinc/56/74/20/385567420.db2.gz CKZJJGIMVLLVHY-CYBMUJFWSA-N 2 2 239.363 1.069 20 30 BDEDLP CC[NH+](CC)CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152740 385567423 /nfs/dbraw/zinc/56/74/23/385567423.db2.gz CKZJJGIMVLLVHY-CYBMUJFWSA-N 2 2 239.363 1.069 20 30 BDEDLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309489059 385619261 /nfs/dbraw/zinc/61/92/61/385619261.db2.gz WLLOIJMDBAWMPS-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309489059 385619268 /nfs/dbraw/zinc/61/92/68/385619268.db2.gz WLLOIJMDBAWMPS-VXGBXAGGSA-N 2 2 221.348 1.753 20 30 BDEDLP C=CCOc1cccc(C[NH2+]CC[NH2+]C)c1 ZINC000414824884 386688279 /nfs/dbraw/zinc/68/82/79/386688279.db2.gz RPXKUOYOMKCWSC-UHFFFAOYSA-N 2 2 220.316 1.560 20 30 BDEDLP N#CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000418144967 387166923 /nfs/dbraw/zinc/16/69/23/387166923.db2.gz WCIRWKNPQCAGNO-UHFFFAOYSA-N 2 2 233.359 1.897 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423375158 387256554 /nfs/dbraw/zinc/25/65/54/387256554.db2.gz XOJDWMXCUFJYDD-NDBYEHHHSA-N 2 2 221.348 1.656 20 30 BDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423524436 387355151 /nfs/dbraw/zinc/35/51/51/387355151.db2.gz OOWPZKUPRNAEKV-TUAOUCFPSA-N 2 2 212.337 1.165 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423125453 387905965 /nfs/dbraw/zinc/90/59/65/387905965.db2.gz QLTUKCCKXHRQDN-ICCXJUOJSA-N 2 2 218.300 1.268 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000453357990 388058049 /nfs/dbraw/zinc/05/80/49/388058049.db2.gz NAOBIASZPLSRIW-LPWJVIDDSA-N 2 2 224.348 1.260 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000453357990 388058052 /nfs/dbraw/zinc/05/80/52/388058052.db2.gz NAOBIASZPLSRIW-LPWJVIDDSA-N 2 2 224.348 1.260 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449394863 388193004 /nfs/dbraw/zinc/19/30/04/388193004.db2.gz HGPFBKDYCYXEKU-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449394863 388193006 /nfs/dbraw/zinc/19/30/06/388193006.db2.gz HGPFBKDYCYXEKU-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573134244 388422529 /nfs/dbraw/zinc/42/25/29/388422529.db2.gz CFTZBTHWIMATJN-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573134244 388422531 /nfs/dbraw/zinc/42/25/31/388422531.db2.gz CFTZBTHWIMATJN-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573134244 388422534 /nfs/dbraw/zinc/42/25/34/388422534.db2.gz CFTZBTHWIMATJN-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573134244 388422536 /nfs/dbraw/zinc/42/25/36/388422536.db2.gz CFTZBTHWIMATJN-QWHCGFSZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000573267190 388437011 /nfs/dbraw/zinc/43/70/11/388437011.db2.gz AEXIIIMXLNHDQR-OCCSQVGLSA-N 2 2 249.358 1.799 20 30 BDEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000564202428 388681611 /nfs/dbraw/zinc/68/16/11/388681611.db2.gz IZOPXHAOAFCDRM-KGLIPLIRSA-N 2 2 248.374 1.751 20 30 BDEDLP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000564202428 388681614 /nfs/dbraw/zinc/68/16/14/388681614.db2.gz IZOPXHAOAFCDRM-KGLIPLIRSA-N 2 2 248.374 1.751 20 30 BDEDLP C[NH2+]CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423226092 388690036 /nfs/dbraw/zinc/69/00/36/388690036.db2.gz PJIWLYIKROZHBS-SNVBAGLBSA-N 2 2 203.289 1.428 20 30 BDEDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423224623 388690166 /nfs/dbraw/zinc/69/01/66/388690166.db2.gz JPCPODULDKYMHE-SNVBAGLBSA-N 2 2 203.289 1.428 20 30 BDEDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423361966 388691573 /nfs/dbraw/zinc/69/15/73/388691573.db2.gz HHEWEDLCSQSLQW-IUCAKERBSA-N 2 2 221.279 1.695 20 30 BDEDLP C[NH+](C)CCOc1ccccc1C[NH2+]CCC#N ZINC000564793752 388889509 /nfs/dbraw/zinc/88/95/09/388889509.db2.gz KROOSWLNPKWJDZ-UHFFFAOYSA-N 2 2 247.342 1.630 20 30 BDEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000404651591 533444480 /nfs/dbraw/zinc/44/44/80/533444480.db2.gz RIFOAOSCGRFPQQ-QMTHXVAHSA-N 2 2 247.317 1.927 20 30 BDEDLP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C#N)c[nH+]1 ZINC000333232614 132309883 /nfs/dbraw/zinc/30/98/83/132309883.db2.gz CJCXPPIUXBKDOL-AAEUAGOBSA-N 2 2 242.326 1.307 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954207 134022381 /nfs/dbraw/zinc/02/23/81/134022381.db2.gz RUNXJMWPASZSBA-RISCZKNCSA-N 2 2 229.327 1.598 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335954207 134022382 /nfs/dbraw/zinc/02/23/82/134022382.db2.gz RUNXJMWPASZSBA-RISCZKNCSA-N 2 2 229.327 1.598 20 30 BDEDLP C#CC[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000112358372 135026463 /nfs/dbraw/zinc/02/64/63/135026463.db2.gz ZHYVBIZSRMNPMP-UHFFFAOYSA-N 2 2 249.402 1.112 20 30 BDEDLP C#CCN1CC[NH+](C2CC[NH+](CCC)CC2)CC1 ZINC000112358372 135026464 /nfs/dbraw/zinc/02/64/64/135026464.db2.gz ZHYVBIZSRMNPMP-UHFFFAOYSA-N 2 2 249.402 1.112 20 30 BDEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[NH+](C)C)N1 ZINC000262672488 135120959 /nfs/dbraw/zinc/12/09/59/135120959.db2.gz RUEFIILSSFYBNQ-YPMHNXCESA-N 2 2 246.358 1.227 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367049607 136114587 /nfs/dbraw/zinc/11/45/87/136114587.db2.gz HPHHEDSYUUUGRK-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367049607 136114588 /nfs/dbraw/zinc/11/45/88/136114588.db2.gz HPHHEDSYUUUGRK-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655729661 411375099 /nfs/dbraw/zinc/37/50/99/411375099.db2.gz ICKCITYIVDJWJV-OCCSQVGLSA-N 2 2 238.375 1.794 20 30 BDEDLP CC#CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322725 412101327 /nfs/dbraw/zinc/10/13/27/412101327.db2.gz XIRWVDFSLFSSQW-ZDUSSCGKSA-N 2 2 224.348 1.052 20 30 BDEDLP CC#CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322725 412101329 /nfs/dbraw/zinc/10/13/29/412101329.db2.gz XIRWVDFSLFSSQW-ZDUSSCGKSA-N 2 2 224.348 1.052 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000852750393 588699789 /nfs/dbraw/zinc/69/97/89/588699789.db2.gz SYVXJRZELZQKRB-SZEHBUNVSA-N 2 2 202.729 1.715 20 30 BDEDLP Fc1ccc(C#CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000676557686 487873454 /nfs/dbraw/zinc/87/34/54/487873454.db2.gz ZWYXBBDLBORAOK-ZIAGYGMSSA-N 2 2 244.313 1.328 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000571127980 323136137 /nfs/dbraw/zinc/13/61/37/323136137.db2.gz GJGOBAMUQSJXON-STQMWFEESA-N 2 2 232.331 1.945 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313340894 326263554 /nfs/dbraw/zinc/26/35/54/326263554.db2.gz AWPYAWOFYSMVFX-AWEZNQCLSA-N 2 2 245.326 1.108 20 30 BDEDLP N#Cc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313340894 326263555 /nfs/dbraw/zinc/26/35/55/326263555.db2.gz AWPYAWOFYSMVFX-AWEZNQCLSA-N 2 2 245.326 1.108 20 30 BDEDLP C=CC[NH+](CC=C)Cc1c[nH+]c(C)n1C ZINC000667472333 488018677 /nfs/dbraw/zinc/01/86/77/488018677.db2.gz CVIPLGMUCKVUGX-UHFFFAOYSA-N 2 2 205.305 1.903 20 30 BDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC#CCOC)C1 ZINC000677479870 488049273 /nfs/dbraw/zinc/04/92/73/488049273.db2.gz QGTURSZWBNPBIE-AWEZNQCLSA-N 2 2 238.375 1.300 20 30 BDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC#CCOC)C1 ZINC000677479870 488049276 /nfs/dbraw/zinc/04/92/76/488049276.db2.gz QGTURSZWBNPBIE-AWEZNQCLSA-N 2 2 238.375 1.300 20 30 BDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC000677479870 488049279 /nfs/dbraw/zinc/04/92/79/488049279.db2.gz QGTURSZWBNPBIE-AWEZNQCLSA-N 2 2 238.375 1.300 20 30 BDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC000677479870 488049282 /nfs/dbraw/zinc/04/92/82/488049282.db2.gz QGTURSZWBNPBIE-AWEZNQCLSA-N 2 2 238.375 1.300 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000677479546 488106592 /nfs/dbraw/zinc/10/65/92/488106592.db2.gz OWWUWLDNQSDMCU-CYBMUJFWSA-N 2 2 235.331 1.457 20 30 BDEDLP C(#Cc1ccccc1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322379 491124308 /nfs/dbraw/zinc/12/43/08/491124308.db2.gz UTHKHTCRWODMHN-GASCZTMLSA-N 2 2 226.323 1.189 20 30 BDEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322379 491124309 /nfs/dbraw/zinc/12/43/09/491124309.db2.gz UTHKHTCRWODMHN-GASCZTMLSA-N 2 2 226.323 1.189 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000121522641 534778497 /nfs/dbraw/zinc/77/84/97/534778497.db2.gz CKCVQYVHQKEHHC-QWHCGFSZSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000121522641 534778509 /nfs/dbraw/zinc/77/85/09/534778509.db2.gz CKCVQYVHQKEHHC-QWHCGFSZSA-N 2 2 238.375 1.794 20 30 BDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CC2)cc1 ZINC000268631341 535994064 /nfs/dbraw/zinc/99/40/64/535994064.db2.gz XMXIBISIPCBSAI-UHFFFAOYSA-N 2 2 247.342 1.795 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000775571118 583093782 /nfs/dbraw/zinc/09/37/82/583093782.db2.gz AJKIZGMBMNVAML-KBXIAJHMSA-N 2 2 248.370 1.384 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000775571118 583093783 /nfs/dbraw/zinc/09/37/83/583093783.db2.gz AJKIZGMBMNVAML-KBXIAJHMSA-N 2 2 248.370 1.384 20 30 BDEDLP C#CC[N@H+](C)CCCNc1nccn2c[nH+]cc12 ZINC000893988469 583270671 /nfs/dbraw/zinc/27/06/71/583270671.db2.gz CANANWNXOHSKIV-UHFFFAOYSA-N 2 2 243.314 1.096 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1nccn2c[nH+]cc12 ZINC000893988469 583270675 /nfs/dbraw/zinc/27/06/75/583270675.db2.gz CANANWNXOHSKIV-UHFFFAOYSA-N 2 2 243.314 1.096 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(F)cc1C ZINC000894638718 583498191 /nfs/dbraw/zinc/49/81/91/583498191.db2.gz DLRGNHCKIFQNCB-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(F)cc1C ZINC000894638718 583498194 /nfs/dbraw/zinc/49/81/94/583498194.db2.gz DLRGNHCKIFQNCB-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000896554090 583811665 /nfs/dbraw/zinc/81/16/65/583811665.db2.gz GPIQSXCXSSGIDA-GRYCIOLGSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000896554090 583811667 /nfs/dbraw/zinc/81/16/67/583811667.db2.gz GPIQSXCXSSGIDA-GRYCIOLGSA-N 2 2 209.337 1.608 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000872140294 583947853 /nfs/dbraw/zinc/94/78/53/583947853.db2.gz IRMRQNMWDNYZEU-SYQHCUMBSA-N 2 2 220.360 1.718 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000872140294 583947854 /nfs/dbraw/zinc/94/78/54/583947854.db2.gz IRMRQNMWDNYZEU-SYQHCUMBSA-N 2 2 220.360 1.718 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000872140295 583947857 /nfs/dbraw/zinc/94/78/57/583947857.db2.gz IRMRQNMWDNYZEU-XDQVBPFNSA-N 2 2 220.360 1.718 20 30 BDEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000872140295 583947858 /nfs/dbraw/zinc/94/78/58/583947858.db2.gz IRMRQNMWDNYZEU-XDQVBPFNSA-N 2 2 220.360 1.718 20 30 BDEDLP C=C(CC[NH+](C)C)C(=O)Nc1cc[nH+]cc1C ZINC000900618933 584332837 /nfs/dbraw/zinc/33/28/37/584332837.db2.gz LDFIZXCASVDEEI-UHFFFAOYSA-N 2 2 233.315 1.258 20 30 BDEDLP CCN(CC)c1ccc(C=[NH+]NC(N)=[NH2+])cc1 ZINC000017324435 584924776 /nfs/dbraw/zinc/92/47/76/584924776.db2.gz USSKVRINIDXTJL-UHFFFAOYSA-N 2 2 233.319 1.350 20 30 BDEDLP C#C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000839020855 585087720 /nfs/dbraw/zinc/08/77/20/585087720.db2.gz KAJYAHPPRKTTFZ-CABCVRRESA-N 2 2 248.370 1.384 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027483 585569883 /nfs/dbraw/zinc/56/98/83/585569883.db2.gz UEDPHUHZMMVGLH-CHWSQXEVSA-N 2 2 249.358 1.537 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027483 585569884 /nfs/dbraw/zinc/56/98/84/585569884.db2.gz UEDPHUHZMMVGLH-CHWSQXEVSA-N 2 2 249.358 1.537 20 30 BDEDLP C#C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000775796487 585685143 /nfs/dbraw/zinc/68/51/43/585685143.db2.gz YQAKDOULMBXCNL-STQMWFEESA-N 2 2 233.315 1.044 20 30 BDEDLP N#CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000787300149 585906210 /nfs/dbraw/zinc/90/62/10/585906210.db2.gz FWIAPDCRYYSEEZ-UHFFFAOYSA-N 2 2 227.271 1.271 20 30 BDEDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817917351 586839985 /nfs/dbraw/zinc/83/99/85/586839985.db2.gz DWNNICAQQLMOLQ-AAEUAGOBSA-N 2 2 245.326 1.601 20 30 BDEDLP C#C[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CCOCC1 ZINC000827554883 587387621 /nfs/dbraw/zinc/38/76/21/587387621.db2.gz KKQGJUIDRBUIAW-AWEZNQCLSA-N 2 2 247.342 1.247 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846839518 588292416 /nfs/dbraw/zinc/29/24/16/588292416.db2.gz VSORATJBDSAJBC-RYUDHWBXSA-N 2 2 248.330 1.138 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846839518 588292417 /nfs/dbraw/zinc/29/24/17/588292417.db2.gz VSORATJBDSAJBC-RYUDHWBXSA-N 2 2 248.330 1.138 20 30 BDEDLP C#CC[C@@H](COC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000862548378 589219961 /nfs/dbraw/zinc/21/99/61/589219961.db2.gz DWULSJICMAYZAR-HNNXBMFYSA-N 2 2 246.354 1.951 20 30 BDEDLP C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000871788431 589818422 /nfs/dbraw/zinc/81/84/22/589818422.db2.gz KYGWHECQJWBSOJ-SFYZADRCSA-N 2 2 242.710 1.637 20 30 BDEDLP CCNc1ccccc1C=[NH+]NC1=[NH+]CCN1 ZINC000872386052 589930110 /nfs/dbraw/zinc/93/01/10/589930110.db2.gz YXAIZWPIWSMLCW-UHFFFAOYSA-N 2 2 231.303 1.001 20 30 BDEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000125011804 590112599 /nfs/dbraw/zinc/11/25/99/590112599.db2.gz HQJABMYIWBVPNJ-NXEZZACHSA-N 2 2 247.180 1.967 20 30 BDEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000125011804 590112600 /nfs/dbraw/zinc/11/26/00/590112600.db2.gz HQJABMYIWBVPNJ-NXEZZACHSA-N 2 2 247.180 1.967 20 30 BDEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000125011989 590112723 /nfs/dbraw/zinc/11/27/23/590112723.db2.gz HQJABMYIWBVPNJ-VHSXEESVSA-N 2 2 247.180 1.967 20 30 BDEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000125011989 590112724 /nfs/dbraw/zinc/11/27/24/590112724.db2.gz HQJABMYIWBVPNJ-VHSXEESVSA-N 2 2 247.180 1.967 20 30 BDEDLP C#CC[N@H+](CCCn1cc[nH+]c1)C1CSC1 ZINC000878912089 590648491 /nfs/dbraw/zinc/64/84/91/590648491.db2.gz YMWNWXUSFFTSPK-UHFFFAOYSA-N 2 2 235.356 1.324 20 30 BDEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)C1CSC1 ZINC000878912089 590648493 /nfs/dbraw/zinc/64/84/93/590648493.db2.gz YMWNWXUSFFTSPK-UHFFFAOYSA-N 2 2 235.356 1.324 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573002 590810533 /nfs/dbraw/zinc/81/05/33/590810533.db2.gz TXDRKTLUOYAXTR-QWRGUYRKSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573002 590810535 /nfs/dbraw/zinc/81/05/35/590810535.db2.gz TXDRKTLUOYAXTR-QWRGUYRKSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573002 590810540 /nfs/dbraw/zinc/81/05/40/590810540.db2.gz TXDRKTLUOYAXTR-QWRGUYRKSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573002 590810545 /nfs/dbraw/zinc/81/05/45/590810545.db2.gz TXDRKTLUOYAXTR-QWRGUYRKSA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(C)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208848 590958974 /nfs/dbraw/zinc/95/89/74/590958974.db2.gz WCNMZGRFJHMTFZ-CQSZACIVSA-N 2 2 238.375 1.796 20 30 BDEDLP C=C(C)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208848 590958975 /nfs/dbraw/zinc/95/89/75/590958975.db2.gz WCNMZGRFJHMTFZ-CQSZACIVSA-N 2 2 238.375 1.796 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cc[nH+]c(CC)n1 ZINC000884516139 591963384 /nfs/dbraw/zinc/96/33/84/591963384.db2.gz CFJYTGRHKMYOHP-UHFFFAOYSA-N 2 2 232.331 1.406 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000189073976 636608290 /nfs/dbraw/zinc/60/82/90/636608290.db2.gz CGJXVKGGUVTDPP-UHFFFAOYSA-N 2 2 249.333 1.961 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378883 644391181 /nfs/dbraw/zinc/39/11/81/644391181.db2.gz GBAFWLWHSPEIBD-QWHCGFSZSA-N 2 2 224.348 1.141 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923378883 644391184 /nfs/dbraw/zinc/39/11/84/644391184.db2.gz GBAFWLWHSPEIBD-QWHCGFSZSA-N 2 2 224.348 1.141 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923414905 644417554 /nfs/dbraw/zinc/41/75/54/644417554.db2.gz DQHBMSFEIVWGSZ-RWMBFGLXSA-N 2 2 224.348 1.140 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923414905 644417556 /nfs/dbraw/zinc/41/75/56/644417556.db2.gz DQHBMSFEIVWGSZ-RWMBFGLXSA-N 2 2 224.348 1.140 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779743 646310127 /nfs/dbraw/zinc/31/01/27/646310127.db2.gz IISMKSXGLPIBMF-RWMBFGLXSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779743 646310132 /nfs/dbraw/zinc/31/01/32/646310132.db2.gz IISMKSXGLPIBMF-RWMBFGLXSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779743 646310147 /nfs/dbraw/zinc/31/01/47/646310147.db2.gz IISMKSXGLPIBMF-RWMBFGLXSA-N 2 2 239.363 1.066 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779743 646310153 /nfs/dbraw/zinc/31/01/53/646310153.db2.gz IISMKSXGLPIBMF-RWMBFGLXSA-N 2 2 239.363 1.066 20 30 BDEDLP CCNC(NCCCCn1cc[nH+]c1)=[NH+]CC ZINC000395806523 711215554 /nfs/dbraw/zinc/21/55/54/711215554.db2.gz HQSDMVFEUDBDCJ-UHFFFAOYSA-N 2 2 237.351 1.238 20 30 BDEDLP C[C@H](C#N)OCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709892834 712231227 /nfs/dbraw/zinc/23/12/27/712231227.db2.gz MCQXONZDHHLBCQ-GFCCVEGCSA-N 2 2 239.363 1.331 20 30 BDEDLP CCc1nc(NCC#CC[NH+](C)C)cc(C)[nH+]1 ZINC000717606908 712662404 /nfs/dbraw/zinc/66/24/04/712662404.db2.gz SKSALSRHHLXLBQ-UHFFFAOYSA-N 2 2 232.331 1.324 20 30 BDEDLP C[C@H](CCC#N)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718931728 712788792 /nfs/dbraw/zinc/78/87/92/712788792.db2.gz SGHRQGXUMSTPJA-UPJWGTAASA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@H](CCC#N)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718931728 712788795 /nfs/dbraw/zinc/78/87/95/712788795.db2.gz SGHRQGXUMSTPJA-UPJWGTAASA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000718931728 712788796 /nfs/dbraw/zinc/78/87/96/712788796.db2.gz SGHRQGXUMSTPJA-UPJWGTAASA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000718931728 712788798 /nfs/dbraw/zinc/78/87/98/712788798.db2.gz SGHRQGXUMSTPJA-UPJWGTAASA-N 2 2 221.348 1.847 20 30 BDEDLP C#CCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720433463 712842498 /nfs/dbraw/zinc/84/24/98/712842498.db2.gz QHSCPIAHBGIZMP-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720433463 712842499 /nfs/dbraw/zinc/84/24/99/712842499.db2.gz QHSCPIAHBGIZMP-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720433463 712842502 /nfs/dbraw/zinc/84/25/02/712842502.db2.gz QHSCPIAHBGIZMP-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720433463 712842503 /nfs/dbraw/zinc/84/25/03/712842503.db2.gz QHSCPIAHBGIZMP-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C=CCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209163764 969358763 /nfs/dbraw/zinc/35/87/63/969358763.db2.gz KTKMSRUAOQTTMN-QWHCGFSZSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209163764 969358767 /nfs/dbraw/zinc/35/87/67/969358767.db2.gz KTKMSRUAOQTTMN-QWHCGFSZSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209163764 969358773 /nfs/dbraw/zinc/35/87/73/969358773.db2.gz KTKMSRUAOQTTMN-QWHCGFSZSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209163764 969358777 /nfs/dbraw/zinc/35/87/77/969358777.db2.gz KTKMSRUAOQTTMN-QWHCGFSZSA-N 2 2 208.349 1.979 20 30 BDEDLP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C#N)o1 ZINC001331846020 974834994 /nfs/dbraw/zinc/83/49/94/974834994.db2.gz BIYGMICRHPVCAI-VIFPVBQESA-N 2 2 207.277 1.096 20 30 BDEDLP C#CC1([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC001257208464 971127653 /nfs/dbraw/zinc/12/76/53/971127653.db2.gz HJPOXKWCQUBKLQ-UHFFFAOYSA-N 2 2 206.333 1.615 20 30 BDEDLP C=CC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560594 971209985 /nfs/dbraw/zinc/20/99/85/971209985.db2.gz UYCLFDUEEUWMNS-UHFFFAOYSA-N 2 2 247.342 1.512 20 30 BDEDLP C[C@@H]([NH3+])CCNc1ccc(CC#N)c[nH+]1 ZINC001170886825 972033096 /nfs/dbraw/zinc/03/30/96/972033096.db2.gz IPRQGTUBLVIDSZ-SECBINFHSA-N 2 2 204.277 1.297 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000924984022 962812920 /nfs/dbraw/zinc/81/29/20/962812920.db2.gz LUESODFFUYTCES-YRGRVCCFSA-N 2 2 238.375 1.650 20 30 BDEDLP CN(c1cc(CC#N)cc[nH+]1)C1CC[NH2+]CC1 ZINC001156176107 963274204 /nfs/dbraw/zinc/27/42/04/963274204.db2.gz SHUKXGYFGNEOOR-UHFFFAOYSA-N 2 2 230.315 1.336 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235987579 966203428 /nfs/dbraw/zinc/20/34/28/966203428.db2.gz GOOZKQKVNAMKHD-LSDHHAIUSA-N 2 2 241.338 1.790 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235987579 966203438 /nfs/dbraw/zinc/20/34/38/966203438.db2.gz GOOZKQKVNAMKHD-LSDHHAIUSA-N 2 2 241.338 1.790 20 30 BDEDLP CCCCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339403 967548787 /nfs/dbraw/zinc/54/87/87/967548787.db2.gz IJAJCMWNQRWXTB-VXGBXAGGSA-N 2 2 214.353 1.351 20 30 BDEDLP CCCCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339403 967548807 /nfs/dbraw/zinc/54/88/07/967548807.db2.gz IJAJCMWNQRWXTB-VXGBXAGGSA-N 2 2 214.353 1.351 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001252587711 968841929 /nfs/dbraw/zinc/84/19/29/968841929.db2.gz VPVZBYBZKVRTIM-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001252587711 968841933 /nfs/dbraw/zinc/84/19/33/968841933.db2.gz VPVZBYBZKVRTIM-STQMWFEESA-N 2 2 226.364 1.387 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108229 969443875 /nfs/dbraw/zinc/44/38/75/969443875.db2.gz PLMPWPGZIYPZQR-FVCCEPFGSA-N 2 2 221.348 1.893 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108229 969443882 /nfs/dbraw/zinc/44/38/82/969443882.db2.gz PLMPWPGZIYPZQR-FVCCEPFGSA-N 2 2 221.348 1.893 20 30 BDEDLP C[C@@H]([NH3+])c1ccn(-c2cc[nH+]c(CC#N)c2)n1 ZINC001169235217 969485792 /nfs/dbraw/zinc/48/57/92/969485792.db2.gz SOXSHHAMEADGQZ-SECBINFHSA-N 2 2 227.271 1.353 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC001254509464 969681975 /nfs/dbraw/zinc/68/19/75/969681975.db2.gz NTTORNFOPCCLOP-NSHDSACASA-N 2 2 233.315 1.725 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC001254509464 969681982 /nfs/dbraw/zinc/68/19/82/969681982.db2.gz NTTORNFOPCCLOP-NSHDSACASA-N 2 2 233.315 1.725 20 30 BDEDLP N#CC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073217 970639720 /nfs/dbraw/zinc/63/97/20/970639720.db2.gz OYZZNAAYXPYAKT-UHFFFAOYSA-N 2 2 233.359 1.849 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906965 973398955 /nfs/dbraw/zinc/39/89/55/973398955.db2.gz DMZYDWNANOOFSD-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906965 973398960 /nfs/dbraw/zinc/39/89/60/973398960.db2.gz DMZYDWNANOOFSD-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP C=CCOC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922390 973506590 /nfs/dbraw/zinc/50/65/90/973506590.db2.gz WAWZIDMXEYLKJM-GFJIZPEISA-N 2 2 236.359 1.404 20 30 BDEDLP C=CCOC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922390 973506607 /nfs/dbraw/zinc/50/66/07/973506607.db2.gz WAWZIDMXEYLKJM-GFJIZPEISA-N 2 2 236.359 1.404 20 30 BDEDLP C#CCC[NH+]1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC001332683077 975248542 /nfs/dbraw/zinc/24/85/42/975248542.db2.gz GEWILVAXELLXMW-UHFFFAOYSA-N 2 2 246.358 1.167 20 30 BDEDLP C#Cc1cc(Nc2ccc3[nH+]ccn3c2)cc[nH+]1 ZINC001174276338 976504396 /nfs/dbraw/zinc/50/43/96/976504396.db2.gz XDSCOSYIYVPZSF-UHFFFAOYSA-N 2 2 234.262 1.876 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+][C@H]1CCn2c[nH+]cc2C1 ZINC001336821039 977983501 /nfs/dbraw/zinc/98/35/01/977983501.db2.gz YCESLXBIIAWBES-RYUDHWBXSA-N 2 2 243.314 1.231 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001349765947 981713757 /nfs/dbraw/zinc/71/37/57/981713757.db2.gz JCHBJOQFWXHWCJ-NSHDSACASA-N 2 2 233.319 1.224 20 30 BDEDLP C#C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001353297164 982822929 /nfs/dbraw/zinc/82/29/29/982822929.db2.gz DCCJFMXBBQFYHU-ZFWWWQNUSA-N 2 2 246.354 1.091 20 30 BDEDLP C#C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001353297164 982822931 /nfs/dbraw/zinc/82/29/31/982822931.db2.gz DCCJFMXBBQFYHU-ZFWWWQNUSA-N 2 2 246.354 1.091 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041251 986434637 /nfs/dbraw/zinc/43/46/37/986434637.db2.gz YHMYRNNMSRVRDF-KNZXXDILSA-N 2 2 205.305 1.161 20 30 BDEDLP CCCCCCC[C@@H](C)[NH2+]CC1(O)C[NH2+]C1 ZINC001246095959 987409226 /nfs/dbraw/zinc/40/92/26/987409226.db2.gz HQWWDGKYWGHSBT-GFCCVEGCSA-N 2 2 228.380 1.659 20 30 BDEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563340 988003613 /nfs/dbraw/zinc/00/36/13/988003613.db2.gz BVHLMJBEOQNUJL-KKOKHZNYSA-N 2 2 207.321 1.348 20 30 BDEDLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1[NH3+] ZINC001246563340 988003629 /nfs/dbraw/zinc/00/36/29/988003629.db2.gz BVHLMJBEOQNUJL-KKOKHZNYSA-N 2 2 207.321 1.348 20 30 BDEDLP CC[C@@H]([NH3+])C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001118121235 988021185 /nfs/dbraw/zinc/02/11/85/988021185.db2.gz CLXLRDRQBNORJW-WLYUNCDWSA-N 2 2 243.354 1.937 20 30 BDEDLP N#CCC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246799779 988481205 /nfs/dbraw/zinc/48/12/05/988481205.db2.gz BJCURGBULBNWJU-GFCCVEGCSA-N 2 2 207.321 1.364 20 30 BDEDLP C[C@@H]1CC[C@H]([NH+]2CCC(S)CC2)C[NH2+]1 ZINC001246823911 988509308 /nfs/dbraw/zinc/50/93/08/988509308.db2.gz HLYMGZXLJLZOCG-ZJUUUORDSA-N 2 2 214.378 1.521 20 30 BDEDLP Cc1cc(C#N)ccc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206730763 991178243 /nfs/dbraw/zinc/17/82/43/991178243.db2.gz YRAXXTJNRXICKD-UHFFFAOYSA-N 2 2 229.327 1.647 20 30 BDEDLP C#C[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001308882237 991195381 /nfs/dbraw/zinc/19/53/81/991195381.db2.gz DZKPHNNTZSZIDR-CYBMUJFWSA-N 2 2 238.375 1.081 20 30 BDEDLP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001262562983 992916007 /nfs/dbraw/zinc/91/60/07/992916007.db2.gz QSYQFJSNGZSDDI-QWHCGFSZSA-N 2 2 234.347 1.361 20 30 BDEDLP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001262562983 992916012 /nfs/dbraw/zinc/91/60/12/992916012.db2.gz QSYQFJSNGZSDDI-QWHCGFSZSA-N 2 2 234.347 1.361 20 30 BDEDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(C#N)n1 ZINC001575418850 993041731 /nfs/dbraw/zinc/04/17/31/993041731.db2.gz YVXPGHINNUZOFW-ZDUSSCGKSA-N 2 2 232.331 1.416 20 30 BDEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)C[C@H]1C[NH3+] ZINC001576732927 993412048 /nfs/dbraw/zinc/41/20/48/993412048.db2.gz ZVCSGMVBRLYPJP-WCQYABFASA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C[C@H]1C[NH3+] ZINC001576732927 993412056 /nfs/dbraw/zinc/41/20/56/993412056.db2.gz ZVCSGMVBRLYPJP-WCQYABFASA-N 2 2 244.342 1.370 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000602543490 349588145 /nfs/dbraw/zinc/58/81/45/349588145.db2.gz KRZYZVQJWBQNRK-RYUDHWBXSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000602543490 349588149 /nfs/dbraw/zinc/58/81/49/349588149.db2.gz KRZYZVQJWBQNRK-RYUDHWBXSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1C ZINC000602644578 349656889 /nfs/dbraw/zinc/65/68/89/349656889.db2.gz ZBSDFXCZZCNOLD-GHMZBOCLSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1C ZINC000602644578 349656892 /nfs/dbraw/zinc/65/68/92/349656892.db2.gz ZBSDFXCZZCNOLD-GHMZBOCLSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1C ZINC000602698839 349695400 /nfs/dbraw/zinc/69/54/00/349695400.db2.gz ZPVBQNLSHNAQER-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1C ZINC000602698839 349695403 /nfs/dbraw/zinc/69/54/03/349695403.db2.gz ZPVBQNLSHNAQER-RYUDHWBXSA-N 2 2 221.348 1.753 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nccn1CC ZINC000297357256 342986861 /nfs/dbraw/zinc/98/68/61/342986861.db2.gz PNQRXRHMDHPZOB-CYBMUJFWSA-N 2 2 248.374 1.509 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nccn1CC ZINC000297357256 342986863 /nfs/dbraw/zinc/98/68/63/342986863.db2.gz PNQRXRHMDHPZOB-CYBMUJFWSA-N 2 2 248.374 1.509 20 30 BDEDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043326268 343051264 /nfs/dbraw/zinc/05/12/64/343051264.db2.gz WJBTZHWZDFYFGZ-RISCZKNCSA-N 2 2 229.327 1.961 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576834698 365698830 /nfs/dbraw/zinc/69/88/30/365698830.db2.gz PBAKNLOQPGNNRF-LBPRGKRZSA-N 2 2 235.331 1.412 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576834698 365698835 /nfs/dbraw/zinc/69/88/35/365698835.db2.gz PBAKNLOQPGNNRF-LBPRGKRZSA-N 2 2 235.331 1.412 20 30 BDEDLP C[C@@H](CC#N)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314403808 259345467 /nfs/dbraw/zinc/34/54/67/259345467.db2.gz UZAYNIUCZOBSNX-NSHDSACASA-N 2 2 220.320 1.587 20 30 BDEDLP C[C@@H](CC#N)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314403808 259345468 /nfs/dbraw/zinc/34/54/68/259345468.db2.gz UZAYNIUCZOBSNX-NSHDSACASA-N 2 2 220.320 1.587 20 30 BDEDLP N#CCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266956228 136281879 /nfs/dbraw/zinc/28/18/79/136281879.db2.gz VMJBMRLVUHIDNH-LLVKDONJSA-N 2 2 218.304 1.893 20 30 BDEDLP N#CCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266956228 136281880 /nfs/dbraw/zinc/28/18/80/136281880.db2.gz VMJBMRLVUHIDNH-LLVKDONJSA-N 2 2 218.304 1.893 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739227 343903308 /nfs/dbraw/zinc/90/33/08/343903308.db2.gz RKXUSLVNCZBIRR-YGRLFVJLSA-N 2 2 247.317 1.737 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334739227 343903309 /nfs/dbraw/zinc/90/33/09/343903309.db2.gz RKXUSLVNCZBIRR-YGRLFVJLSA-N 2 2 247.317 1.737 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000335128284 343928930 /nfs/dbraw/zinc/92/89/30/343928930.db2.gz GUGSNZLZLREMNT-ZFWWWQNUSA-N 2 2 241.338 1.887 20 30 BDEDLP C=CC[NH+](C)CC1(C[N@H+](C)CC=C)COC1 ZINC000121455546 344925594 /nfs/dbraw/zinc/92/55/94/344925594.db2.gz OVWRVZGYVWAXGA-UHFFFAOYSA-N 2 2 224.348 1.239 20 30 BDEDLP C=CC[NH+](C)CC1(C[N@@H+](C)CC=C)COC1 ZINC000121455546 344925596 /nfs/dbraw/zinc/92/55/96/344925596.db2.gz OVWRVZGYVWAXGA-UHFFFAOYSA-N 2 2 224.348 1.239 20 30 BDEDLP Cc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c(C#N)c[nH+]1 ZINC000425243688 192085316 /nfs/dbraw/zinc/08/53/16/192085316.db2.gz FQMSYCDSDLARNF-WCQYABFASA-N 2 2 244.342 1.578 20 30 BDEDLP Cc1cc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(C#N)c[nH+]1 ZINC000425243688 192085318 /nfs/dbraw/zinc/08/53/18/192085318.db2.gz FQMSYCDSDLARNF-WCQYABFASA-N 2 2 244.342 1.578 20 30 BDEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000107576616 345560642 /nfs/dbraw/zinc/56/06/42/345560642.db2.gz DDUXSTFOULVUDE-STQMWFEESA-N 2 2 245.301 1.349 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCC#N ZINC000309774141 347161116 /nfs/dbraw/zinc/16/11/16/347161116.db2.gz LFZTYAGUYCCQTM-YPMHNXCESA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCC#N ZINC000309774141 347161118 /nfs/dbraw/zinc/16/11/18/347161118.db2.gz LFZTYAGUYCCQTM-YPMHNXCESA-N 2 2 221.348 1.753 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309976123 347208640 /nfs/dbraw/zinc/20/86/40/347208640.db2.gz SVZRLAYRMPPVCM-FRRDWIJNSA-N 2 2 226.364 1.101 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309976123 347208644 /nfs/dbraw/zinc/20/86/44/347208644.db2.gz SVZRLAYRMPPVCM-FRRDWIJNSA-N 2 2 226.364 1.101 20 30 BDEDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccncc1C#N ZINC000592475906 347791321 /nfs/dbraw/zinc/79/13/21/347791321.db2.gz VJLVUEGPMSJJIC-CYBMUJFWSA-N 2 2 232.331 1.416 20 30 BDEDLP N#CCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000594936084 348141808 /nfs/dbraw/zinc/14/18/08/348141808.db2.gz HOPCKIWDXQBBGP-UHFFFAOYSA-N 2 2 230.315 1.613 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955714 348149117 /nfs/dbraw/zinc/14/91/17/348149117.db2.gz SPSNBFJGSGEZFO-SWLSCSKDSA-N 2 2 243.354 1.640 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955714 348149118 /nfs/dbraw/zinc/14/91/18/348149118.db2.gz SPSNBFJGSGEZFO-SWLSCSKDSA-N 2 2 243.354 1.640 20 30 BDEDLP CC#CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000119055273 348200001 /nfs/dbraw/zinc/20/00/01/348200001.db2.gz YYQNJGAVRKYEEQ-UHFFFAOYSA-N 2 2 245.326 1.236 20 30 BDEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1(C#N)CC1)C2 ZINC000595503733 348264531 /nfs/dbraw/zinc/26/45/31/348264531.db2.gz AVTNRFTYKXOFOQ-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1(C#N)CC1)C2 ZINC000595503733 348264533 /nfs/dbraw/zinc/26/45/33/348264533.db2.gz AVTNRFTYKXOFOQ-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1(C#N)CC1)C2 ZINC000595503733 348264535 /nfs/dbraw/zinc/26/45/35/348264535.db2.gz AVTNRFTYKXOFOQ-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1(C#N)CC1)C2 ZINC000595503733 348264536 /nfs/dbraw/zinc/26/45/36/348264536.db2.gz AVTNRFTYKXOFOQ-CQSZACIVSA-N 2 2 233.359 1.708 20 30 BDEDLP C[C@]1(C#N)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000595843856 348381105 /nfs/dbraw/zinc/38/11/05/348381105.db2.gz OAHMOPPNPXRDSD-GFCCVEGCSA-N 2 2 218.304 1.509 20 30 BDEDLP C[C@]1(C#N)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000595843856 348381107 /nfs/dbraw/zinc/38/11/07/348381107.db2.gz OAHMOPPNPXRDSD-GFCCVEGCSA-N 2 2 218.304 1.509 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000595907692 348397113 /nfs/dbraw/zinc/39/71/13/348397113.db2.gz DJCLPJUFJBUMDJ-UHFFFAOYSA-N 2 2 227.311 1.481 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000595907692 348397116 /nfs/dbraw/zinc/39/71/16/348397116.db2.gz DJCLPJUFJBUMDJ-UHFFFAOYSA-N 2 2 227.311 1.481 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000596655896 348599933 /nfs/dbraw/zinc/59/99/33/348599933.db2.gz ZHWIQVGDBOFDJE-UWVGGRQHSA-N 2 2 235.306 1.956 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251886564 362975561 /nfs/dbraw/zinc/97/55/61/362975561.db2.gz VQMKCLVYUFOFPH-NXEZZACHSA-N 2 2 202.729 1.798 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251886564 362975564 /nfs/dbraw/zinc/97/55/64/362975564.db2.gz VQMKCLVYUFOFPH-NXEZZACHSA-N 2 2 202.729 1.798 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397860556 350979910 /nfs/dbraw/zinc/97/99/10/350979910.db2.gz YAFOJEUTJUBSIU-CYBMUJFWSA-N 2 2 232.331 1.817 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397860556 350979914 /nfs/dbraw/zinc/97/99/14/350979914.db2.gz YAFOJEUTJUBSIU-CYBMUJFWSA-N 2 2 232.331 1.817 20 30 BDEDLP C[C@@H](CCC#N)[N@H+](C)CCCn1cc[nH+]c1 ZINC000276313030 351615892 /nfs/dbraw/zinc/61/58/92/351615892.db2.gz MUMFARIWOXKDMP-LBPRGKRZSA-N 2 2 220.320 1.897 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276313030 351615897 /nfs/dbraw/zinc/61/58/97/351615897.db2.gz MUMFARIWOXKDMP-LBPRGKRZSA-N 2 2 220.320 1.897 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278752993 351780747 /nfs/dbraw/zinc/78/07/47/351780747.db2.gz XEWCZJJDOVEAPM-CHWSQXEVSA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278752993 351780751 /nfs/dbraw/zinc/78/07/51/351780751.db2.gz XEWCZJJDOVEAPM-CHWSQXEVSA-N 2 2 232.331 1.897 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccns2)CC1 ZINC000638524071 352356598 /nfs/dbraw/zinc/35/65/98/352356598.db2.gz KLWRSDPWEHFNKG-UHFFFAOYSA-N 2 2 237.372 1.883 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2[nH]ncc2C)CC1 ZINC000289562323 353632900 /nfs/dbraw/zinc/63/29/00/353632900.db2.gz RDMBHHKNKVZLJA-UHFFFAOYSA-N 2 2 248.374 1.848 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336782202 353711094 /nfs/dbraw/zinc/71/10/94/353711094.db2.gz WXZCWTNAOFBICF-STQMWFEESA-N 2 2 226.364 1.509 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336782202 353711096 /nfs/dbraw/zinc/71/10/96/353711096.db2.gz WXZCWTNAOFBICF-STQMWFEESA-N 2 2 226.364 1.509 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000293747126 353756572 /nfs/dbraw/zinc/75/65/72/353756572.db2.gz IJISHQDJUMHPJV-KBPBESRZSA-N 2 2 249.358 1.969 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000293747126 353756573 /nfs/dbraw/zinc/75/65/73/353756573.db2.gz IJISHQDJUMHPJV-KBPBESRZSA-N 2 2 249.358 1.969 20 30 BDEDLP C=CCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000344500396 354289160 /nfs/dbraw/zinc/28/91/60/354289160.db2.gz OGAFKFQIMNJRND-UHFFFAOYSA-N 2 2 234.347 1.494 20 30 BDEDLP C=CCCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000344615658 354326548 /nfs/dbraw/zinc/32/65/48/354326548.db2.gz ZQYKCLCKFUYTTM-UHFFFAOYSA-N 2 2 226.364 1.341 20 30 BDEDLP C=CCCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000344615658 354326551 /nfs/dbraw/zinc/32/65/51/354326551.db2.gz ZQYKCLCKFUYTTM-UHFFFAOYSA-N 2 2 226.364 1.341 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)c1 ZINC000035274779 356460198 /nfs/dbraw/zinc/46/01/98/356460198.db2.gz BCNIHVJRWPSCCZ-GFCCVEGCSA-N 2 2 240.310 1.933 20 30 BDEDLP C[NH+](C)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000088259294 356646018 /nfs/dbraw/zinc/64/60/18/356646018.db2.gz USLXHSYDNJPSKI-UHFFFAOYSA-N 2 2 221.348 1.706 20 30 BDEDLP C=C(Cl)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000167720407 134153596 /nfs/dbraw/zinc/15/35/96/134153596.db2.gz KOWUWOYXDHGTHS-FGWVZKOKSA-N 2 2 214.740 1.954 20 30 BDEDLP C=C(Cl)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000167720407 134153597 /nfs/dbraw/zinc/15/35/97/134153597.db2.gz KOWUWOYXDHGTHS-FGWVZKOKSA-N 2 2 214.740 1.954 20 30 BDEDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N ZINC000191356967 357765931 /nfs/dbraw/zinc/76/59/31/357765931.db2.gz ZXEYSOBLWXVASE-GFCCVEGCSA-N 2 2 246.358 1.280 20 30 BDEDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N ZINC000191356967 357765933 /nfs/dbraw/zinc/76/59/33/357765933.db2.gz ZXEYSOBLWXVASE-GFCCVEGCSA-N 2 2 246.358 1.280 20 30 BDEDLP CCNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264083208 535423453 /nfs/dbraw/zinc/42/34/53/535423453.db2.gz IYKXETHGZXGTHP-SECBINFHSA-N 2 2 240.376 1.275 20 30 BDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247324772 359212607 /nfs/dbraw/zinc/21/26/07/359212607.db2.gz GEUWTKGFIZKVNA-OLZOCXBDSA-N 2 2 217.316 1.789 20 30 BDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247324772 359212610 /nfs/dbraw/zinc/21/26/10/359212610.db2.gz GEUWTKGFIZKVNA-OLZOCXBDSA-N 2 2 217.316 1.789 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000580440266 359550567 /nfs/dbraw/zinc/55/05/67/359550567.db2.gz RDGZBHBFUXBNIY-KGLIPLIRSA-N 2 2 232.327 1.866 20 30 BDEDLP C[N@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)C#N ZINC000433322824 201181050 /nfs/dbraw/zinc/18/10/50/201181050.db2.gz SDLVEGQGMLZYRX-GFCCVEGCSA-N 2 2 223.364 1.952 20 30 BDEDLP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)C#N ZINC000433322824 201181054 /nfs/dbraw/zinc/18/10/54/201181054.db2.gz SDLVEGQGMLZYRX-GFCCVEGCSA-N 2 2 223.364 1.952 20 30 BDEDLP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)(C)C#N ZINC000433322824 201181058 /nfs/dbraw/zinc/18/10/58/201181058.db2.gz SDLVEGQGMLZYRX-GFCCVEGCSA-N 2 2 223.364 1.952 20 30 BDEDLP C[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)(C)C#N ZINC000433322824 201181060 /nfs/dbraw/zinc/18/10/60/201181060.db2.gz SDLVEGQGMLZYRX-GFCCVEGCSA-N 2 2 223.364 1.952 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000580709623 367148218 /nfs/dbraw/zinc/14/82/18/367148218.db2.gz IFTUAILHQLXQFH-CYBMUJFWSA-N 2 2 246.358 1.670 20 30 BDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)cs3)C[C@@H]2C1 ZINC000194536571 367303778 /nfs/dbraw/zinc/30/37/78/367303778.db2.gz YBFYMEYZAFYXAP-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C#N)cs3)C[C@@H]2C1 ZINC000194536571 367303781 /nfs/dbraw/zinc/30/37/81/367303781.db2.gz YBFYMEYZAFYXAP-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C#N)cs3)C[C@@H]2C1 ZINC000194536571 367303783 /nfs/dbraw/zinc/30/37/83/367303783.db2.gz YBFYMEYZAFYXAP-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(C#N)cs3)C[C@@H]2C1 ZINC000194536571 367303785 /nfs/dbraw/zinc/30/37/85/367303785.db2.gz YBFYMEYZAFYXAP-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459659861 203330991 /nfs/dbraw/zinc/33/09/91/203330991.db2.gz ABVHQVIATZPPDF-YPMHNXCESA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459659861 203330995 /nfs/dbraw/zinc/33/09/95/203330995.db2.gz ABVHQVIATZPPDF-YPMHNXCESA-N 2 2 235.375 1.999 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)o1 ZINC000600769516 369563207 /nfs/dbraw/zinc/56/32/07/369563207.db2.gz NTYWKPKIRKPAHR-ZDUSSCGKSA-N 2 2 233.315 1.758 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000600768126 369563296 /nfs/dbraw/zinc/56/32/96/369563296.db2.gz CMXMVROBQUYYSR-VHSXEESVSA-N 2 2 219.288 1.463 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)o1 ZINC000600768126 369563302 /nfs/dbraw/zinc/56/33/02/369563302.db2.gz CMXMVROBQUYYSR-VHSXEESVSA-N 2 2 219.288 1.463 20 30 BDEDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600767594 369563429 /nfs/dbraw/zinc/56/34/29/369563429.db2.gz BNQNDGCQZWPJOA-JTQLQIEISA-N 2 2 219.288 1.193 20 30 BDEDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600767594 369563434 /nfs/dbraw/zinc/56/34/34/369563434.db2.gz BNQNDGCQZWPJOA-JTQLQIEISA-N 2 2 219.288 1.193 20 30 BDEDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600767544 369564939 /nfs/dbraw/zinc/56/49/39/369564939.db2.gz BGQXRTLNKQDEOO-JTQLQIEISA-N 2 2 221.304 1.614 20 30 BDEDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000603430097 369963267 /nfs/dbraw/zinc/96/32/67/369963267.db2.gz SCQPUDBFIHTZGL-CHWSQXEVSA-N 2 2 229.327 1.774 20 30 BDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000335058504 384008767 /nfs/dbraw/zinc/00/87/67/384008767.db2.gz JEOISTGFPRGPBF-TZMCWYRMSA-N 2 2 227.311 1.497 20 30 BDEDLP C=C(CC)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000313497313 384428953 /nfs/dbraw/zinc/42/89/53/384428953.db2.gz KAELQURLDGVGRQ-NEPJUHHUSA-N 2 2 212.337 1.309 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000361466981 384625624 /nfs/dbraw/zinc/62/56/24/384625624.db2.gz SILHDSCPGNSIPS-UPJWGTAASA-N 2 2 233.359 1.895 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000361466981 384625631 /nfs/dbraw/zinc/62/56/31/384625631.db2.gz SILHDSCPGNSIPS-UPJWGTAASA-N 2 2 233.359 1.895 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248491086 384865833 /nfs/dbraw/zinc/86/58/33/384865833.db2.gz INSCLHOFTIEKNI-QJPTWQEYSA-N 2 2 224.348 1.138 20 30 BDEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248491086 384865838 /nfs/dbraw/zinc/86/58/38/384865838.db2.gz INSCLHOFTIEKNI-QJPTWQEYSA-N 2 2 224.348 1.138 20 30 BDEDLP CC#CC[N@H+](C)[C@H]1CCC[NH+](CC#CC)CC1 ZINC000156988022 385036513 /nfs/dbraw/zinc/03/65/13/385036513.db2.gz HIOODLUDRPSQBW-HNNXBMFYSA-N 2 2 232.371 1.819 20 30 BDEDLP CC#CC[N@@H+](C)[C@H]1CCC[NH+](CC#CC)CC1 ZINC000156988022 385036519 /nfs/dbraw/zinc/03/65/19/385036519.db2.gz HIOODLUDRPSQBW-HNNXBMFYSA-N 2 2 232.371 1.819 20 30 BDEDLP CC#CC[NH+](C)[C@H]1CCC[N@H+](CC#CC)CC1 ZINC000156988022 385036523 /nfs/dbraw/zinc/03/65/23/385036523.db2.gz HIOODLUDRPSQBW-HNNXBMFYSA-N 2 2 232.371 1.819 20 30 BDEDLP CC#CC[NH+](C)[C@H]1CCC[N@@H+](CC#CC)CC1 ZINC000156988022 385036525 /nfs/dbraw/zinc/03/65/25/385036525.db2.gz HIOODLUDRPSQBW-HNNXBMFYSA-N 2 2 232.371 1.819 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000449127149 385126863 /nfs/dbraw/zinc/12/68/63/385126863.db2.gz WKOZJDZGMIPVEN-YRGRVCCFSA-N 2 2 238.375 1.792 20 30 BDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)C ZINC000491671198 385434547 /nfs/dbraw/zinc/43/45/47/385434547.db2.gz FHLPDENFVCHEQB-AWEZNQCLSA-N 2 2 238.375 1.345 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc(C#N)cs1 ZINC000309422980 385577397 /nfs/dbraw/zinc/57/73/97/385577397.db2.gz AIUSCDFSFHZVTM-SECBINFHSA-N 2 2 238.360 1.445 20 30 BDEDLP C#CC[N@@H+](CCC[NH+](CC)CC)C1CC1 ZINC000491708642 385605442 /nfs/dbraw/zinc/60/54/42/385605442.db2.gz NOXVTCYPZYDFRZ-UHFFFAOYSA-N 2 2 208.349 1.816 20 30 BDEDLP C#CC[N@H+](CCC[NH+](CC)CC)C1CC1 ZINC000491708642 385605445 /nfs/dbraw/zinc/60/54/45/385605445.db2.gz NOXVTCYPZYDFRZ-UHFFFAOYSA-N 2 2 208.349 1.816 20 30 BDEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]C)cc1 ZINC000414828425 386697694 /nfs/dbraw/zinc/69/76/94/386697694.db2.gz ZPHOABGBAVFHJH-UHFFFAOYSA-N 2 2 220.316 1.560 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645188063 386850934 /nfs/dbraw/zinc/85/09/34/386850934.db2.gz HKWHQWBSRBOJMN-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645188063 386850939 /nfs/dbraw/zinc/85/09/39/386850939.db2.gz HKWHQWBSRBOJMN-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645188063 386850954 /nfs/dbraw/zinc/85/09/54/386850954.db2.gz HKWHQWBSRBOJMN-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645188063 386850958 /nfs/dbraw/zinc/85/09/58/386850958.db2.gz HKWHQWBSRBOJMN-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000192608817 387007598 /nfs/dbraw/zinc/00/75/98/387007598.db2.gz FJILNAPDQUHVRE-QWHCGFSZSA-N 2 2 221.348 1.754 20 30 BDEDLP Cc1cc(NCC[N@@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399607824 387039205 /nfs/dbraw/zinc/03/92/05/387039205.db2.gz VLGBFHXTJILUIA-UHFFFAOYSA-N 2 2 232.331 1.436 20 30 BDEDLP Cc1cc(NCC[N@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000399607824 387039210 /nfs/dbraw/zinc/03/92/10/387039210.db2.gz VLGBFHXTJILUIA-UHFFFAOYSA-N 2 2 232.331 1.436 20 30 BDEDLP N#CCC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000564077243 387819980 /nfs/dbraw/zinc/81/99/80/387819980.db2.gz KUWXWJHXZQBAEA-UHFFFAOYSA-N 2 2 240.310 1.935 20 30 BDEDLP C=C(CC)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423163659 387946853 /nfs/dbraw/zinc/94/68/53/387946853.db2.gz RHADBQQFCRJVAR-CHWSQXEVSA-N 2 2 224.348 1.309 20 30 BDEDLP C=CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246241187 388022108 /nfs/dbraw/zinc/02/21/08/388022108.db2.gz HWUNJULYIRIXBL-VXGBXAGGSA-N 2 2 205.305 1.952 20 30 BDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246241187 388022112 /nfs/dbraw/zinc/02/21/12/388022112.db2.gz HWUNJULYIRIXBL-VXGBXAGGSA-N 2 2 205.305 1.952 20 30 BDEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000449558689 388232208 /nfs/dbraw/zinc/23/22/08/388232208.db2.gz ZHTDBXUWIMDIKF-SDDRHHMPSA-N 2 2 209.337 1.608 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cncnc1C ZINC000491760740 388318794 /nfs/dbraw/zinc/31/87/94/388318794.db2.gz SKVAPBIANSBVGX-LBPRGKRZSA-N 2 2 246.358 1.391 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287099 388543126 /nfs/dbraw/zinc/54/31/26/388543126.db2.gz BYTBOFXRIXTACY-CHWSQXEVSA-N 2 2 235.331 1.457 20 30 BDEDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000037749428 388616739 /nfs/dbraw/zinc/61/67/39/388616739.db2.gz GNMUQPWXKRZZQG-BXUZGUMPSA-N 2 2 247.342 1.131 20 30 BDEDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414986778 388667634 /nfs/dbraw/zinc/66/76/34/388667634.db2.gz JOOKTISCALNXTK-LBPRGKRZSA-N 2 2 233.315 1.394 20 30 BDEDLP N#Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423096007 388688393 /nfs/dbraw/zinc/68/83/93/388688393.db2.gz GVJNPKBMCWRBAJ-ZDUSSCGKSA-N 2 2 215.300 1.052 20 30 BDEDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000335297680 388829919 /nfs/dbraw/zinc/82/99/19/388829919.db2.gz JZMZNBCDALYKTK-GWCFXTLKSA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000335297680 388829923 /nfs/dbraw/zinc/82/99/23/388829923.db2.gz JZMZNBCDALYKTK-GWCFXTLKSA-N 2 2 215.300 1.480 20 30 BDEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000368595979 533296083 /nfs/dbraw/zinc/29/60/83/533296083.db2.gz YTCLFYJYVOVOLX-ZDUSSCGKSA-N 2 2 243.354 1.657 20 30 BDEDLP CC#CCN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371204194 134227638 /nfs/dbraw/zinc/22/76/38/134227638.db2.gz GDYQWKLGJQTGDV-OAHLLOKOSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CCN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371204194 134227639 /nfs/dbraw/zinc/22/76/39/134227639.db2.gz GDYQWKLGJQTGDV-OAHLLOKOSA-N 2 2 249.402 1.110 20 30 BDEDLP N#CCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199133 134236442 /nfs/dbraw/zinc/23/64/42/134236442.db2.gz XGFMZHSNNIJIMN-UHFFFAOYSA-N 2 2 218.304 1.893 20 30 BDEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[NH+](C)C)N1 ZINC000262672484 135120954 /nfs/dbraw/zinc/12/09/54/135120954.db2.gz RUEFIILSSFYBNQ-AAEUAGOBSA-N 2 2 246.358 1.227 20 30 BDEDLP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC1(C#N)CC1 ZINC000258895135 135135575 /nfs/dbraw/zinc/13/55/75/135135575.db2.gz KMSYVAQKKUWBSZ-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(C#N)CC1 ZINC000258895135 135135577 /nfs/dbraw/zinc/13/55/77/135135577.db2.gz KMSYVAQKKUWBSZ-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(C#N)CC1 ZINC000258895135 135135578 /nfs/dbraw/zinc/13/55/78/135135578.db2.gz KMSYVAQKKUWBSZ-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(C#N)CC1 ZINC000258895135 135135580 /nfs/dbraw/zinc/13/55/80/135135580.db2.gz KMSYVAQKKUWBSZ-LBPRGKRZSA-N 2 2 221.348 1.564 20 30 BDEDLP CCCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264144737 135135879 /nfs/dbraw/zinc/13/58/79/135135879.db2.gz XONHHPZLDSPLPR-UHFFFAOYSA-N 2 2 245.330 1.420 20 30 BDEDLP N#CCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266806143 135149164 /nfs/dbraw/zinc/14/91/64/135149164.db2.gz ZYOWGSUVGIDYAU-UHFFFAOYSA-N 2 2 218.304 1.893 20 30 BDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000261533009 135164384 /nfs/dbraw/zinc/16/43/84/135164384.db2.gz FTSRBXXAHFSYEG-GXFFZTMASA-N 2 2 215.300 1.337 20 30 BDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000261533009 135164386 /nfs/dbraw/zinc/16/43/86/135164386.db2.gz FTSRBXXAHFSYEG-GXFFZTMASA-N 2 2 215.300 1.337 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cscn1 ZINC000294964464 135378686 /nfs/dbraw/zinc/37/86/86/135378686.db2.gz JLRDEVNDPQFDTB-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cscn1 ZINC000294964464 135378688 /nfs/dbraw/zinc/37/86/88/135378688.db2.gz JLRDEVNDPQFDTB-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP C=CCCCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000655489305 410797758 /nfs/dbraw/zinc/79/77/58/410797758.db2.gz OUXJXOAVGBXCCW-GFCCVEGCSA-N 2 2 241.379 1.128 20 30 BDEDLP C=C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655723801 411296994 /nfs/dbraw/zinc/29/69/94/411296994.db2.gz SXKLJUPZKSZREE-AAEUAGOBSA-N 2 2 224.348 1.404 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CO[C@H](CC)C2)CC1 ZINC000657353291 411474032 /nfs/dbraw/zinc/47/40/32/411474032.db2.gz PSUHCLVQJIFMID-ZIAGYGMSSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOc1cccc(C[N@H+](C)CC[NH3+])c1 ZINC000415117027 411492744 /nfs/dbraw/zinc/49/27/44/411492744.db2.gz ZEDNUVCIIYKHAX-UHFFFAOYSA-N 2 2 220.316 1.642 20 30 BDEDLP C=CCOc1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC000415117027 411492747 /nfs/dbraw/zinc/49/27/47/411492747.db2.gz ZEDNUVCIIYKHAX-UHFFFAOYSA-N 2 2 220.316 1.642 20 30 BDEDLP C=CCC1([NH2+]Cc2c[nH+]c(C)n2C)CCOCC1 ZINC000657634384 411567747 /nfs/dbraw/zinc/56/77/47/411567747.db2.gz JKSCJOXQZHQUHG-UHFFFAOYSA-N 2 2 249.358 1.943 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657658042 411571879 /nfs/dbraw/zinc/57/18/79/411571879.db2.gz KEKZXFFOQGRRRC-CHWSQXEVSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657658042 411571881 /nfs/dbraw/zinc/57/18/81/411571881.db2.gz KEKZXFFOQGRRRC-CHWSQXEVSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000657658163 411571967 /nfs/dbraw/zinc/57/19/67/411571967.db2.gz NYRLRGIXPBBSBQ-NWDGAFQWSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000657658163 411571968 /nfs/dbraw/zinc/57/19/68/411571968.db2.gz NYRLRGIXPBBSBQ-NWDGAFQWSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473152 411590315 /nfs/dbraw/zinc/59/03/15/411590315.db2.gz PPDRRUCCSSBWAW-CQSZACIVSA-N 2 2 238.375 1.749 20 30 BDEDLP C=CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473152 411590317 /nfs/dbraw/zinc/59/03/17/411590317.db2.gz PPDRRUCCSSBWAW-CQSZACIVSA-N 2 2 238.375 1.749 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000165225875 173034125 /nfs/dbraw/zinc/03/41/25/173034125.db2.gz OHJBTCCGEKNUQI-SNVBAGLBSA-N 2 2 235.356 1.804 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000165225875 173034128 /nfs/dbraw/zinc/03/41/28/173034128.db2.gz OHJBTCCGEKNUQI-SNVBAGLBSA-N 2 2 235.356 1.804 20 30 BDEDLP C=CC(C)(C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000395409572 262787485 /nfs/dbraw/zinc/78/74/85/262787485.db2.gz XCEQYEVGVSGQEL-VXGBXAGGSA-N 2 2 226.364 1.555 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000037157277 487836512 /nfs/dbraw/zinc/83/65/12/487836512.db2.gz BRZFDUYKVBNNDE-GFCCVEGCSA-N 2 2 240.310 1.933 20 30 BDEDLP Fc1ccc(C#CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000676557685 487873176 /nfs/dbraw/zinc/87/31/76/487873176.db2.gz ZWYXBBDLBORAOK-OKILXGFUSA-N 2 2 244.313 1.328 20 30 BDEDLP Fc1ccc(C#CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000676557685 487873181 /nfs/dbraw/zinc/87/31/81/487873181.db2.gz ZWYXBBDLBORAOK-OKILXGFUSA-N 2 2 244.313 1.328 20 30 BDEDLP C[NH+](C)CCOc1cnccc1C[NH2+]CCC#N ZINC000570676104 323066720 /nfs/dbraw/zinc/06/67/20/323066720.db2.gz ALRCIZVJWANOKZ-UHFFFAOYSA-N 2 2 248.330 1.025 20 30 BDEDLP CC(C)OCC[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000567685185 326244778 /nfs/dbraw/zinc/24/47/78/326244778.db2.gz WZQNPEKKSNBWFZ-UHFFFAOYSA-N 2 2 239.363 1.379 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568249326 326334814 /nfs/dbraw/zinc/33/48/14/326334814.db2.gz NNYMWAKFWJKPSV-OCCSQVGLSA-N 3 2 237.391 1.496 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569230393 326396273 /nfs/dbraw/zinc/39/62/73/326396273.db2.gz WITGBTMGKGDSCY-OLZOCXBDSA-N 2 2 246.358 1.504 20 30 BDEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569230393 326396274 /nfs/dbraw/zinc/39/62/74/326396274.db2.gz WITGBTMGKGDSCY-OLZOCXBDSA-N 2 2 246.358 1.504 20 30 BDEDLP COCC#CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000677480576 488049602 /nfs/dbraw/zinc/04/96/02/488049602.db2.gz ZXUQNOWUVQGIGN-UHFFFAOYSA-N 2 2 233.315 1.170 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000677817737 490664348 /nfs/dbraw/zinc/66/43/48/490664348.db2.gz QJMPTOXABUZYFA-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000677817737 490664351 /nfs/dbraw/zinc/66/43/51/490664351.db2.gz QJMPTOXABUZYFA-AWEZNQCLSA-N 2 2 236.359 1.054 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(CC)nc1C ZINC000894638845 583498423 /nfs/dbraw/zinc/49/84/23/583498423.db2.gz HLJFUEOJNIYOTG-UHFFFAOYSA-N 2 2 248.374 1.256 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(CC)nc1C ZINC000894638845 583498424 /nfs/dbraw/zinc/49/84/24/583498424.db2.gz HLJFUEOJNIYOTG-UHFFFAOYSA-N 2 2 248.374 1.256 20 30 BDEDLP C[N@@H+](Cc1csc(C#N)c1)CC1C[NH+](C)C1 ZINC000895362912 583659830 /nfs/dbraw/zinc/65/98/30/583659830.db2.gz OXBUSFCPKAXSRS-UHFFFAOYSA-N 2 2 235.356 1.613 20 30 BDEDLP C[N@H+](Cc1csc(C#N)c1)CC1C[NH+](C)C1 ZINC000895362912 583659832 /nfs/dbraw/zinc/65/98/32/583659832.db2.gz OXBUSFCPKAXSRS-UHFFFAOYSA-N 2 2 235.356 1.613 20 30 BDEDLP C=CCCC[C@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000900010342 584265592 /nfs/dbraw/zinc/26/55/92/584265592.db2.gz QDCNCRMMMKFDBD-VHSXEESVSA-N 2 2 236.319 1.850 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903474896 584776599 /nfs/dbraw/zinc/77/65/99/584776599.db2.gz SSAOOCBQQBGNFK-VIFPVBQESA-N 2 2 237.734 1.991 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903474896 584776600 /nfs/dbraw/zinc/77/66/00/584776600.db2.gz SSAOOCBQQBGNFK-VIFPVBQESA-N 2 2 237.734 1.991 20 30 BDEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960322 584828042 /nfs/dbraw/zinc/82/80/42/584828042.db2.gz DTRSDXHISRJQSB-IUODEOHRSA-N 2 2 246.354 1.949 20 30 BDEDLP C#CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000760362264 585391439 /nfs/dbraw/zinc/39/14/39/585391439.db2.gz KQHVFMKUUJCOGP-UHFFFAOYSA-N 2 2 245.326 1.408 20 30 BDEDLP C#C[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000769963537 585568052 /nfs/dbraw/zinc/56/80/52/585568052.db2.gz WAPBYGYGIAQKRD-LBPRGKRZSA-N 2 2 240.310 1.721 20 30 BDEDLP C#C[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000769963537 585568053 /nfs/dbraw/zinc/56/80/53/585568053.db2.gz WAPBYGYGIAQKRD-LBPRGKRZSA-N 2 2 240.310 1.721 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000783294668 585833376 /nfs/dbraw/zinc/83/33/76/585833376.db2.gz RYPZESAEWKWCKB-WCQYABFASA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000783294668 585833377 /nfs/dbraw/zinc/83/33/77/585833377.db2.gz RYPZESAEWKWCKB-WCQYABFASA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000801935738 586279628 /nfs/dbraw/zinc/27/96/28/586279628.db2.gz KRUWLVFGHUAIGL-LBPRGKRZSA-N 2 2 236.319 1.134 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000801935738 586279629 /nfs/dbraw/zinc/27/96/29/586279629.db2.gz KRUWLVFGHUAIGL-LBPRGKRZSA-N 2 2 236.319 1.134 20 30 BDEDLP Cc1cc(NCC[N@H+]2CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000819919074 587001918 /nfs/dbraw/zinc/00/19/18/587001918.db2.gz HZZCPMKGYCCYII-LBPRGKRZSA-N 2 2 244.342 1.580 20 30 BDEDLP Cc1cc(NCC[N@@H+]2CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000819919074 587001921 /nfs/dbraw/zinc/00/19/21/587001921.db2.gz HZZCPMKGYCCYII-LBPRGKRZSA-N 2 2 244.342 1.580 20 30 BDEDLP C=C(Cl)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877151 588294904 /nfs/dbraw/zinc/29/49/04/588294904.db2.gz DSJKQMRKTBHGAT-UHFFFAOYSA-N 2 2 226.711 1.284 20 30 BDEDLP C[N@@H+]1CCCC(N=NCCCn2cc[nH+]c2)CC1 ZINC000848418160 588382170 /nfs/dbraw/zinc/38/21/70/588382170.db2.gz JGUIZRMKGLSSMJ-UHFFFAOYSA-N 2 2 249.362 1.335 20 30 BDEDLP C[N@H+]1CCCC(N=NCCCn2cc[nH+]c2)CC1 ZINC000848418160 588382172 /nfs/dbraw/zinc/38/21/72/588382172.db2.gz JGUIZRMKGLSSMJ-UHFFFAOYSA-N 2 2 249.362 1.335 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000851845734 588634884 /nfs/dbraw/zinc/63/48/84/588634884.db2.gz MTDXYCTYRLBEHL-GFCCVEGCSA-N 2 2 233.315 1.239 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000851845734 588634885 /nfs/dbraw/zinc/63/48/85/588634885.db2.gz MTDXYCTYRLBEHL-GFCCVEGCSA-N 2 2 233.315 1.239 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000863641822 589306392 /nfs/dbraw/zinc/30/63/92/589306392.db2.gz LAEBQQRTGKKBAA-CQSZACIVSA-N 2 2 245.326 1.727 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000863641822 589306393 /nfs/dbraw/zinc/30/63/93/589306393.db2.gz LAEBQQRTGKKBAA-CQSZACIVSA-N 2 2 245.326 1.727 20 30 BDEDLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866214836 589481096 /nfs/dbraw/zinc/48/10/96/589481096.db2.gz RVYQRLYGOVDXFE-LLVKDONJSA-N 2 2 247.342 1.866 20 30 BDEDLP CCCCCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000876988514 590265683 /nfs/dbraw/zinc/26/56/83/590265683.db2.gz FAPUHQPAHLUUKA-LBPRGKRZSA-N 2 2 243.395 1.352 20 30 BDEDLP CC#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880137071 590940155 /nfs/dbraw/zinc/94/01/55/590940155.db2.gz XNSBICGZNXPBRD-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880137071 590940157 /nfs/dbraw/zinc/94/01/57/590940157.db2.gz XNSBICGZNXPBRD-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880137071 590940158 /nfs/dbraw/zinc/94/01/58/590940158.db2.gz XNSBICGZNXPBRD-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP CC#CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880137071 590940160 /nfs/dbraw/zinc/94/01/60/590940160.db2.gz XNSBICGZNXPBRD-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2[nH]nc(C)c2C)CC1 ZINC000885973686 592119303 /nfs/dbraw/zinc/11/93/03/592119303.db2.gz YGOOPLCECBGVIC-UHFFFAOYSA-N 2 2 248.374 1.767 20 30 BDEDLP Cc1ccc([C@@H](CNC(=[NH2+])N(C)C)[NH+](C)C)cc1 ZINC000170908821 633176360 /nfs/dbraw/zinc/17/63/60/633176360.db2.gz OVRFQAAMJINAPF-CYBMUJFWSA-N 2 2 248.374 1.474 20 30 BDEDLP CNC(NCc1ccc(-n2cc[nH+]c2)cc1)=[NH+]C ZINC000303259122 636306102 /nfs/dbraw/zinc/30/61/02/636306102.db2.gz LRWKGRSMGMIWGE-UHFFFAOYSA-N 2 2 243.314 1.167 20 30 BDEDLP C=C(CC)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517568 640246006 /nfs/dbraw/zinc/24/60/06/640246006.db2.gz BZHXSJVLZQZTFM-UHFFFAOYSA-N 2 2 217.316 1.988 20 30 BDEDLP C=C(CC)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517568 640246011 /nfs/dbraw/zinc/24/60/11/640246011.db2.gz BZHXSJVLZQZTFM-UHFFFAOYSA-N 2 2 217.316 1.988 20 30 BDEDLP N#C[C@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518099 640246416 /nfs/dbraw/zinc/24/64/16/640246416.db2.gz HFVBAEULTMLKFR-WDEREUQCSA-N 2 2 242.326 1.714 20 30 BDEDLP N#C[C@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518099 640246417 /nfs/dbraw/zinc/24/64/17/640246417.db2.gz HFVBAEULTMLKFR-WDEREUQCSA-N 2 2 242.326 1.714 20 30 BDEDLP C=CCOCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520271 640249711 /nfs/dbraw/zinc/24/97/11/640249711.db2.gz ZIEGJCVVRMQOCZ-UHFFFAOYSA-N 2 2 233.315 1.225 20 30 BDEDLP C=CCOCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520271 640249716 /nfs/dbraw/zinc/24/97/16/640249716.db2.gz ZIEGJCVVRMQOCZ-UHFFFAOYSA-N 2 2 233.315 1.225 20 30 BDEDLP CCC#C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721247 640338558 /nfs/dbraw/zinc/33/85/58/640338558.db2.gz LQKHDLSEKYEWQN-MJBXVCDLSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721247 640338561 /nfs/dbraw/zinc/33/85/61/640338561.db2.gz LQKHDLSEKYEWQN-MJBXVCDLSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721247 640338564 /nfs/dbraw/zinc/33/85/64/640338564.db2.gz LQKHDLSEKYEWQN-MJBXVCDLSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721247 640338565 /nfs/dbraw/zinc/33/85/65/640338565.db2.gz LQKHDLSEKYEWQN-MJBXVCDLSA-N 2 2 220.360 1.957 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000923332899 644354731 /nfs/dbraw/zinc/35/47/31/644354731.db2.gz XIHFWANSXJGWLV-OAHLLOKOSA-N 2 2 248.370 1.774 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000923332899 644354735 /nfs/dbraw/zinc/35/47/35/644354735.db2.gz XIHFWANSXJGWLV-OAHLLOKOSA-N 2 2 248.370 1.774 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530457 644488065 /nfs/dbraw/zinc/48/80/65/644488065.db2.gz IXWRDGZQYTYKTD-ZIAGYGMSSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530457 644488071 /nfs/dbraw/zinc/48/80/71/644488071.db2.gz IXWRDGZQYTYKTD-ZIAGYGMSSA-N 2 2 238.375 1.532 20 30 BDEDLP C[C@H]1CCCN(C(=[NH2+])NCCCn2cc[nH+]c2)C1 ZINC000303707342 644838324 /nfs/dbraw/zinc/83/83/24/644838324.db2.gz MELAUKXPEJPXQA-LBPRGKRZSA-N 2 2 249.362 1.320 20 30 BDEDLP C#Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000809425931 644888608 /nfs/dbraw/zinc/88/86/08/644888608.db2.gz ZWGUOCDCUXQKFP-HNNXBMFYSA-N 2 2 246.354 1.070 20 30 BDEDLP CCCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925722303 646447612 /nfs/dbraw/zinc/44/76/12/646447612.db2.gz VECZRPGFUKIUQZ-LBPRGKRZSA-N 2 2 214.353 1.535 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000925783372 646479149 /nfs/dbraw/zinc/47/91/49/646479149.db2.gz JYIBPHWHEWAJFS-NOOOWODRSA-N 2 2 207.321 1.266 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000925783374 646479798 /nfs/dbraw/zinc/47/97/98/646479798.db2.gz JYIBPHWHEWAJFS-WISYIIOYSA-N 2 2 207.321 1.266 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1[nH+]cccc1OC ZINC000383123844 710977270 /nfs/dbraw/zinc/97/72/70/710977270.db2.gz HJSHMGWRXBMICS-UHFFFAOYSA-N 2 2 233.315 1.457 20 30 BDEDLP C#CC[N@H+](C)CCCNc1[nH+]cccc1OC ZINC000383123844 710977274 /nfs/dbraw/zinc/97/72/74/710977274.db2.gz HJSHMGWRXBMICS-UHFFFAOYSA-N 2 2 233.315 1.457 20 30 BDEDLP CNC(NC[C@H]1CC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000715612568 712527640 /nfs/dbraw/zinc/52/76/40/712527640.db2.gz VPAQGDHUTSTEHG-CYBMUJFWSA-N 2 2 246.358 1.056 20 30 BDEDLP CNC(NC[C@H]1CC[N@H+]1Cc1ccccc1)=[NH+]C ZINC000715612568 712527642 /nfs/dbraw/zinc/52/76/42/712527642.db2.gz VPAQGDHUTSTEHG-CYBMUJFWSA-N 2 2 246.358 1.056 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCC#N ZINC000718919213 712787939 /nfs/dbraw/zinc/78/79/39/712787939.db2.gz JSPIHQOGPFORNJ-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCC#N ZINC000718919213 712787942 /nfs/dbraw/zinc/78/79/42/712787942.db2.gz JSPIHQOGPFORNJ-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCC#N ZINC000718919213 712787944 /nfs/dbraw/zinc/78/79/44/712787944.db2.gz JSPIHQOGPFORNJ-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCC#N ZINC000718919213 712787946 /nfs/dbraw/zinc/78/79/46/712787946.db2.gz JSPIHQOGPFORNJ-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001252617898 968877538 /nfs/dbraw/zinc/87/75/38/968877538.db2.gz AAVPBSBJFFBJQP-KBPBESRZSA-N 2 2 240.391 1.633 20 30 BDEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001252617898 968877545 /nfs/dbraw/zinc/87/75/45/968877545.db2.gz AAVPBSBJFFBJQP-KBPBESRZSA-N 2 2 240.391 1.633 20 30 BDEDLP C=C1C[C@@H]2CC([NH2+][C@@H]3COC[C@H]3[NH3+])C[C@H](C1)C2 ZINC001257888692 971521290 /nfs/dbraw/zinc/52/12/90/971521290.db2.gz YEFFPBYDEXEQCQ-QZQCMHJZSA-N 2 2 236.359 1.437 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204674806 961399676 /nfs/dbraw/zinc/39/96/76/961399676.db2.gz FLWRVKJDULEADG-UHFFFAOYSA-N 2 2 231.299 1.059 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204674806 961399698 /nfs/dbraw/zinc/39/96/98/961399698.db2.gz FLWRVKJDULEADG-UHFFFAOYSA-N 2 2 231.299 1.059 20 30 BDEDLP CCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001204956345 962242672 /nfs/dbraw/zinc/24/26/72/962242672.db2.gz NIBWNRQPUXQDRI-OLZOCXBDSA-N 2 2 228.380 1.741 20 30 BDEDLP CCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001204956345 962242683 /nfs/dbraw/zinc/24/26/83/962242683.db2.gz NIBWNRQPUXQDRI-OLZOCXBDSA-N 2 2 228.380 1.741 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000924984020 962810435 /nfs/dbraw/zinc/81/04/35/962810435.db2.gz LUESODFFUYTCES-OUCADQQQSA-N 2 2 238.375 1.650 20 30 BDEDLP Cc1c[nH+]c(NCC[C@H]2CCC[NH2+]2)c(/C=N/O)c1 ZINC001158626893 963895535 /nfs/dbraw/zinc/89/55/35/963895535.db2.gz IGZKEZMLCWJSHS-UDPFGDFPSA-N 2 2 248.330 1.752 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204675174 967130418 /nfs/dbraw/zinc/13/04/18/967130418.db2.gz JLAYZUJBMZHNTB-UHFFFAOYSA-N 2 2 214.312 1.463 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204675174 967130427 /nfs/dbraw/zinc/13/04/27/967130427.db2.gz JLAYZUJBMZHNTB-UHFFFAOYSA-N 2 2 214.312 1.463 20 30 BDEDLP C=CC[NH2+]CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727833 967138858 /nfs/dbraw/zinc/13/88/58/967138858.db2.gz RFPHNFJKMHVKAR-UHFFFAOYSA-N 3 2 237.391 1.228 20 30 BDEDLP C=CC[NH2+]CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727833 967138865 /nfs/dbraw/zinc/13/88/65/967138865.db2.gz RFPHNFJKMHVKAR-UHFFFAOYSA-N 3 2 237.391 1.228 20 30 BDEDLP C=CCCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205346941 967560645 /nfs/dbraw/zinc/56/06/45/967560645.db2.gz JAMDAINVWQJIHD-VXGBXAGGSA-N 2 2 212.337 1.127 20 30 BDEDLP C=CCCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205346941 967560665 /nfs/dbraw/zinc/56/06/65/967560665.db2.gz JAMDAINVWQJIHD-VXGBXAGGSA-N 2 2 212.337 1.127 20 30 BDEDLP C=C[C@@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001252560070 968806705 /nfs/dbraw/zinc/80/67/05/968806705.db2.gz MZBDMYXJJKLGQU-CYBMUJFWSA-N 2 2 235.331 1.457 20 30 BDEDLP C=CCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169140401 969452839 /nfs/dbraw/zinc/45/28/39/969452839.db2.gz JTAYISHOCSELCI-QDMKHBRRSA-N 2 2 249.402 1.415 20 30 BDEDLP C=CCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140401 969452855 /nfs/dbraw/zinc/45/28/55/969452855.db2.gz JTAYISHOCSELCI-QDMKHBRRSA-N 2 2 249.402 1.415 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000401559356 970703564 /nfs/dbraw/zinc/70/35/64/970703564.db2.gz WDGICSDMFIWCQV-ZDUSSCGKSA-N 2 2 246.358 1.332 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000401559356 970703578 /nfs/dbraw/zinc/70/35/78/970703578.db2.gz WDGICSDMFIWCQV-ZDUSSCGKSA-N 2 2 246.358 1.332 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001171180631 972819724 /nfs/dbraw/zinc/81/97/24/972819724.db2.gz BPKHQDGBHPFPSZ-RISCZKNCSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001171180631 972819725 /nfs/dbraw/zinc/81/97/25/972819725.db2.gz BPKHQDGBHPFPSZ-RISCZKNCSA-N 2 2 229.327 1.522 20 30 BDEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C#N)CC1)C2 ZINC001172104771 974370130 /nfs/dbraw/zinc/37/01/30/974370130.db2.gz CUJAEYTYQKLMRZ-CLLJXQQHSA-N 2 2 233.359 1.895 20 30 BDEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C#N)CC1)C2 ZINC001172104771 974370137 /nfs/dbraw/zinc/37/01/37/974370137.db2.gz CUJAEYTYQKLMRZ-CLLJXQQHSA-N 2 2 233.359 1.895 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172481993 974784923 /nfs/dbraw/zinc/78/49/23/974784923.db2.gz ZNUVLBDECAMXOI-NWDGAFQWSA-N 2 2 209.337 1.753 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172481993 974784931 /nfs/dbraw/zinc/78/49/31/974784931.db2.gz ZNUVLBDECAMXOI-NWDGAFQWSA-N 2 2 209.337 1.753 20 30 BDEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3[nH]ccc3C#N)C[C@@H]2C1 ZINC001233043442 978427088 /nfs/dbraw/zinc/42/70/88/978427088.db2.gz JCLQOGZTZVCRHD-OLZOCXBDSA-N 2 2 244.342 1.270 20 30 BDEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3[nH]ccc3C#N)C[C@@H]2C1 ZINC001233043442 978427092 /nfs/dbraw/zinc/42/70/92/978427092.db2.gz JCLQOGZTZVCRHD-OLZOCXBDSA-N 2 2 244.342 1.270 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3[nH]ccc3C#N)C[C@@H]2C1 ZINC001233043442 978427105 /nfs/dbraw/zinc/42/71/05/978427105.db2.gz JCLQOGZTZVCRHD-OLZOCXBDSA-N 2 2 244.342 1.270 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3[nH]ccc3C#N)C[C@@H]2C1 ZINC001233043442 978427114 /nfs/dbraw/zinc/42/71/14/978427114.db2.gz JCLQOGZTZVCRHD-OLZOCXBDSA-N 2 2 244.342 1.270 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](C#N)CC2)O1 ZINC001235880927 979176666 /nfs/dbraw/zinc/17/66/66/979176666.db2.gz BMYWPAYHXZNMES-NEPJUHHUSA-N 2 2 237.347 1.337 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](C#N)CC2)O1 ZINC001235880927 979176676 /nfs/dbraw/zinc/17/66/76/979176676.db2.gz BMYWPAYHXZNMES-NEPJUHHUSA-N 2 2 237.347 1.337 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235990202 979272305 /nfs/dbraw/zinc/27/23/05/979272305.db2.gz LSBAFPDDQLGAKR-OCCSQVGLSA-N 2 2 243.310 1.187 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235990202 979272324 /nfs/dbraw/zinc/27/23/24/979272324.db2.gz LSBAFPDDQLGAKR-OCCSQVGLSA-N 2 2 243.310 1.187 20 30 BDEDLP C=CCc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1O ZINC001236168481 979422394 /nfs/dbraw/zinc/42/23/94/979422394.db2.gz JQFHBLRWLIOHGD-ZDUSSCGKSA-N 2 2 232.327 1.654 20 30 BDEDLP C=CCc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1O ZINC001236168481 979422408 /nfs/dbraw/zinc/42/24/08/979422408.db2.gz JQFHBLRWLIOHGD-ZDUSSCGKSA-N 2 2 232.327 1.654 20 30 BDEDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001576503467 984170585 /nfs/dbraw/zinc/17/05/85/984170585.db2.gz SXUXLTPVRUVOBT-ZDUSSCGKSA-N 2 2 230.315 1.124 20 30 BDEDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001576503467 984170588 /nfs/dbraw/zinc/17/05/88/984170588.db2.gz SXUXLTPVRUVOBT-ZDUSSCGKSA-N 2 2 230.315 1.124 20 30 BDEDLP N#Cc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001580081177 986524608 /nfs/dbraw/zinc/52/46/08/986524608.db2.gz WHXLTEJSLMNOFM-CHWSQXEVSA-N 2 2 230.315 1.313 20 30 BDEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001246072857 987361328 /nfs/dbraw/zinc/36/13/28/987361328.db2.gz XLDYKIDPJNHJPL-UONOGXRCSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001246072857 987361335 /nfs/dbraw/zinc/36/13/35/987361335.db2.gz XLDYKIDPJNHJPL-UONOGXRCSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246094557 987406423 /nfs/dbraw/zinc/40/64/23/987406423.db2.gz ZJIYTFCHDBBSSX-VWYCJHECSA-N 2 2 200.301 1.631 20 30 BDEDLP CCCCCCC[C@H](C)[NH2+]CC1(O)C[NH2+]C1 ZINC001246095960 987407393 /nfs/dbraw/zinc/40/73/93/987407393.db2.gz HQWWDGKYWGHSBT-LBPRGKRZSA-N 2 2 228.380 1.659 20 30 BDEDLP CCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246102849 987429518 /nfs/dbraw/zinc/42/95/18/987429518.db2.gz SZXCDPXUFGEHPH-RWMBFGLXSA-N 2 2 228.380 1.658 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246267899 987663313 /nfs/dbraw/zinc/66/33/13/987663313.db2.gz STOQYKMEONEEQK-SWLSCSKDSA-N 2 2 228.339 1.898 20 30 BDEDLP N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246309164 987707980 /nfs/dbraw/zinc/70/79/80/987707980.db2.gz UOFKBRLOUHAHEJ-IUODEOHRSA-N 2 2 241.338 1.887 20 30 BDEDLP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246326215 987732671 /nfs/dbraw/zinc/73/26/71/987732671.db2.gz DDCVPNXWNYRGMZ-CYBMUJFWSA-N 2 2 245.326 1.279 20 30 BDEDLP C#CC1([NH2+][C@H]2CCC[NH2+]C2)CCCCC1 ZINC001246465407 987822638 /nfs/dbraw/zinc/82/26/38/987822638.db2.gz YLCMIQUVVVXWLT-LBPRGKRZSA-N 2 2 206.333 1.664 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246864778 988607545 /nfs/dbraw/zinc/60/75/45/988607545.db2.gz AKFKOHYCLIKUEA-UGFHNGPFSA-N 2 2 241.338 1.522 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246864778 988607558 /nfs/dbraw/zinc/60/75/58/988607558.db2.gz AKFKOHYCLIKUEA-UGFHNGPFSA-N 2 2 241.338 1.522 20 30 BDEDLP CCC#C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560136917 991394344 /nfs/dbraw/zinc/39/43/44/991394344.db2.gz LQKHDLSEKYEWQN-HZSPNIEDSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560136917 991394354 /nfs/dbraw/zinc/39/43/54/991394354.db2.gz LQKHDLSEKYEWQN-HZSPNIEDSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001560136917 991394367 /nfs/dbraw/zinc/39/43/67/991394367.db2.gz LQKHDLSEKYEWQN-HZSPNIEDSA-N 2 2 220.360 1.957 20 30 BDEDLP CCC#C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001560136917 991394380 /nfs/dbraw/zinc/39/43/80/991394380.db2.gz LQKHDLSEKYEWQN-HZSPNIEDSA-N 2 2 220.360 1.957 20 30 BDEDLP C=CCC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258719884 991648928 /nfs/dbraw/zinc/64/89/28/991648928.db2.gz LTYWHSDKTOQYFH-NSHDSACASA-N 2 2 224.352 1.113 20 30 BDEDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335181338 343980588 /nfs/dbraw/zinc/98/05/88/343980588.db2.gz OSADGZSUITZJEH-FZMZJTMJSA-N 2 2 229.327 1.961 20 30 BDEDLP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386190370 398199502 /nfs/dbraw/zinc/19/95/02/398199502.db2.gz ZHGKHQAIYWEZAY-RYUDHWBXSA-N 2 2 212.337 1.309 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000649390188 398197039 /nfs/dbraw/zinc/19/70/39/398197039.db2.gz XNYZRSOAQXSUOI-IHRRRGAJSA-N 2 2 249.358 1.703 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000649390188 398197040 /nfs/dbraw/zinc/19/70/40/398197040.db2.gz XNYZRSOAQXSUOI-IHRRRGAJSA-N 2 2 249.358 1.703 20 30 BDEDLP N#Cc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335540631 398205696 /nfs/dbraw/zinc/20/56/96/398205696.db2.gz RWJSTLFEKAKWFY-AWEZNQCLSA-N 2 2 229.327 1.790 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000080199851 398228622 /nfs/dbraw/zinc/22/86/22/398228622.db2.gz QZBBGNGTSROFNR-UHFFFAOYSA-N 2 2 248.374 1.550 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)CCC#N ZINC000602512591 349586311 /nfs/dbraw/zinc/58/63/11/349586311.db2.gz VPCJAEXOQPATRW-NWDGAFQWSA-N 2 2 220.320 1.801 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000602570397 349620817 /nfs/dbraw/zinc/62/08/17/349620817.db2.gz TYPIHGYBHFVLFE-BZPMIXESSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000602570397 349620819 /nfs/dbraw/zinc/62/08/19/349620819.db2.gz TYPIHGYBHFVLFE-BZPMIXESSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1C ZINC000602644581 349656852 /nfs/dbraw/zinc/65/68/52/349656852.db2.gz ZBSDFXCZZCNOLD-WDEREUQCSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1C ZINC000602644581 349656854 /nfs/dbraw/zinc/65/68/54/349656854.db2.gz ZBSDFXCZZCNOLD-WDEREUQCSA-N 2 2 207.321 1.362 20 30 BDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000236189132 259345086 /nfs/dbraw/zinc/34/50/86/259345086.db2.gz DXMLRWNHZSOWNV-CYBMUJFWSA-N 2 2 215.300 1.400 20 30 BDEDLP N#CC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000335656074 136306419 /nfs/dbraw/zinc/30/64/19/136306419.db2.gz LMXHGLCLLIPEDN-UHFFFAOYSA-N 2 2 230.315 1.824 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@H]1C#N ZINC000602979848 349844261 /nfs/dbraw/zinc/84/42/61/349844261.db2.gz IJZQOOITLSJBCP-STQMWFEESA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@H]1C#N ZINC000602979848 349844262 /nfs/dbraw/zinc/84/42/62/349844262.db2.gz IJZQOOITLSJBCP-STQMWFEESA-N 2 2 232.331 1.897 20 30 BDEDLP CC#CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121867618 344941304 /nfs/dbraw/zinc/94/13/04/344941304.db2.gz MGVIXNZBYYCXSG-ZDUSSCGKSA-N 2 2 206.333 1.427 20 30 BDEDLP CC#CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121867618 344941306 /nfs/dbraw/zinc/94/13/06/344941306.db2.gz MGVIXNZBYYCXSG-ZDUSSCGKSA-N 2 2 206.333 1.427 20 30 BDEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107576434 345554756 /nfs/dbraw/zinc/55/47/56/345554756.db2.gz JNZCWYXXLKMDHY-STQMWFEESA-N 2 2 245.301 1.349 20 30 BDEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000309567155 347103829 /nfs/dbraw/zinc/10/38/29/347103829.db2.gz LIOYYTHHTVZVAT-QWHCGFSZSA-N 2 2 221.348 1.754 20 30 BDEDLP Cc1cccn2cc(CC[NH2+]CCC#N)[nH+]c12 ZINC000591748257 347695885 /nfs/dbraw/zinc/69/58/85/347695885.db2.gz CSSLSDZFSYNRDT-UHFFFAOYSA-N 2 2 228.299 1.689 20 30 BDEDLP N#Cc1cnccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000592491422 347787467 /nfs/dbraw/zinc/78/74/67/347787467.db2.gz JTYBQFPSSKKYGK-AWEZNQCLSA-N 2 2 244.342 1.657 20 30 BDEDLP N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000592491422 347787468 /nfs/dbraw/zinc/78/74/68/347787468.db2.gz JTYBQFPSSKKYGK-AWEZNQCLSA-N 2 2 244.342 1.657 20 30 BDEDLP C[N@H+](Cc1cccc(C#N)c1)CC(C)(C)[NH3+] ZINC000594737211 348109948 /nfs/dbraw/zinc/10/99/48/348109948.db2.gz ZDNRPWCIAZLEEZ-UHFFFAOYSA-N 2 2 217.316 1.727 20 30 BDEDLP C[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)[NH3+] ZINC000594737211 348109950 /nfs/dbraw/zinc/10/99/50/348109950.db2.gz ZDNRPWCIAZLEEZ-UHFFFAOYSA-N 2 2 217.316 1.727 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840799 348375264 /nfs/dbraw/zinc/37/52/64/348375264.db2.gz FQGLOXQUHVACMH-LBPRGKRZSA-N 2 2 218.304 1.198 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840799 348375267 /nfs/dbraw/zinc/37/52/67/348375267.db2.gz FQGLOXQUHVACMH-LBPRGKRZSA-N 2 2 218.304 1.198 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000303549844 490166288 /nfs/dbraw/zinc/16/62/88/490166288.db2.gz JDUKDWWGPMDOLB-NWDGAFQWSA-N 2 2 224.348 1.404 20 30 BDEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000303549844 490166292 /nfs/dbraw/zinc/16/62/92/490166292.db2.gz JDUKDWWGPMDOLB-NWDGAFQWSA-N 2 2 224.348 1.404 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595891015 348389971 /nfs/dbraw/zinc/38/99/71/348389971.db2.gz IVKBIQLWMQPYGV-HNNXBMFYSA-N 2 2 243.354 1.785 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595891015 348389973 /nfs/dbraw/zinc/38/99/73/348389973.db2.gz IVKBIQLWMQPYGV-HNNXBMFYSA-N 2 2 243.354 1.785 20 30 BDEDLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(C#N)c1 ZINC000596655331 348599670 /nfs/dbraw/zinc/59/96/70/348599670.db2.gz VEBDILAVKNEZBK-NUYPLMSZSA-N 2 2 241.338 1.961 20 30 BDEDLP C[C@H](CC#N)[NH2+]CCC[NH+]1CCCCC1 ZINC000308850162 348854959 /nfs/dbraw/zinc/85/49/59/348854959.db2.gz NZEJGSIXZRCMQT-GFCCVEGCSA-N 2 2 209.337 1.754 20 30 BDEDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000598994466 349073821 /nfs/dbraw/zinc/07/38/21/349073821.db2.gz NTQMQRDZBVABGC-LBPRGKRZSA-N 2 2 247.342 1.973 20 30 BDEDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000598994466 349073823 /nfs/dbraw/zinc/07/38/23/349073823.db2.gz NTQMQRDZBVABGC-LBPRGKRZSA-N 2 2 247.342 1.973 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000599087248 349090435 /nfs/dbraw/zinc/09/04/35/349090435.db2.gz GZMBWVPBSXUCHN-TUAOUCFPSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000599087248 349090437 /nfs/dbraw/zinc/09/04/37/349090437.db2.gz GZMBWVPBSXUCHN-TUAOUCFPSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278752997 351780731 /nfs/dbraw/zinc/78/07/31/351780731.db2.gz XEWCZJJDOVEAPM-OLZOCXBDSA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278752997 351780736 /nfs/dbraw/zinc/78/07/36/351780736.db2.gz XEWCZJJDOVEAPM-OLZOCXBDSA-N 2 2 232.331 1.897 20 30 BDEDLP C=CC[N@H+](CCOC)CCn1cc[nH+]c1 ZINC000189420278 166340552 /nfs/dbraw/zinc/34/05/52/166340552.db2.gz XDURMGWCRMKNSV-UHFFFAOYSA-N 2 2 209.293 1.018 20 30 BDEDLP C=CC[N@@H+](CCOC)CCn1cc[nH+]c1 ZINC000189420278 166340557 /nfs/dbraw/zinc/34/05/57/166340557.db2.gz XDURMGWCRMKNSV-UHFFFAOYSA-N 2 2 209.293 1.018 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336745900 352735611 /nfs/dbraw/zinc/73/56/11/352735611.db2.gz BPSMMSNSYUDJJU-NEPJUHHUSA-N 2 2 212.337 1.119 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336745900 352735615 /nfs/dbraw/zinc/73/56/15/352735615.db2.gz BPSMMSNSYUDJJU-NEPJUHHUSA-N 2 2 212.337 1.119 20 30 BDEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@H+](C)C1CC1 ZINC000336757907 353163549 /nfs/dbraw/zinc/16/35/49/353163549.db2.gz ZGFDGOCSRDRHMZ-UTUOFQBUSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000336757907 353163554 /nfs/dbraw/zinc/16/35/54/353163554.db2.gz ZGFDGOCSRDRHMZ-UTUOFQBUSA-N 2 2 221.348 1.751 20 30 BDEDLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336774360 353421836 /nfs/dbraw/zinc/42/18/36/353421836.db2.gz ZRUSZXIRGDHWCF-VXGBXAGGSA-N 2 2 209.337 1.610 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296479 353407415 /nfs/dbraw/zinc/40/74/15/353407415.db2.gz DGJXSAQJMGDJCD-STQMWFEESA-N 2 2 235.375 1.952 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296479 353407418 /nfs/dbraw/zinc/40/74/18/353407418.db2.gz DGJXSAQJMGDJCD-STQMWFEESA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296479 353407420 /nfs/dbraw/zinc/40/74/20/353407420.db2.gz DGJXSAQJMGDJCD-STQMWFEESA-N 2 2 235.375 1.952 20 30 BDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296479 353407422 /nfs/dbraw/zinc/40/74/22/353407422.db2.gz DGJXSAQJMGDJCD-STQMWFEESA-N 2 2 235.375 1.952 20 30 BDEDLP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399003501 353551495 /nfs/dbraw/zinc/55/14/95/353551495.db2.gz UZJPOCGJOJRBPH-UHTWSYAYSA-N 2 2 242.326 1.435 20 30 BDEDLP C=CC[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000290482582 353656559 /nfs/dbraw/zinc/65/65/59/353656559.db2.gz VJTHCPGQCDNYKC-CQSZACIVSA-N 2 2 234.343 1.849 20 30 BDEDLP CC#CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000334753259 354574945 /nfs/dbraw/zinc/57/49/45/354574945.db2.gz UVDFJYVGFIKXFX-UHFFFAOYSA-N 2 2 220.360 1.960 20 30 BDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC#N)C1 ZINC000350149162 355615502 /nfs/dbraw/zinc/61/55/02/355615502.db2.gz DTHKXMCUMZMHIK-CYBMUJFWSA-N 2 2 239.363 1.333 20 30 BDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000350149162 355615504 /nfs/dbraw/zinc/61/55/04/355615504.db2.gz DTHKXMCUMZMHIK-CYBMUJFWSA-N 2 2 239.363 1.333 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000106245781 355772372 /nfs/dbraw/zinc/77/23/72/355772372.db2.gz KFZWUHFSJQYIRQ-UHFFFAOYSA-N 2 2 248.374 1.550 20 30 BDEDLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329250005 355907029 /nfs/dbraw/zinc/90/70/29/355907029.db2.gz UDLZIRHUZOFYPL-JTQLQIEISA-N 2 2 248.330 1.536 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329518979 355927117 /nfs/dbraw/zinc/92/71/17/355927117.db2.gz NTKUEIPAXAWNBA-OUAUKWLOSA-N 2 2 230.315 1.549 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329518979 355927120 /nfs/dbraw/zinc/92/71/20/355927120.db2.gz NTKUEIPAXAWNBA-OUAUKWLOSA-N 2 2 230.315 1.549 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329132619 355898504 /nfs/dbraw/zinc/89/85/04/355898504.db2.gz AUHBMAOZHMSQOL-BXKDBHETSA-N 2 2 248.330 1.318 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329132619 355898506 /nfs/dbraw/zinc/89/85/06/355898506.db2.gz AUHBMAOZHMSQOL-BXKDBHETSA-N 2 2 248.330 1.318 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329132619 355898509 /nfs/dbraw/zinc/89/85/09/355898509.db2.gz AUHBMAOZHMSQOL-BXKDBHETSA-N 2 2 248.330 1.318 20 30 BDEDLP C=C[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000352452710 134145631 /nfs/dbraw/zinc/14/56/31/134145631.db2.gz IPRKRGHYZJDGOF-SNVBAGLBSA-N 2 2 249.339 1.570 20 30 BDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000167749324 134153994 /nfs/dbraw/zinc/15/39/94/134153994.db2.gz CBQSRKSYXUCCGI-ZJUUUORDSA-N 2 2 218.728 1.096 20 30 BDEDLP Cc1cc(NCC2=CC[N@H+](C)CC2)c(C#N)c[nH+]1 ZINC000399500100 356960453 /nfs/dbraw/zinc/96/04/53/356960453.db2.gz JJQQUDNYWSZCIS-UHFFFAOYSA-N 2 2 242.326 1.357 20 30 BDEDLP Cc1cc(NCC2=CC[N@@H+](C)CC2)c(C#N)c[nH+]1 ZINC000399500100 356960454 /nfs/dbraw/zinc/96/04/54/356960454.db2.gz JJQQUDNYWSZCIS-UHFFFAOYSA-N 2 2 242.326 1.357 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000361466978 134205376 /nfs/dbraw/zinc/20/53/76/134205376.db2.gz SILHDSCPGNSIPS-AGIUHOORSA-N 2 2 233.359 1.895 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000361466978 134205377 /nfs/dbraw/zinc/20/53/77/134205377.db2.gz SILHDSCPGNSIPS-AGIUHOORSA-N 2 2 233.359 1.895 20 30 BDEDLP C[NH+](C)CCOc1cc(C[NH2+]CCC#N)ccn1 ZINC000583258786 357737604 /nfs/dbraw/zinc/73/76/04/357737604.db2.gz TUJPZVGJTCGZTD-UHFFFAOYSA-N 2 2 248.330 1.025 20 30 BDEDLP C=CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370721695 134226982 /nfs/dbraw/zinc/22/69/82/134226982.db2.gz AMMAFRIGEPJUIJ-LLVKDONJSA-N 2 2 205.305 1.786 20 30 BDEDLP C=CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370721695 134226983 /nfs/dbraw/zinc/22/69/83/134226983.db2.gz AMMAFRIGEPJUIJ-LLVKDONJSA-N 2 2 205.305 1.786 20 30 BDEDLP C#CC[N@H+](C)CCCNc1cc[nH+]c(C)n1 ZINC000292786662 359285893 /nfs/dbraw/zinc/28/58/93/359285893.db2.gz MECIISHHGOYWRS-UHFFFAOYSA-N 2 2 218.304 1.152 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1cc[nH+]c(C)n1 ZINC000292786662 359285897 /nfs/dbraw/zinc/28/58/97/359285897.db2.gz MECIISHHGOYWRS-UHFFFAOYSA-N 2 2 218.304 1.152 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000579344794 366762615 /nfs/dbraw/zinc/76/26/15/366762615.db2.gz MUDNXJJQWLJXDB-RYUDHWBXSA-N 2 2 220.320 1.114 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000579344794 366762620 /nfs/dbraw/zinc/76/26/20/366762620.db2.gz MUDNXJJQWLJXDB-RYUDHWBXSA-N 2 2 220.320 1.114 20 30 BDEDLP Cc1[nH+]cc(C[NH2+]CC2(CC#N)CC2)n1C ZINC000580963832 367221499 /nfs/dbraw/zinc/22/14/99/367221499.db2.gz SRGDUHFTONDQRJ-UHFFFAOYSA-N 2 2 218.304 1.512 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000581436832 367471340 /nfs/dbraw/zinc/47/13/40/367471340.db2.gz CAFJWOIYWUHZEE-NWDGAFQWSA-N 2 2 232.331 1.902 20 30 BDEDLP C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000581436832 367471342 /nfs/dbraw/zinc/47/13/42/367471342.db2.gz CAFJWOIYWUHZEE-NWDGAFQWSA-N 2 2 232.331 1.902 20 30 BDEDLP C=C(C)CC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000387405780 368169020 /nfs/dbraw/zinc/16/90/20/368169020.db2.gz LTSCPPFZOJZZNU-LBPRGKRZSA-N 2 2 212.337 1.263 20 30 BDEDLP C=C(C)CC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000387405780 368169025 /nfs/dbraw/zinc/16/90/25/368169025.db2.gz LTSCPPFZOJZZNU-LBPRGKRZSA-N 2 2 212.337 1.263 20 30 BDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000619718119 369547589 /nfs/dbraw/zinc/54/75/89/369547589.db2.gz AXZSFUUYYGDODD-LLVKDONJSA-N 2 2 249.314 1.317 20 30 BDEDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523009 369806387 /nfs/dbraw/zinc/80/63/87/369806387.db2.gz YGNAZOYYBFXHIC-GFCCVEGCSA-N 2 2 244.342 1.385 20 30 BDEDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602523009 369806390 /nfs/dbraw/zinc/80/63/90/369806390.db2.gz YGNAZOYYBFXHIC-GFCCVEGCSA-N 2 2 244.342 1.385 20 30 BDEDLP C=CCC[C@H](CCC)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227958 371415716 /nfs/dbraw/zinc/41/57/16/371415716.db2.gz CZVACYIMSBNLHX-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](CCC)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227958 371415721 /nfs/dbraw/zinc/41/57/21/371415721.db2.gz CZVACYIMSBNLHX-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](CCC)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334597 371484921 /nfs/dbraw/zinc/48/49/21/371484921.db2.gz CZVACYIMSBNLHX-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](CCC)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334597 371484925 /nfs/dbraw/zinc/48/49/25/371484925.db2.gz CZVACYIMSBNLHX-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388382 384147050 /nfs/dbraw/zinc/14/70/50/384147050.db2.gz OYLSSULENPKVRJ-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388382 384147052 /nfs/dbraw/zinc/14/70/52/384147052.db2.gz OYLSSULENPKVRJ-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C#CCCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273583717 533036642 /nfs/dbraw/zinc/03/66/42/533036642.db2.gz FATAQHSLWDTDBC-UHFFFAOYSA-N 2 2 244.342 1.320 20 30 BDEDLP Cc1[nH+]ccn1CC[NH+]1CCC(C#N)CC1 ZINC000079839890 384517632 /nfs/dbraw/zinc/51/76/32/384517632.db2.gz BNXOIOHQDLICQK-UHFFFAOYSA-N 2 2 218.304 1.427 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000135483768 384903742 /nfs/dbraw/zinc/90/37/42/384903742.db2.gz NMXGSJLRWVHYDP-SNVBAGLBSA-N 2 2 221.304 1.581 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000308857004 385219728 /nfs/dbraw/zinc/21/97/28/385219728.db2.gz RRRIFYWDRRVNLX-GHMZBOCLSA-N 2 2 204.277 1.165 20 30 BDEDLP CN(C)C(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000170905064 385454175 /nfs/dbraw/zinc/45/41/75/385454175.db2.gz VGJYYOJQWBUNAH-UHFFFAOYSA-N 2 2 245.330 1.372 20 30 BDEDLP CC(C)CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905245 385454609 /nfs/dbraw/zinc/45/46/09/385454609.db2.gz PLDDKZPOCDDTSO-UHFFFAOYSA-N 2 2 249.362 1.444 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000414130850 385978831 /nfs/dbraw/zinc/97/88/31/385978831.db2.gz WYPHQOYFDLLNBN-LBPRGKRZSA-N 2 2 248.374 1.721 20 30 BDEDLP C#CC[NH+]1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000302048909 533156705 /nfs/dbraw/zinc/15/67/05/533156705.db2.gz MNDRATHHGOPZHT-UHFFFAOYSA-N 2 2 244.342 1.103 20 30 BDEDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000086727081 386490618 /nfs/dbraw/zinc/49/06/18/386490618.db2.gz HJQXMAYVMXBCRF-GWCFXTLKSA-N 2 2 215.300 1.571 20 30 BDEDLP C#CC[N@H+](Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000093819770 386849338 /nfs/dbraw/zinc/84/93/38/386849338.db2.gz DZEJGXLPFZZJHE-UHFFFAOYSA-N 2 2 203.289 1.788 20 30 BDEDLP C#CC[N@@H+](Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000093819770 386849343 /nfs/dbraw/zinc/84/93/43/386849343.db2.gz DZEJGXLPFZZJHE-UHFFFAOYSA-N 2 2 203.289 1.788 20 30 BDEDLP C#C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000393618975 259707564 /nfs/dbraw/zinc/70/75/64/259707564.db2.gz JRBFTFPGNZDKFJ-GFCCVEGCSA-N 2 2 208.349 1.718 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423524434 387356799 /nfs/dbraw/zinc/35/67/99/387356799.db2.gz OOWPZKUPRNAEKV-SRVKXCTJSA-N 2 2 212.337 1.165 20 30 BDEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423529819 387360000 /nfs/dbraw/zinc/36/00/00/387360000.db2.gz VYEXTSYHXSLSET-OLZOCXBDSA-N 2 2 226.364 1.699 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192736374 387413925 /nfs/dbraw/zinc/41/39/25/387413925.db2.gz BDLLVJFRCBJIMW-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192736374 387413927 /nfs/dbraw/zinc/41/39/27/387413927.db2.gz BDLLVJFRCBJIMW-XQQFMLRXSA-N 2 2 221.348 1.753 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000328119111 387878536 /nfs/dbraw/zinc/87/85/36/387878536.db2.gz QIQSWZANAKJKFY-GFCCVEGCSA-N 2 2 220.316 1.885 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000328119111 387878541 /nfs/dbraw/zinc/87/85/41/387878541.db2.gz QIQSWZANAKJKFY-GFCCVEGCSA-N 2 2 220.316 1.885 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000424202846 387928863 /nfs/dbraw/zinc/92/88/63/387928863.db2.gz TVVFHYKZIVJVTC-WUHRBBMRSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000424202846 387928865 /nfs/dbraw/zinc/92/88/65/387928865.db2.gz TVVFHYKZIVJVTC-WUHRBBMRSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423166066 387950099 /nfs/dbraw/zinc/95/00/99/387950099.db2.gz CBXGFOZQBKNKPP-VXGBXAGGSA-N 2 2 239.363 1.283 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000453354348 388057041 /nfs/dbraw/zinc/05/70/41/388057041.db2.gz NIOSVECABQVJDB-MQYQWHSLSA-N 2 2 238.375 1.650 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000453354348 388057043 /nfs/dbraw/zinc/05/70/43/388057043.db2.gz NIOSVECABQVJDB-MQYQWHSLSA-N 2 2 238.375 1.650 20 30 BDEDLP C#CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000490780865 388254280 /nfs/dbraw/zinc/25/42/80/388254280.db2.gz SDOAUZQPUPHKFM-ZDUSSCGKSA-N 2 2 206.333 1.283 20 30 BDEDLP C#CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000490780865 388254281 /nfs/dbraw/zinc/25/42/81/388254281.db2.gz SDOAUZQPUPHKFM-ZDUSSCGKSA-N 2 2 206.333 1.283 20 30 BDEDLP C#CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000490780865 388254282 /nfs/dbraw/zinc/25/42/82/388254282.db2.gz SDOAUZQPUPHKFM-ZDUSSCGKSA-N 2 2 206.333 1.283 20 30 BDEDLP C#CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000490780865 388254283 /nfs/dbraw/zinc/25/42/83/388254283.db2.gz SDOAUZQPUPHKFM-ZDUSSCGKSA-N 2 2 206.333 1.283 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449394862 388193497 /nfs/dbraw/zinc/19/34/97/388193497.db2.gz HGPFBKDYCYXEKU-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449394862 388193499 /nfs/dbraw/zinc/19/34/99/388193499.db2.gz HGPFBKDYCYXEKU-KGLIPLIRSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449394861 388193566 /nfs/dbraw/zinc/19/35/66/388193566.db2.gz HGPFBKDYCYXEKU-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449394861 388193567 /nfs/dbraw/zinc/19/35/67/388193567.db2.gz HGPFBKDYCYXEKU-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287100 388543751 /nfs/dbraw/zinc/54/37/51/388543751.db2.gz BYTBOFXRIXTACY-OLZOCXBDSA-N 2 2 235.331 1.457 20 30 BDEDLP N#CCC[NH2+]CCCNc1cccc[nH+]1 ZINC000516645903 388512287 /nfs/dbraw/zinc/51/22/87/388512287.db2.gz WMWNOXWOAKKCLL-UHFFFAOYSA-N 2 2 204.277 1.387 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cn2cccn2)CC1 ZINC000137459893 388561238 /nfs/dbraw/zinc/56/12/38/388561238.db2.gz XIWVJOPHFKGAOU-CYBMUJFWSA-N 2 2 248.374 1.512 20 30 BDEDLP C[C@@H](C[NH2+]Cc1nc(C#N)cs1)C[NH+](C)C ZINC000309551289 388663858 /nfs/dbraw/zinc/66/38/58/388663858.db2.gz IHNUSPZFUQIXTB-VIFPVBQESA-N 2 2 238.360 1.302 20 30 BDEDLP N#Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423096006 388688585 /nfs/dbraw/zinc/68/85/85/388688585.db2.gz GVJNPKBMCWRBAJ-CYBMUJFWSA-N 2 2 215.300 1.052 20 30 BDEDLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423226091 388690233 /nfs/dbraw/zinc/69/02/33/388690233.db2.gz PJIWLYIKROZHBS-JTQLQIEISA-N 2 2 203.289 1.428 20 30 BDEDLP CC[N@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000126730949 388700477 /nfs/dbraw/zinc/70/04/77/388700477.db2.gz ZWMHOIUBLUJGHO-UHFFFAOYSA-N 2 2 211.353 1.858 20 30 BDEDLP CC[N@@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000126730949 388700479 /nfs/dbraw/zinc/70/04/79/388700479.db2.gz ZWMHOIUBLUJGHO-UHFFFAOYSA-N 2 2 211.353 1.858 20 30 BDEDLP Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)c(C#N)c[nH+]1 ZINC000333251708 388812896 /nfs/dbraw/zinc/81/28/96/388812896.db2.gz GYIPQFZZQFYVJC-JQWIXIFHSA-N 2 2 230.315 1.236 20 30 BDEDLP C=C(C)COCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000565844968 388974226 /nfs/dbraw/zinc/97/42/26/388974226.db2.gz GJMOHBOCQYYMJQ-UHFFFAOYSA-N 2 2 223.320 1.411 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330332618 134004655 /nfs/dbraw/zinc/00/46/55/134004655.db2.gz YAJHYBXUJLYSCV-WDEREUQCSA-N 2 2 248.330 1.249 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330332618 134004656 /nfs/dbraw/zinc/00/46/56/134004656.db2.gz YAJHYBXUJLYSCV-WDEREUQCSA-N 2 2 248.330 1.249 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352357922 134142069 /nfs/dbraw/zinc/14/20/69/134142069.db2.gz QQVMYRMBHQMLPH-TZMCWYRMSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352357922 134142070 /nfs/dbraw/zinc/14/20/70/134142070.db2.gz QQVMYRMBHQMLPH-TZMCWYRMSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352357922 134142071 /nfs/dbraw/zinc/14/20/71/134142071.db2.gz QQVMYRMBHQMLPH-TZMCWYRMSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352357922 134142072 /nfs/dbraw/zinc/14/20/72/134142072.db2.gz QQVMYRMBHQMLPH-TZMCWYRMSA-N 2 2 238.375 1.482 20 30 BDEDLP CC#CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000119419701 134226496 /nfs/dbraw/zinc/22/64/96/134226496.db2.gz MIAZLGJVQVLBBZ-HNNXBMFYSA-N 2 2 249.402 1.112 20 30 BDEDLP CC#CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000119419701 134226497 /nfs/dbraw/zinc/22/64/97/134226497.db2.gz MIAZLGJVQVLBBZ-HNNXBMFYSA-N 2 2 249.402 1.112 20 30 BDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC1CC1 ZINC000262163499 135117197 /nfs/dbraw/zinc/11/71/97/135117197.db2.gz TYBAWWRNAOXRNY-UHFFFAOYSA-N 2 2 247.346 1.047 20 30 BDEDLP C[C@@H]1C[NH+]=C(NCCc2[nH]c3ccccc3[nH+]2)N1 ZINC000262479593 135119176 /nfs/dbraw/zinc/11/91/76/135119176.db2.gz CSWMGRFVWTUSHI-SECBINFHSA-N 2 2 243.314 1.043 20 30 BDEDLP N#CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266778663 135149015 /nfs/dbraw/zinc/14/90/15/135149015.db2.gz UMKIQOQLMMPPHJ-UHFFFAOYSA-N 2 2 204.277 1.503 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cncs1 ZINC000295021898 135379342 /nfs/dbraw/zinc/37/93/42/135379342.db2.gz NUPZRLHASYLCGK-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cncs1 ZINC000295021898 135379344 /nfs/dbraw/zinc/37/93/44/135379344.db2.gz NUPZRLHASYLCGK-LLVKDONJSA-N 2 2 237.372 1.749 20 30 BDEDLP C=C(C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657478450 411525708 /nfs/dbraw/zinc/52/57/08/411525708.db2.gz ANLTXDDZRHPPIO-UHFFFAOYSA-N 2 2 205.305 1.885 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657482042 411527034 /nfs/dbraw/zinc/52/70/34/411527034.db2.gz OIPOBFZKHOJOGO-NEPJUHHUSA-N 2 2 233.315 1.262 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657658043 411571898 /nfs/dbraw/zinc/57/18/98/411571898.db2.gz KEKZXFFOQGRRRC-OLZOCXBDSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657658043 411571899 /nfs/dbraw/zinc/57/18/99/411571899.db2.gz KEKZXFFOQGRRRC-OLZOCXBDSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CC[C@]1(C(=O)Nc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000662714584 412281390 /nfs/dbraw/zinc/28/13/90/412281390.db2.gz JEDGCWCGLKWCPZ-CQSZACIVSA-N 2 2 245.326 1.449 20 30 BDEDLP C#C[C@@H](C)[NH+](C)CCC[N@@H+](C)[C@@H](C)C#C ZINC000491713270 229207582 /nfs/dbraw/zinc/20/75/82/229207582.db2.gz ZSZPVQXZUSSRFR-BETUJISGSA-N 2 2 206.333 1.284 20 30 BDEDLP C#C[C@@H](C)[NH+](C)CCC[N@H+](C)[C@@H](C)C#C ZINC000491713270 229207586 /nfs/dbraw/zinc/20/75/86/229207586.db2.gz ZSZPVQXZUSSRFR-BETUJISGSA-N 2 2 206.333 1.284 20 30 BDEDLP C#C[C@@H](C)[N@@H+](C)CCC[NH+](C)[C@@H](C)C#C ZINC000491713270 229207587 /nfs/dbraw/zinc/20/75/87/229207587.db2.gz ZSZPVQXZUSSRFR-BETUJISGSA-N 2 2 206.333 1.284 20 30 BDEDLP C#C[C@@H](C)[N@H+](C)CCC[NH+](C)[C@@H](C)C#C ZINC000491713270 229207592 /nfs/dbraw/zinc/20/75/92/229207592.db2.gz ZSZPVQXZUSSRFR-BETUJISGSA-N 2 2 206.333 1.284 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000846775874 588287586 /nfs/dbraw/zinc/28/75/86/588287586.db2.gz DREYLTOAVAEISH-LBPRGKRZSA-N 2 2 214.353 1.195 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000846775874 588287587 /nfs/dbraw/zinc/28/75/87/588287587.db2.gz DREYLTOAVAEISH-LBPRGKRZSA-N 2 2 214.353 1.195 20 30 BDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000846775874 588287588 /nfs/dbraw/zinc/28/75/88/588287588.db2.gz DREYLTOAVAEISH-LBPRGKRZSA-N 2 2 214.353 1.195 20 30 BDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000846775874 588287589 /nfs/dbraw/zinc/28/75/89/588287589.db2.gz DREYLTOAVAEISH-LBPRGKRZSA-N 2 2 214.353 1.195 20 30 BDEDLP Cn1cc(C[NH2+]C2CC([NH+](C)C)C2)cc1C#N ZINC000563417554 323123617 /nfs/dbraw/zinc/12/36/17/323123617.db2.gz MUFSQBLXRIYNFH-UHFFFAOYSA-N 2 2 232.331 1.079 20 30 BDEDLP CC#CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573331 323186094 /nfs/dbraw/zinc/18/60/94/323186094.db2.gz HQYHHYJALXJDQX-UHFFFAOYSA-N 2 2 229.327 1.981 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535758006 323190471 /nfs/dbraw/zinc/19/04/71/323190471.db2.gz OQKFYGUNJWALBI-QWHCGFSZSA-N 2 2 249.358 1.537 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535758006 323190472 /nfs/dbraw/zinc/19/04/72/323190472.db2.gz OQKFYGUNJWALBI-QWHCGFSZSA-N 2 2 249.358 1.537 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535758007 323190488 /nfs/dbraw/zinc/19/04/88/323190488.db2.gz OQKFYGUNJWALBI-STQMWFEESA-N 2 2 249.358 1.537 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535758007 323190489 /nfs/dbraw/zinc/19/04/89/323190489.db2.gz OQKFYGUNJWALBI-STQMWFEESA-N 2 2 249.358 1.537 20 30 BDEDLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000130554357 325066452 /nfs/dbraw/zinc/06/64/52/325066452.db2.gz KCMKEJDCUKPNMT-UHFFFAOYSA-N 2 2 240.310 1.887 20 30 BDEDLP C#CC[NH+](CC#C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072906294 325180147 /nfs/dbraw/zinc/18/01/47/325180147.db2.gz HANKIMVXFXJPHN-UHFFFAOYSA-N 2 2 249.317 1.941 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000491714712 488038381 /nfs/dbraw/zinc/03/83/81/488038381.db2.gz HHALNZDVFBJRAE-CYBMUJFWSA-N 2 2 248.374 1.416 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000491714712 488038384 /nfs/dbraw/zinc/03/83/84/488038384.db2.gz HHALNZDVFBJRAE-CYBMUJFWSA-N 2 2 248.374 1.416 20 30 BDEDLP C#CC[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000274080502 487507394 /nfs/dbraw/zinc/50/73/94/487507394.db2.gz GZLGWDALQVHYJY-UHFFFAOYSA-N 2 2 225.295 1.932 20 30 BDEDLP C#CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000274080502 487507395 /nfs/dbraw/zinc/50/73/95/487507395.db2.gz GZLGWDALQVHYJY-UHFFFAOYSA-N 2 2 225.295 1.932 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000677819326 487516134 /nfs/dbraw/zinc/51/61/34/487516134.db2.gz YBHFHIYQNULRLK-GFCCVEGCSA-N 2 2 233.315 1.239 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000677819326 487516138 /nfs/dbraw/zinc/51/61/38/487516138.db2.gz YBHFHIYQNULRLK-GFCCVEGCSA-N 2 2 233.315 1.239 20 30 BDEDLP Cc1c[nH+]ccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436741 490147961 /nfs/dbraw/zinc/14/79/61/490147961.db2.gz GALCGOMCYYFQAT-NSHDSACASA-N 2 2 246.314 1.162 20 30 BDEDLP C=CC[C@@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000184284681 534317235 /nfs/dbraw/zinc/31/72/35/534317235.db2.gz XRKREXFRFLCYIZ-LBPRGKRZSA-N 2 2 245.326 1.669 20 30 BDEDLP C=CC(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000898460634 584137869 /nfs/dbraw/zinc/13/78/69/584137869.db2.gz QIODBYWLKGWUDG-UHFFFAOYSA-N 2 2 205.305 1.884 20 30 BDEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000902447329 584604584 /nfs/dbraw/zinc/60/45/84/584604584.db2.gz SPDFPSFPEFYWHT-DTWKUNHWSA-N 2 2 236.344 1.374 20 30 BDEDLP N#Cc1csc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000902447328 584604866 /nfs/dbraw/zinc/60/48/66/584604866.db2.gz SPDFPSFPEFYWHT-BDAKNGLRSA-N 2 2 236.344 1.374 20 30 BDEDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(C#N)ccn1 ZINC000902724742 584661079 /nfs/dbraw/zinc/66/10/79/584661079.db2.gz ICCCMYGDVXQIBQ-LLVKDONJSA-N 2 2 241.298 1.501 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000903090660 584725923 /nfs/dbraw/zinc/72/59/23/584725923.db2.gz FRMVJLJTAPYTAA-KGLIPLIRSA-N 2 2 238.375 1.794 20 30 BDEDLP CC1(C)C[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000903560242 584782416 /nfs/dbraw/zinc/78/24/16/584782416.db2.gz ZBLDRNMJFUZQCM-AWEZNQCLSA-N 2 2 243.354 1.770 20 30 BDEDLP CC1(C)C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000903560242 584782418 /nfs/dbraw/zinc/78/24/18/584782418.db2.gz ZBLDRNMJFUZQCM-AWEZNQCLSA-N 2 2 243.354 1.770 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000775571992 585680206 /nfs/dbraw/zinc/68/02/06/585680206.db2.gz NMOHNMPAVATGIB-MQYQWHSLSA-N 2 2 236.359 1.240 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000775571992 585680207 /nfs/dbraw/zinc/68/02/07/585680207.db2.gz NMOHNMPAVATGIB-MQYQWHSLSA-N 2 2 236.359 1.240 20 30 BDEDLP C[C@@H](CC#N)N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000776188056 585692459 /nfs/dbraw/zinc/69/24/59/585692459.db2.gz UKNRHYMLTSHJKY-JTQLQIEISA-N 2 2 231.303 1.373 20 30 BDEDLP C[C@H](C#N)OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000801933888 586278983 /nfs/dbraw/zinc/27/89/83/586278983.db2.gz DADGQSFYHIOAHZ-LLVKDONJSA-N 2 2 248.330 1.518 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000825227511 587310453 /nfs/dbraw/zinc/31/04/53/587310453.db2.gz UGYOXFFUONLRGO-IUODEOHRSA-N 2 2 228.339 1.708 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000825227511 587310455 /nfs/dbraw/zinc/31/04/55/587310455.db2.gz UGYOXFFUONLRGO-IUODEOHRSA-N 2 2 228.339 1.708 20 30 BDEDLP C[C@H](C#N)OCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846839519 588292329 /nfs/dbraw/zinc/29/23/29/588292329.db2.gz VSORATJBDSAJBC-VXGBXAGGSA-N 2 2 248.330 1.138 20 30 BDEDLP C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846839519 588292330 /nfs/dbraw/zinc/29/23/30/588292330.db2.gz VSORATJBDSAJBC-VXGBXAGGSA-N 2 2 248.330 1.138 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000847021774 588302975 /nfs/dbraw/zinc/30/29/75/588302975.db2.gz PAOZBWMGKSVWJC-ZDUSSCGKSA-N 2 2 217.316 1.537 20 30 BDEDLP C#C[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000847021774 588302976 /nfs/dbraw/zinc/30/29/76/588302976.db2.gz PAOZBWMGKSVWJC-ZDUSSCGKSA-N 2 2 217.316 1.537 20 30 BDEDLP c1cn(CCCN=NC2CC[N@@H+]3CCC[C@H]23)c[nH+]1 ZINC000848418682 588382601 /nfs/dbraw/zinc/38/26/01/588382601.db2.gz PGZFKRAZPWFFEO-CYBMUJFWSA-N 2 2 247.346 1.087 20 30 BDEDLP c1cn(CCCN=NC2CC[N@H+]3CCC[C@H]23)c[nH+]1 ZINC000848418682 588382602 /nfs/dbraw/zinc/38/26/02/588382602.db2.gz PGZFKRAZPWFFEO-CYBMUJFWSA-N 2 2 247.346 1.087 20 30 BDEDLP C#CCSCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120030928 589357764 /nfs/dbraw/zinc/35/77/64/589357764.db2.gz YPYMPYKYPNNGIG-NEPJUHHUSA-N 2 2 238.400 1.568 20 30 BDEDLP C#CCSCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000120030928 589357765 /nfs/dbraw/zinc/35/77/65/589357765.db2.gz YPYMPYKYPNNGIG-NEPJUHHUSA-N 2 2 238.400 1.568 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412116 589491217 /nfs/dbraw/zinc/49/12/17/589491217.db2.gz DFVWXKYTCYIQCF-STQMWFEESA-N 2 2 240.391 1.776 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412116 589491218 /nfs/dbraw/zinc/49/12/18/589491218.db2.gz DFVWXKYTCYIQCF-STQMWFEESA-N 2 2 240.391 1.776 20 30 BDEDLP C#CCOCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474177 591054205 /nfs/dbraw/zinc/05/42/05/591054205.db2.gz FOSWVWPLBDYXLZ-UHFFFAOYSA-N 2 2 236.359 1.196 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000883131345 591546772 /nfs/dbraw/zinc/54/67/72/591546772.db2.gz XCPODCJMVPTOOC-UHFFFAOYSA-N 2 2 247.342 1.597 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000883131345 591546774 /nfs/dbraw/zinc/54/67/74/591546774.db2.gz XCPODCJMVPTOOC-UHFFFAOYSA-N 2 2 247.342 1.597 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)nc1 ZINC000883131279 591547324 /nfs/dbraw/zinc/54/73/24/591547324.db2.gz UCDKRDRBQVLWRZ-UHFFFAOYSA-N 2 2 235.306 1.265 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)nc1 ZINC000883131279 591547327 /nfs/dbraw/zinc/54/73/27/591547327.db2.gz UCDKRDRBQVLWRZ-UHFFFAOYSA-N 2 2 235.306 1.265 20 30 BDEDLP C=C(C)C[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000883400007 591646070 /nfs/dbraw/zinc/64/60/70/591646070.db2.gz BGQJCEGNTNKEBH-GFCCVEGCSA-N 2 2 245.326 1.751 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000328166234 633740901 /nfs/dbraw/zinc/74/09/01/633740901.db2.gz JFVOUGALEFJADD-UHFFFAOYSA-N 2 2 217.316 1.126 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000328166234 633740907 /nfs/dbraw/zinc/74/09/07/633740907.db2.gz JFVOUGALEFJADD-UHFFFAOYSA-N 2 2 217.316 1.126 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccn1 ZINC000328231491 633742547 /nfs/dbraw/zinc/74/25/47/633742547.db2.gz DFRJVPKFQSLMFU-UHFFFAOYSA-N 2 2 217.316 1.126 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccn1 ZINC000328231491 633742555 /nfs/dbraw/zinc/74/25/55/633742555.db2.gz DFRJVPKFQSLMFU-UHFFFAOYSA-N 2 2 217.316 1.126 20 30 BDEDLP C#CCC1([NH2+]Cc2[nH]c(C)[nH+]c2C)CCOCC1 ZINC000931760899 640354148 /nfs/dbraw/zinc/35/41/48/640354148.db2.gz MWRLBRHBBXPJNM-UHFFFAOYSA-N 2 2 247.342 1.689 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923378882 644392636 /nfs/dbraw/zinc/39/26/36/644392636.db2.gz GBAFWLWHSPEIBD-OLZOCXBDSA-N 2 2 224.348 1.141 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923378882 644392637 /nfs/dbraw/zinc/39/26/37/644392637.db2.gz GBAFWLWHSPEIBD-OLZOCXBDSA-N 2 2 224.348 1.141 20 30 BDEDLP C=CCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925633543 646370131 /nfs/dbraw/zinc/37/01/31/646370131.db2.gz FDCOFSYWAMHQJG-VXGBXAGGSA-N 2 2 212.337 1.309 20 30 BDEDLP N#CCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925653889 646391597 /nfs/dbraw/zinc/39/15/97/646391597.db2.gz BWJGWGWJGNGYHQ-GFCCVEGCSA-N 2 2 233.359 1.945 20 30 BDEDLP N#CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926132521 646581873 /nfs/dbraw/zinc/58/18/73/646581873.db2.gz MBWGWTOXIWCRAN-CHWSQXEVSA-N 2 2 221.348 1.897 20 30 BDEDLP N#CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926132521 646581876 /nfs/dbraw/zinc/58/18/76/646581876.db2.gz MBWGWTOXIWCRAN-CHWSQXEVSA-N 2 2 221.348 1.897 20 30 BDEDLP N#CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926132539 646582426 /nfs/dbraw/zinc/58/24/26/646582426.db2.gz MBWGWTOXIWCRAN-QWHCGFSZSA-N 2 2 221.348 1.897 20 30 BDEDLP N#CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926132539 646582429 /nfs/dbraw/zinc/58/24/29/646582429.db2.gz MBWGWTOXIWCRAN-QWHCGFSZSA-N 2 2 221.348 1.897 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccnnc1 ZINC000926491590 646660326 /nfs/dbraw/zinc/66/03/26/646660326.db2.gz XXALYNMLCWNORC-GFCCVEGCSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccnnc1 ZINC000926491590 646660330 /nfs/dbraw/zinc/66/03/30/646660330.db2.gz XXALYNMLCWNORC-GFCCVEGCSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncs1 ZINC000382072717 710773147 /nfs/dbraw/zinc/77/31/47/710773147.db2.gz SPWSWTFZTNELJL-UHFFFAOYSA-N 2 2 223.345 1.188 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncs1 ZINC000382072717 710773149 /nfs/dbraw/zinc/77/31/49/710773149.db2.gz SPWSWTFZTNELJL-UHFFFAOYSA-N 2 2 223.345 1.188 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715008608 712503850 /nfs/dbraw/zinc/50/38/50/712503850.db2.gz PBQNFUMYIUDRFE-GHMZBOCLSA-N 2 2 214.740 1.813 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715008608 712503851 /nfs/dbraw/zinc/50/38/51/712503851.db2.gz PBQNFUMYIUDRFE-GHMZBOCLSA-N 2 2 214.740 1.813 20 30 BDEDLP CNC(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000715612570 712527749 /nfs/dbraw/zinc/52/77/49/712527749.db2.gz VPAQGDHUTSTEHG-ZDUSSCGKSA-N 2 2 246.358 1.056 20 30 BDEDLP CNC(NC[C@@H]1CC[N@H+]1Cc1ccccc1)=[NH+]C ZINC000715612570 712527750 /nfs/dbraw/zinc/52/77/50/712527750.db2.gz VPAQGDHUTSTEHG-ZDUSSCGKSA-N 2 2 246.358 1.056 20 30 BDEDLP C[NH2+][C@@]12CC[C@@]([NH2+]CCC#N)(C1)CCC2 ZINC001277936706 979022600 /nfs/dbraw/zinc/02/26/00/979022600.db2.gz ODSKHYGXTRJLIO-NWDGAFQWSA-N 2 2 207.321 1.554 20 30 BDEDLP C[C@H](CCCC#N)n1cc[nH+]c1CC[NH3+] ZINC001172479224 974776786 /nfs/dbraw/zinc/77/67/86/974776786.db2.gz KKSXBVLSMHNWOY-SNVBAGLBSA-N 2 2 206.293 1.639 20 30 BDEDLP C#CCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209268206 957376030 /nfs/dbraw/zinc/37/60/30/957376030.db2.gz WKPGBWXEPXMJOJ-QWHCGFSZSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209268206 957376040 /nfs/dbraw/zinc/37/60/40/957376040.db2.gz WKPGBWXEPXMJOJ-QWHCGFSZSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209268206 957376050 /nfs/dbraw/zinc/37/60/50/957376050.db2.gz WKPGBWXEPXMJOJ-QWHCGFSZSA-N 2 2 206.333 1.426 20 30 BDEDLP C#CCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209268206 957376059 /nfs/dbraw/zinc/37/60/59/957376059.db2.gz WKPGBWXEPXMJOJ-QWHCGFSZSA-N 2 2 206.333 1.426 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924984021 962812234 /nfs/dbraw/zinc/81/22/34/962812234.db2.gz LUESODFFUYTCES-SGMGOOAPSA-N 2 2 238.375 1.650 20 30 BDEDLP Cc1[nH+]c(N2CC3(C2)C[NH+](C)C3)ccc1CC#N ZINC001158869106 963946796 /nfs/dbraw/zinc/94/67/96/963946796.db2.gz VYOCFZQMZYTLRT-UHFFFAOYSA-N 2 2 242.326 1.208 20 30 BDEDLP N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117830 965871449 /nfs/dbraw/zinc/87/14/49/965871449.db2.gz WRSJZQFZOBHWNV-ZDUSSCGKSA-N 2 2 245.326 1.577 20 30 BDEDLP N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117830 965871457 /nfs/dbraw/zinc/87/14/57/965871457.db2.gz WRSJZQFZOBHWNV-ZDUSSCGKSA-N 2 2 245.326 1.577 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206176358 968110779 /nfs/dbraw/zinc/11/07/79/968110779.db2.gz ZISAYCPRLKNXIS-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206176358 968110786 /nfs/dbraw/zinc/11/07/86/968110786.db2.gz ZISAYCPRLKNXIS-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206195968 968126559 /nfs/dbraw/zinc/12/65/59/968126559.db2.gz AHQQOVWEMVIKKH-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206195968 968126566 /nfs/dbraw/zinc/12/65/66/968126566.db2.gz AHQQOVWEMVIKKH-QWHCGFSZSA-N 2 2 248.305 1.214 20 30 BDEDLP C#CCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336271 968222967 /nfs/dbraw/zinc/22/29/67/968222967.db2.gz KSMTZZRBKWIRAZ-LBPRGKRZSA-N 2 2 212.312 1.553 20 30 BDEDLP C#CCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336271 968222976 /nfs/dbraw/zinc/22/29/76/968222976.db2.gz KSMTZZRBKWIRAZ-LBPRGKRZSA-N 2 2 212.312 1.553 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001252587709 968843219 /nfs/dbraw/zinc/84/32/19/968843219.db2.gz VPVZBYBZKVRTIM-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001252587709 968843221 /nfs/dbraw/zinc/84/32/21/968843221.db2.gz VPVZBYBZKVRTIM-QWHCGFSZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001253580875 969254846 /nfs/dbraw/zinc/25/48/46/969254846.db2.gz ACKYAZNCJJYWRU-LBPRGKRZSA-N 2 2 221.304 1.067 20 30 BDEDLP C=CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169140400 969446409 /nfs/dbraw/zinc/44/64/09/969446409.db2.gz JTAYISHOCSELCI-FICVDOATSA-N 2 2 249.402 1.415 20 30 BDEDLP C=CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140400 969446412 /nfs/dbraw/zinc/44/64/12/969446412.db2.gz JTAYISHOCSELCI-FICVDOATSA-N 2 2 249.402 1.415 20 30 BDEDLP N#Cc1cc[nH]c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222548410 972561329 /nfs/dbraw/zinc/56/13/29/972561329.db2.gz KTZULGHMHCVSLV-UHFFFAOYSA-N 2 2 236.294 1.149 20 30 BDEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246557692 972774433 /nfs/dbraw/zinc/77/44/33/972774433.db2.gz NWTNWGWMADCUPW-YNEHKIRRSA-N 2 2 228.380 1.739 20 30 BDEDLP CCCCCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246557692 972774446 /nfs/dbraw/zinc/77/44/46/972774446.db2.gz NWTNWGWMADCUPW-YNEHKIRRSA-N 2 2 228.380 1.739 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206164070 974628859 /nfs/dbraw/zinc/62/88/59/974628859.db2.gz JEFRABJKJLAAIM-KGLIPLIRSA-N 2 2 247.317 1.819 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206164070 974628862 /nfs/dbraw/zinc/62/88/62/974628862.db2.gz JEFRABJKJLAAIM-KGLIPLIRSA-N 2 2 247.317 1.819 20 30 BDEDLP C=CCO[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC001333888227 976145964 /nfs/dbraw/zinc/14/59/64/976145964.db2.gz MLADQZYFRVHREQ-CYBMUJFWSA-N 2 2 235.331 1.505 20 30 BDEDLP C=CCO[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC001333888227 976145985 /nfs/dbraw/zinc/14/59/85/976145985.db2.gz MLADQZYFRVHREQ-CYBMUJFWSA-N 2 2 235.331 1.505 20 30 BDEDLP CC#CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335382343 977016932 /nfs/dbraw/zinc/01/69/32/977016932.db2.gz PHTNNJXIGPILMC-OAHLLOKOSA-N 2 2 246.354 1.092 20 30 BDEDLP CC#CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335382343 977016944 /nfs/dbraw/zinc/01/69/44/977016944.db2.gz PHTNNJXIGPILMC-OAHLLOKOSA-N 2 2 246.354 1.092 20 30 BDEDLP CCCCCCC[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001234973556 978939160 /nfs/dbraw/zinc/93/91/60/978939160.db2.gz HYAKASCSXVDNLI-AWEZNQCLSA-N 2 2 239.407 1.546 20 30 BDEDLP CCCCCCC[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001234973556 978939165 /nfs/dbraw/zinc/93/91/65/978939165.db2.gz HYAKASCSXVDNLI-AWEZNQCLSA-N 2 2 239.407 1.546 20 30 BDEDLP C#CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236245152 979464487 /nfs/dbraw/zinc/46/44/87/979464487.db2.gz KOZCDGVYTIHKGM-CQSZACIVSA-N 2 2 244.338 1.622 20 30 BDEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236245152 979464492 /nfs/dbraw/zinc/46/44/92/979464492.db2.gz KOZCDGVYTIHKGM-CQSZACIVSA-N 2 2 244.338 1.622 20 30 BDEDLP C=CCCCCCC[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237175312 979827600 /nfs/dbraw/zinc/82/76/00/979827600.db2.gz IFCJULOHUVNDEF-ZDUSSCGKSA-N 2 2 238.375 1.782 20 30 BDEDLP C=CCCCCCC[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237175312 979827602 /nfs/dbraw/zinc/82/76/02/979827602.db2.gz IFCJULOHUVNDEF-ZDUSSCGKSA-N 2 2 238.375 1.782 20 30 BDEDLP C=CC[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238118205 980166521 /nfs/dbraw/zinc/16/65/21/980166521.db2.gz HYOZKHAXMLDIBP-UHFFFAOYSA-N 2 2 201.273 1.952 20 30 BDEDLP C=CC[N@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238118205 980166530 /nfs/dbraw/zinc/16/65/30/980166530.db2.gz HYOZKHAXMLDIBP-UHFFFAOYSA-N 2 2 201.273 1.952 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]CCc1[nH]c[nH+]c1C ZINC001252615352 983851368 /nfs/dbraw/zinc/85/13/68/983851368.db2.gz ZRTHZCQEQKMLID-NSHDSACASA-N 2 2 223.320 1.177 20 30 BDEDLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001578241827 984894141 /nfs/dbraw/zinc/89/41/41/984894141.db2.gz NHEJFKDBTSYTSD-YFKTTZPYSA-N 2 2 207.321 1.409 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246035481 987335758 /nfs/dbraw/zinc/33/57/58/987335758.db2.gz SDZZPBKSADWMHD-UONOGXRCSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246035481 987335766 /nfs/dbraw/zinc/33/57/66/987335766.db2.gz SDZZPBKSADWMHD-UONOGXRCSA-N 2 2 238.375 1.532 20 30 BDEDLP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001246072855 987358873 /nfs/dbraw/zinc/35/88/73/987358873.db2.gz XLDYKIDPJNHJPL-KBPBESRZSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001246072855 987358880 /nfs/dbraw/zinc/35/88/80/987358880.db2.gz XLDYKIDPJNHJPL-KBPBESRZSA-N 2 2 240.391 1.907 20 30 BDEDLP C#CC(CC)(CC)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246072627 987359438 /nfs/dbraw/zinc/35/94/38/987359438.db2.gz QBZMRVFNTKEOCX-NWDGAFQWSA-N 2 2 208.349 1.909 20 30 BDEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246102851 987426658 /nfs/dbraw/zinc/42/66/58/987426658.db2.gz SZXCDPXUFGEHPH-YNEHKIRRSA-N 2 2 228.380 1.658 20 30 BDEDLP C#Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246267894 987662945 /nfs/dbraw/zinc/66/29/45/987662945.db2.gz SOXMLRDUTPXJCD-AWEZNQCLSA-N 2 2 214.312 1.510 20 30 BDEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH2+]CC1 ZINC001246287655 987681085 /nfs/dbraw/zinc/68/10/85/987681085.db2.gz OXGNGZGTPXPGEB-UHFFFAOYSA-N 2 2 214.312 1.380 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001324487506 988853491 /nfs/dbraw/zinc/85/34/91/988853491.db2.gz XEGQKOCEMATGJO-CQSZACIVSA-N 2 2 240.391 1.730 20 30 BDEDLP C=CCC[C@@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258722942 991656780 /nfs/dbraw/zinc/65/67/80/991656780.db2.gz WPSAIXMUEVCYNC-CQSZACIVSA-N 3 2 241.423 1.944 20 30 BDEDLP C=CCC[C@@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258722942 991656783 /nfs/dbraw/zinc/65/67/83/991656783.db2.gz WPSAIXMUEVCYNC-CQSZACIVSA-N 3 2 241.423 1.944 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000649386234 398192990 /nfs/dbraw/zinc/19/29/90/398192990.db2.gz VQRNVXGIACSRDQ-ZDUSSCGKSA-N 2 2 235.331 1.526 20 30 BDEDLP Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c(C#N)c[nH+]1 ZINC000333322793 178119582 /nfs/dbraw/zinc/11/95/82/178119582.db2.gz UUBHMKHKPSNXMC-AWEZNQCLSA-N 2 2 242.326 1.452 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000602531207 349580337 /nfs/dbraw/zinc/58/03/37/349580337.db2.gz ULWXHJVLAGGCLD-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000602531207 349580341 /nfs/dbraw/zinc/58/03/41/349580341.db2.gz ULWXHJVLAGGCLD-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C#N)CC1 ZINC000602511972 349585019 /nfs/dbraw/zinc/58/50/19/349585019.db2.gz SYPTVIGWELWTKH-PNESKVBLSA-N 2 2 232.331 1.944 20 30 BDEDLP N#CC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000602543320 349587826 /nfs/dbraw/zinc/58/78/26/349587826.db2.gz APOWZBDPEGNOGW-BPCQOVAHSA-N 2 2 233.359 1.895 20 30 BDEDLP N#CC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000602543320 349587829 /nfs/dbraw/zinc/58/78/29/349587829.db2.gz APOWZBDPEGNOGW-BPCQOVAHSA-N 2 2 233.359 1.895 20 30 BDEDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000309652647 342776474 /nfs/dbraw/zinc/77/64/74/342776474.db2.gz ORAJXFHAWIKINW-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000309652647 342776475 /nfs/dbraw/zinc/77/64/75/342776475.db2.gz ORAJXFHAWIKINW-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000602620777 349641596 /nfs/dbraw/zinc/64/15/96/349641596.db2.gz GDYMCUGEMVMXRW-NEPJUHHUSA-N 2 2 232.331 1.727 20 30 BDEDLP C[C@H](CCC#N)C[NH2+]C(C)(C)C[NH+](C)C ZINC000602687774 349678730 /nfs/dbraw/zinc/67/87/30/349678730.db2.gz MBXGAOVRJYNGIC-LLVKDONJSA-N 2 2 211.353 1.856 20 30 BDEDLP C=C(CC)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000313498119 259336056 /nfs/dbraw/zinc/33/60/56/259336056.db2.gz LSJZNQQWFBSXHI-UHFFFAOYSA-N 2 2 222.336 1.542 20 30 BDEDLP C[C@H](C#N)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314383381 259345726 /nfs/dbraw/zinc/34/57/26/259345726.db2.gz QZVCHIIAEBSBET-LLVKDONJSA-N 2 2 220.320 1.444 20 30 BDEDLP C[C@H](C#N)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314383381 259345727 /nfs/dbraw/zinc/34/57/27/259345727.db2.gz QZVCHIIAEBSBET-LLVKDONJSA-N 2 2 220.320 1.444 20 30 BDEDLP C[NH+](C)Cc1ccc(C[NH2+]CCC#N)cc1F ZINC000576863367 365707635 /nfs/dbraw/zinc/70/76/35/365707635.db2.gz KXFPKBMUJDJYNW-UHFFFAOYSA-N 2 2 235.306 1.891 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449523337 259351395 /nfs/dbraw/zinc/35/13/95/259351395.db2.gz XNWQYYJYVYUBSV-WVWOOGAGSA-N 2 2 236.359 1.545 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449523337 259351397 /nfs/dbraw/zinc/35/13/97/259351397.db2.gz XNWQYYJYVYUBSV-WVWOOGAGSA-N 2 2 236.359 1.545 20 30 BDEDLP C[C@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1C ZINC000335842528 136354534 /nfs/dbraw/zinc/35/45/34/136354534.db2.gz RJOQRCOADUKBSI-RYUDHWBXSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1C ZINC000335842528 136354535 /nfs/dbraw/zinc/35/45/35/136354535.db2.gz RJOQRCOADUKBSI-RYUDHWBXSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842528 136354536 /nfs/dbraw/zinc/35/45/36/136354536.db2.gz RJOQRCOADUKBSI-RYUDHWBXSA-N 2 2 221.348 1.705 20 30 BDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1C ZINC000335842528 136354537 /nfs/dbraw/zinc/35/45/37/136354537.db2.gz RJOQRCOADUKBSI-RYUDHWBXSA-N 2 2 221.348 1.705 20 30 BDEDLP C[N@H+]1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000329376806 136365144 /nfs/dbraw/zinc/36/51/44/136365144.db2.gz LORUJXOHQAEFPF-UHFFFAOYSA-N 2 2 248.330 1.561 20 30 BDEDLP C[N@@H+]1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000329376806 136365145 /nfs/dbraw/zinc/36/51/45/136365145.db2.gz LORUJXOHQAEFPF-UHFFFAOYSA-N 2 2 248.330 1.561 20 30 BDEDLP C[N@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000329376806 136365146 /nfs/dbraw/zinc/36/51/46/136365146.db2.gz LORUJXOHQAEFPF-UHFFFAOYSA-N 2 2 248.330 1.561 20 30 BDEDLP C[N@@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000329376806 136365147 /nfs/dbraw/zinc/36/51/47/136365147.db2.gz LORUJXOHQAEFPF-UHFFFAOYSA-N 2 2 248.330 1.561 20 30 BDEDLP C=CC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000625702951 344047684 /nfs/dbraw/zinc/04/76/84/344047684.db2.gz ITYWUGANHMQVRJ-GFCCVEGCSA-N 2 2 205.305 1.781 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000625702951 344047685 /nfs/dbraw/zinc/04/76/85/344047685.db2.gz ITYWUGANHMQVRJ-GFCCVEGCSA-N 2 2 205.305 1.781 20 30 BDEDLP CC[N@H+](CC[NH3+])Cc1ccc(C)c(C#N)c1 ZINC000600719935 344362749 /nfs/dbraw/zinc/36/27/49/344362749.db2.gz MAUHZPPHLCYWBY-UHFFFAOYSA-N 2 2 217.316 1.647 20 30 BDEDLP CC[N@@H+](CC[NH3+])Cc1ccc(C)c(C#N)c1 ZINC000600719935 344362750 /nfs/dbraw/zinc/36/27/50/344362750.db2.gz MAUHZPPHLCYWBY-UHFFFAOYSA-N 2 2 217.316 1.647 20 30 BDEDLP CN(C(=[NH2+])NCCCNc1cccc[nH+]1)C1CC1 ZINC000181464587 347060730 /nfs/dbraw/zinc/06/07/30/347060730.db2.gz AJSNEEFXIBDYQV-UHFFFAOYSA-N 2 2 247.346 1.293 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000294947940 346324325 /nfs/dbraw/zinc/32/43/25/346324325.db2.gz IKBXSUGTHWCLJD-GFCCVEGCSA-N 2 2 249.333 1.826 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000294947940 346324327 /nfs/dbraw/zinc/32/43/27/346324327.db2.gz IKBXSUGTHWCLJD-GFCCVEGCSA-N 2 2 249.333 1.826 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000295026642 346345510 /nfs/dbraw/zinc/34/55/10/346345510.db2.gz ODRDXRKQEMGTKX-LBPRGKRZSA-N 2 2 249.333 1.826 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000295026642 346345512 /nfs/dbraw/zinc/34/55/12/346345512.db2.gz ODRDXRKQEMGTKX-LBPRGKRZSA-N 2 2 249.333 1.826 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000309567153 347103781 /nfs/dbraw/zinc/10/37/81/347103781.db2.gz LIOYYTHHTVZVAT-OLZOCXBDSA-N 2 2 221.348 1.754 20 30 BDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000591577131 347676596 /nfs/dbraw/zinc/67/65/96/347676596.db2.gz LQBYTVGVTAXTLC-DZGCQCFKSA-N 2 2 241.338 1.887 20 30 BDEDLP C[NH2+]CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591576850 347676773 /nfs/dbraw/zinc/67/67/73/347676773.db2.gz IGDGYVQUEHUGEA-CQSZACIVSA-N 2 2 229.327 1.745 20 30 BDEDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C#N)c1 ZINC000591577327 347677349 /nfs/dbraw/zinc/67/73/49/347677349.db2.gz QHUGFXRKACCPIB-NSHDSACASA-N 2 2 229.327 1.961 20 30 BDEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000595095077 348193570 /nfs/dbraw/zinc/19/35/70/348193570.db2.gz FFFXPBPERBUQPC-AVGNSLFASA-N 2 2 221.348 1.753 20 30 BDEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000595095077 348193573 /nfs/dbraw/zinc/19/35/73/348193573.db2.gz FFFXPBPERBUQPC-AVGNSLFASA-N 2 2 221.348 1.753 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841219 348376381 /nfs/dbraw/zinc/37/63/81/348376381.db2.gz TYJFXTQEEFTLQT-ZDUSSCGKSA-N 2 2 232.331 1.817 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841219 348376382 /nfs/dbraw/zinc/37/63/82/348376382.db2.gz TYJFXTQEEFTLQT-ZDUSSCGKSA-N 2 2 232.331 1.817 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)o1)CC1C[NH+](C)C1 ZINC000597203490 348677161 /nfs/dbraw/zinc/67/71/61/348677161.db2.gz RRZUPPVDSCBCAO-UHFFFAOYSA-N 2 2 219.288 1.145 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)o1)CC1C[NH+](C)C1 ZINC000597203490 348677163 /nfs/dbraw/zinc/67/71/63/348677163.db2.gz RRZUPPVDSCBCAO-UHFFFAOYSA-N 2 2 219.288 1.145 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)CC1C[NH+](C)C1 ZINC000597205914 348678238 /nfs/dbraw/zinc/67/82/38/348678238.db2.gz MRETUFAEHRVKTL-UHFFFAOYSA-N 2 2 247.317 1.691 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)CC1C[NH+](C)C1 ZINC000597205914 348678242 /nfs/dbraw/zinc/67/82/42/348678242.db2.gz MRETUFAEHRVKTL-UHFFFAOYSA-N 2 2 247.317 1.691 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000599086912 349090969 /nfs/dbraw/zinc/09/09/69/349090969.db2.gz BDLLVJFRCBJIMW-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000599086912 349090971 /nfs/dbraw/zinc/09/09/71/349090971.db2.gz BDLLVJFRCBJIMW-UPJWGTAASA-N 2 2 221.348 1.753 20 30 BDEDLP C=C(C)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336670312 350434585 /nfs/dbraw/zinc/43/45/85/350434585.db2.gz IVABNRZEVOXCBT-UHFFFAOYSA-N 2 2 220.320 1.103 20 30 BDEDLP C[C@H](CCC#N)[N@H+](C)CCCn1cc[nH+]c1 ZINC000276313028 351615500 /nfs/dbraw/zinc/61/55/00/351615500.db2.gz MUMFARIWOXKDMP-GFCCVEGCSA-N 2 2 220.320 1.897 20 30 BDEDLP C[C@H](CCC#N)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276313028 351615502 /nfs/dbraw/zinc/61/55/02/351615502.db2.gz MUMFARIWOXKDMP-GFCCVEGCSA-N 2 2 220.320 1.897 20 30 BDEDLP C[C@H]1C[NH+]=C(NCCCCNc2cccc[nH+]2)N1 ZINC000285070065 352019822 /nfs/dbraw/zinc/01/98/22/352019822.db2.gz MONGOOBKYFIKNE-NSHDSACASA-N 2 2 247.346 1.211 20 30 BDEDLP CC(C)[NH+]1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000054179025 187828868 /nfs/dbraw/zinc/82/88/68/187828868.db2.gz TYUUZUZDRMJTMN-LLVKDONJSA-N 2 2 209.337 1.608 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336752437 353083780 /nfs/dbraw/zinc/08/37/80/353083780.db2.gz GVYXOHZVIWJCSR-NWDGAFQWSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCCOCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336752437 353083783 /nfs/dbraw/zinc/08/37/83/353083783.db2.gz GVYXOHZVIWJCSR-NWDGAFQWSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129350219 353314222 /nfs/dbraw/zinc/31/42/22/353314222.db2.gz DQWBZWPQFKOZTJ-CYBMUJFWSA-N 2 2 224.348 1.217 20 30 BDEDLP C=CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129350219 353314225 /nfs/dbraw/zinc/31/42/25/353314225.db2.gz DQWBZWPQFKOZTJ-CYBMUJFWSA-N 2 2 224.348 1.217 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181099954 353419888 /nfs/dbraw/zinc/41/98/88/353419888.db2.gz LQFHPDBKDSLMFC-CYBMUJFWSA-N 2 2 237.347 1.532 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181099954 353419889 /nfs/dbraw/zinc/41/98/89/353419889.db2.gz LQFHPDBKDSLMFC-CYBMUJFWSA-N 2 2 237.347 1.532 20 30 BDEDLP C=CC[C@@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000184287895 353635856 /nfs/dbraw/zinc/63/58/56/353635856.db2.gz DJEGCVXIDWRFRG-LBPRGKRZSA-N 2 2 245.326 1.669 20 30 BDEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136082161 353610665 /nfs/dbraw/zinc/61/06/65/353610665.db2.gz HWUNJULYIRIXBL-RYUDHWBXSA-N 2 2 205.305 1.952 20 30 BDEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136082161 353610667 /nfs/dbraw/zinc/61/06/67/353610667.db2.gz HWUNJULYIRIXBL-RYUDHWBXSA-N 2 2 205.305 1.952 20 30 BDEDLP Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399069389 353826016 /nfs/dbraw/zinc/82/60/16/353826016.db2.gz NGBIGNNFGUEUHA-SKDRFNHKSA-N 2 2 230.315 1.435 20 30 BDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000135146959 181108522 /nfs/dbraw/zinc/10/85/22/181108522.db2.gz VHWFZCSZPJDVSE-NSHDSACASA-N 2 2 245.326 1.725 20 30 BDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000135146959 181108524 /nfs/dbraw/zinc/10/85/24/181108524.db2.gz VHWFZCSZPJDVSE-NSHDSACASA-N 2 2 245.326 1.725 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000346572787 354972839 /nfs/dbraw/zinc/97/28/39/354972839.db2.gz YIFNQQRAKYUCBM-GXTWGEPZSA-N 2 2 238.375 1.794 20 30 BDEDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1C#N ZINC000414886651 191616041 /nfs/dbraw/zinc/61/60/41/191616041.db2.gz QFBVZHOYVHPELC-GFCCVEGCSA-N 2 2 231.299 1.018 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncnc2)CC1 ZINC000106245024 355772133 /nfs/dbraw/zinc/77/21/33/355772133.db2.gz OEUYTTKOIYLUPU-UHFFFAOYSA-N 2 2 246.358 1.607 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000167402950 355991011 /nfs/dbraw/zinc/99/10/11/355991011.db2.gz WNPKRGOVUNDIGR-NWDGAFQWSA-N 2 2 226.364 1.650 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993395 358422713 /nfs/dbraw/zinc/42/27/13/358422713.db2.gz PMVPDHSIKYXPBA-ZDUSSCGKSA-N 2 2 244.342 1.337 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993395 358422717 /nfs/dbraw/zinc/42/27/17/358422717.db2.gz PMVPDHSIKYXPBA-ZDUSSCGKSA-N 2 2 244.342 1.337 20 30 BDEDLP CC#CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835668 359225897 /nfs/dbraw/zinc/22/58/97/359225897.db2.gz NOVDDCXHVCRQGY-CQSZACIVSA-N 2 2 220.360 1.818 20 30 BDEDLP CC#CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835668 359225901 /nfs/dbraw/zinc/22/59/01/359225901.db2.gz NOVDDCXHVCRQGY-CQSZACIVSA-N 2 2 220.360 1.818 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459732002 203344990 /nfs/dbraw/zinc/34/49/90/203344990.db2.gz OCDNSAFJVORWFX-MNOVXSKESA-N 2 2 209.337 1.466 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459732002 203344993 /nfs/dbraw/zinc/34/49/93/203344993.db2.gz OCDNSAFJVORWFX-MNOVXSKESA-N 2 2 209.337 1.466 20 30 BDEDLP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C#N ZINC000600710946 369561489 /nfs/dbraw/zinc/56/14/89/369561489.db2.gz QYQIGXRLKASXOL-BXUZGUMPSA-N 2 2 229.327 1.646 20 30 BDEDLP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C#N ZINC000600710946 369561496 /nfs/dbraw/zinc/56/14/96/369561496.db2.gz QYQIGXRLKASXOL-BXUZGUMPSA-N 2 2 229.327 1.646 20 30 BDEDLP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602509672 369798241 /nfs/dbraw/zinc/79/82/41/369798241.db2.gz HLRNYUZAWHWFPY-UHFFFAOYSA-N 2 2 246.358 1.773 20 30 BDEDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602509672 369798248 /nfs/dbraw/zinc/79/82/48/369798248.db2.gz HLRNYUZAWHWFPY-UHFFFAOYSA-N 2 2 246.358 1.773 20 30 BDEDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000603430100 369964293 /nfs/dbraw/zinc/96/42/93/369964293.db2.gz SCQPUDBFIHTZGL-STQMWFEESA-N 2 2 229.327 1.774 20 30 BDEDLP C#CC[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298534804 383913685 /nfs/dbraw/zinc/91/36/85/383913685.db2.gz SIRMTCLRTSSJFA-UHFFFAOYSA-N 2 2 203.289 1.060 20 30 BDEDLP C#CC[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298534804 383913690 /nfs/dbraw/zinc/91/36/90/383913690.db2.gz SIRMTCLRTSSJFA-UHFFFAOYSA-N 2 2 203.289 1.060 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2C)CC1 ZINC000106245155 384436071 /nfs/dbraw/zinc/43/60/71/384436071.db2.gz PXJSHWJJZLYZOH-UHFFFAOYSA-N 2 2 248.374 1.848 20 30 BDEDLP C#CC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000490900077 384477855 /nfs/dbraw/zinc/47/78/55/384477855.db2.gz SXBMUWYYIAFGPP-UHFFFAOYSA-N 2 2 215.300 1.145 20 30 BDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000236188906 385062587 /nfs/dbraw/zinc/06/25/87/385062587.db2.gz DXMLRWNHZSOWNV-ZDUSSCGKSA-N 2 2 215.300 1.400 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000172196714 385121143 /nfs/dbraw/zinc/12/11/43/385121143.db2.gz YKGYDBXOBACFDS-CYBMUJFWSA-N 2 2 243.354 1.942 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000172196714 385121148 /nfs/dbraw/zinc/12/11/48/385121148.db2.gz YKGYDBXOBACFDS-CYBMUJFWSA-N 2 2 243.354 1.942 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460949 386123460 /nfs/dbraw/zinc/12/34/60/386123460.db2.gz VIRLKAWDWBBJEY-CHWSQXEVSA-N 2 2 233.359 1.706 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460949 386123471 /nfs/dbraw/zinc/12/34/71/386123471.db2.gz VIRLKAWDWBBJEY-CHWSQXEVSA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460949 386123474 /nfs/dbraw/zinc/12/34/74/386123474.db2.gz VIRLKAWDWBBJEY-CHWSQXEVSA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460949 386123479 /nfs/dbraw/zinc/12/34/79/386123479.db2.gz VIRLKAWDWBBJEY-CHWSQXEVSA-N 2 2 233.359 1.706 20 30 BDEDLP Cc1cc(NCC[N@H+](C)C2CC2)c(C#N)c[nH+]1 ZINC000399386576 386783398 /nfs/dbraw/zinc/78/33/98/386783398.db2.gz QSHUKBCONYUWGR-UHFFFAOYSA-N 2 2 230.315 1.190 20 30 BDEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834987 386933806 /nfs/dbraw/zinc/93/38/06/386933806.db2.gz PTSCZRUPTUWMFD-BLYZHGLHSA-N 2 2 235.375 1.856 20 30 BDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834987 386933808 /nfs/dbraw/zinc/93/38/08/386933808.db2.gz PTSCZRUPTUWMFD-BLYZHGLHSA-N 2 2 235.375 1.856 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834985 386934839 /nfs/dbraw/zinc/93/48/39/386934839.db2.gz PTSCZRUPTUWMFD-ABXWRUBCSA-N 2 2 235.375 1.856 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335834985 386934843 /nfs/dbraw/zinc/93/48/43/386934843.db2.gz PTSCZRUPTUWMFD-ABXWRUBCSA-N 2 2 235.375 1.856 20 30 BDEDLP Cc1cc(N[C@@H](C)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000399569652 387019960 /nfs/dbraw/zinc/01/99/60/387019960.db2.gz IBYQQRJYCBYMHQ-JTQLQIEISA-N 2 2 218.304 1.046 20 30 BDEDLP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423315910 387157597 /nfs/dbraw/zinc/15/75/97/387157597.db2.gz XSWDHEJCLCJECI-NEPJUHHUSA-N 2 2 209.337 1.658 20 30 BDEDLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442854951 387851388 /nfs/dbraw/zinc/85/13/88/387851388.db2.gz PDPHMQGGYNTVFT-ZIAGYGMSSA-N 2 2 233.359 1.920 20 30 BDEDLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442854951 387851392 /nfs/dbraw/zinc/85/13/92/387851392.db2.gz PDPHMQGGYNTVFT-ZIAGYGMSSA-N 2 2 233.359 1.920 20 30 BDEDLP C=CCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423084760 387877945 /nfs/dbraw/zinc/87/79/45/387877945.db2.gz IUABLKXNKLNZEM-STQMWFEESA-N 2 2 224.348 1.309 20 30 BDEDLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1C#N ZINC000414822731 388666375 /nfs/dbraw/zinc/66/63/75/388666375.db2.gz FQGNJUWJSMBGIE-CYBMUJFWSA-N 2 2 245.326 1.408 20 30 BDEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C#N)c1 ZINC000423563076 388693894 /nfs/dbraw/zinc/69/38/94/388693894.db2.gz KOYQYXPQBWKRME-BXUZGUMPSA-N 2 2 245.326 1.197 20 30 BDEDLP Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000424407488 388697527 /nfs/dbraw/zinc/69/75/27/388697527.db2.gz BZOQWQPAAGXZAH-AAEUAGOBSA-N 2 2 244.342 1.613 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000125490330 388787402 /nfs/dbraw/zinc/78/74/02/388787402.db2.gz KLXPXFIKNVDVPM-NSHDSACASA-N 2 2 233.315 1.535 20 30 BDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000125490330 388787407 /nfs/dbraw/zinc/78/74/07/388787407.db2.gz KLXPXFIKNVDVPM-NSHDSACASA-N 2 2 233.315 1.535 20 30 BDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC#N ZINC000177338317 134299452 /nfs/dbraw/zinc/29/94/52/134299452.db2.gz ZDHJVLGZNDATSY-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC#N ZINC000177338317 134299453 /nfs/dbraw/zinc/29/94/53/134299453.db2.gz ZDHJVLGZNDATSY-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC#N ZINC000177338317 134299454 /nfs/dbraw/zinc/29/94/54/134299454.db2.gz ZDHJVLGZNDATSY-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC000177338317 134299455 /nfs/dbraw/zinc/29/94/55/134299455.db2.gz ZDHJVLGZNDATSY-OLZOCXBDSA-N 2 2 221.348 1.849 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000185709786 134392211 /nfs/dbraw/zinc/39/22/11/134392211.db2.gz NICMPVAEQUIKTI-QWHCGFSZSA-N 2 2 232.331 1.945 20 30 BDEDLP C=C(C)CNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000261974695 135113537 /nfs/dbraw/zinc/11/35/37/135113537.db2.gz FPGDMBUABUCQOG-UHFFFAOYSA-N 2 2 247.346 1.200 20 30 BDEDLP CC[C@H](C)NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262132641 135115712 /nfs/dbraw/zinc/11/57/12/135115712.db2.gz OGGPKJDDPRXEBN-JTQLQIEISA-N 2 2 249.362 1.422 20 30 BDEDLP CN1CC[NH+]=C1NC[C@H](c1ccccc1)[NH+](C)C ZINC000262625748 135119415 /nfs/dbraw/zinc/11/94/15/135119415.db2.gz DIYFRZDVEHMHDR-CYBMUJFWSA-N 2 2 246.358 1.180 20 30 BDEDLP CCCCNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269945625 135167891 /nfs/dbraw/zinc/16/78/91/135167891.db2.gz HOFIBDWGOTZWKP-UHFFFAOYSA-N 2 2 234.347 1.637 20 30 BDEDLP C[NH+]=C(NCCc1cc[nH+]cc1C)NC1CC1 ZINC000269921787 135168131 /nfs/dbraw/zinc/16/81/31/135168131.db2.gz APJHDYQEEOZGLT-UHFFFAOYSA-N 2 2 232.331 1.260 20 30 BDEDLP CC[C@@H](C)NC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269965619 135168270 /nfs/dbraw/zinc/16/82/70/135168270.db2.gz NGBPLHVEFYAULN-LLVKDONJSA-N 2 2 234.347 1.635 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CCC#N ZINC000270690787 135173252 /nfs/dbraw/zinc/17/32/52/135173252.db2.gz WDYMGZIBQPZZRT-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP Cc1[nH+]ccn1CCC[N@H+](C)CCC#N ZINC000270690787 135173254 /nfs/dbraw/zinc/17/32/54/135173254.db2.gz WDYMGZIBQPZZRT-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC#N)C1 ZINC000562991111 397803641 /nfs/dbraw/zinc/80/36/41/397803641.db2.gz KWKQFSOHNVLZEH-GFCCVEGCSA-N 2 2 209.337 1.468 20 30 BDEDLP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC#N)C1 ZINC000562991111 397803644 /nfs/dbraw/zinc/80/36/44/397803644.db2.gz KWKQFSOHNVLZEH-GFCCVEGCSA-N 2 2 209.337 1.468 20 30 BDEDLP C#CC[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000491640548 398052511 /nfs/dbraw/zinc/05/25/11/398052511.db2.gz YVAZZMTZEFOYHI-UHFFFAOYSA-N 2 2 220.360 1.960 20 30 BDEDLP C#CC[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000491640548 398052515 /nfs/dbraw/zinc/05/25/15/398052515.db2.gz YVAZZMTZEFOYHI-UHFFFAOYSA-N 2 2 220.360 1.960 20 30 BDEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268537444 166298286 /nfs/dbraw/zinc/29/82/86/166298286.db2.gz KACRJEMWFVXJID-CHWSQXEVSA-N 2 2 249.358 1.916 20 30 BDEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268537444 166298289 /nfs/dbraw/zinc/29/82/89/166298289.db2.gz KACRJEMWFVXJID-CHWSQXEVSA-N 2 2 249.358 1.916 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000268540963 166303650 /nfs/dbraw/zinc/30/36/50/166303650.db2.gz LAGRIDLKTARKFO-AWEZNQCLSA-N 2 2 249.358 1.847 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174362953 166353507 /nfs/dbraw/zinc/35/35/07/166353507.db2.gz MUHBNBUGCVOPSB-UHFFFAOYSA-N 2 2 245.326 1.891 20 30 BDEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343317013 411189765 /nfs/dbraw/zinc/18/97/65/411189765.db2.gz UKXVMGZOJKFAKH-AWEZNQCLSA-N 2 2 247.386 1.954 20 30 BDEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343317013 411189776 /nfs/dbraw/zinc/18/97/76/411189776.db2.gz UKXVMGZOJKFAKH-AWEZNQCLSA-N 2 2 247.386 1.954 20 30 BDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343317013 411189777 /nfs/dbraw/zinc/18/97/77/411189777.db2.gz UKXVMGZOJKFAKH-AWEZNQCLSA-N 2 2 247.386 1.954 20 30 BDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343317013 411189778 /nfs/dbraw/zinc/18/97/78/411189778.db2.gz UKXVMGZOJKFAKH-AWEZNQCLSA-N 2 2 247.386 1.954 20 30 BDEDLP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657426328 411504821 /nfs/dbraw/zinc/50/48/21/411504821.db2.gz AKTAKEXDBFMDFJ-NSHDSACASA-N 2 2 235.331 1.104 20 30 BDEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)C[NH2+]C ZINC000663506314 411688342 /nfs/dbraw/zinc/68/83/42/411688342.db2.gz BNQDKAGAVFBNIF-LBPRGKRZSA-N 2 2 234.343 1.949 20 30 BDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336753658 173032824 /nfs/dbraw/zinc/03/28/24/173032824.db2.gz GZMBWVPBSXUCHN-SDDRHHMPSA-N 2 2 207.321 1.362 20 30 BDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336753658 173032825 /nfs/dbraw/zinc/03/28/25/173032825.db2.gz GZMBWVPBSXUCHN-SDDRHHMPSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1[NH3+] ZINC000300049459 176304465 /nfs/dbraw/zinc/30/44/65/176304465.db2.gz RXBQZQTULKBFCX-ZWNOBZJWSA-N 2 2 215.300 1.337 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1[NH3+] ZINC000300049459 176304466 /nfs/dbraw/zinc/30/44/66/176304466.db2.gz RXBQZQTULKBFCX-ZWNOBZJWSA-N 2 2 215.300 1.337 20 30 BDEDLP Cc1cc(NCC2([NH+](C)C)CCC2)c(C#N)c[nH+]1 ZINC000399399739 267299999 /nfs/dbraw/zinc/29/99/99/267299999.db2.gz VZRPOUFUBPCQNA-UHFFFAOYSA-N 2 2 244.342 1.580 20 30 BDEDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000399488205 267301711 /nfs/dbraw/zinc/30/17/11/267301711.db2.gz HADLAGZJBBTQFS-GFCCVEGCSA-N 2 2 242.326 1.332 20 30 BDEDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C#N)c[nH+]1 ZINC000399488205 267301713 /nfs/dbraw/zinc/30/17/13/267301713.db2.gz HADLAGZJBBTQFS-GFCCVEGCSA-N 2 2 242.326 1.332 20 30 BDEDLP C#CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000490840169 323075591 /nfs/dbraw/zinc/07/55/91/323075591.db2.gz MIXYZIIQCLZVAD-UHFFFAOYSA-N 2 2 249.402 1.110 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000566107000 325995449 /nfs/dbraw/zinc/99/54/49/325995449.db2.gz CYOJDFWGOKFTMG-LBPRGKRZSA-N 2 2 246.358 1.646 20 30 BDEDLP C[C@@H](CC[NH2+]CCC#N)[NH+]1CCCCC1 ZINC000566132495 326001029 /nfs/dbraw/zinc/00/10/29/326001029.db2.gz SBDMUJFTPGUMBF-LBPRGKRZSA-N 2 2 209.337 1.754 20 30 BDEDLP C=CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000568587788 326366081 /nfs/dbraw/zinc/36/60/81/326366081.db2.gz KERLLAMAFNYLCT-LBPRGKRZSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000568587788 326366082 /nfs/dbraw/zinc/36/60/82/326366082.db2.gz KERLLAMAFNYLCT-LBPRGKRZSA-N 2 2 224.348 1.358 20 30 BDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC#CCOC ZINC000677820132 487516947 /nfs/dbraw/zinc/51/69/47/487516947.db2.gz HISZTQYREZQBDX-KGLIPLIRSA-N 2 2 236.359 1.195 20 30 BDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC#CCOC ZINC000677820132 487516948 /nfs/dbraw/zinc/51/69/48/487516948.db2.gz HISZTQYREZQBDX-KGLIPLIRSA-N 2 2 236.359 1.195 20 30 BDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC000677820132 487516953 /nfs/dbraw/zinc/51/69/53/487516953.db2.gz HISZTQYREZQBDX-KGLIPLIRSA-N 2 2 236.359 1.195 20 30 BDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC000677820132 487516957 /nfs/dbraw/zinc/51/69/57/487516957.db2.gz HISZTQYREZQBDX-KGLIPLIRSA-N 2 2 236.359 1.195 20 30 BDEDLP COCC#CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000677817747 490664477 /nfs/dbraw/zinc/66/44/77/490664477.db2.gz QJMPTOXABUZYFA-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP COCC#CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000677817747 490664478 /nfs/dbraw/zinc/66/44/78/490664478.db2.gz QJMPTOXABUZYFA-CQSZACIVSA-N 2 2 236.359 1.054 20 30 BDEDLP C=C(CC)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000358499325 534390623 /nfs/dbraw/zinc/39/06/23/534390623.db2.gz NCUZGXHKMFNIBR-UHFFFAOYSA-N 2 2 248.374 1.504 20 30 BDEDLP C=C[C@@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000352454441 534541150 /nfs/dbraw/zinc/54/11/50/534541150.db2.gz UABQWKSEDUHIEO-NSHDSACASA-N 2 2 231.299 1.279 20 30 BDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000854233034 588781187 /nfs/dbraw/zinc/78/11/87/588781187.db2.gz WRSZSPSLSFCGMR-CHWSQXEVSA-N 2 2 246.354 1.957 20 30 BDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3csc(C#N)c3)C[C@@H]2C1 ZINC000894082735 583295139 /nfs/dbraw/zinc/29/51/39/583295139.db2.gz HBBOQPGBVQRRJS-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3csc(C#N)c3)C[C@@H]2C1 ZINC000894082735 583295140 /nfs/dbraw/zinc/29/51/40/583295140.db2.gz HBBOQPGBVQRRJS-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3csc(C#N)c3)C[C@@H]2C1 ZINC000894082735 583295142 /nfs/dbraw/zinc/29/51/42/583295142.db2.gz HBBOQPGBVQRRJS-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3csc(C#N)c3)C[C@@H]2C1 ZINC000894082735 583295144 /nfs/dbraw/zinc/29/51/44/583295144.db2.gz HBBOQPGBVQRRJS-TXEJJXNPSA-N 2 2 247.367 1.613 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c(C)cc[nH+]c1N)C(C)C ZINC000894737579 583514829 /nfs/dbraw/zinc/51/48/29/583514829.db2.gz DKNXXEVYGKMQKQ-GFCCVEGCSA-N 2 2 217.316 1.720 20 30 BDEDLP C#CC[NH+]1CCC(Nc2nc[nH+]c(C)c2C)CC1 ZINC000895811795 583733214 /nfs/dbraw/zinc/73/32/14/583733214.db2.gz VUBCCTMKXDOION-UHFFFAOYSA-N 2 2 244.342 1.603 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000896554093 583812054 /nfs/dbraw/zinc/81/20/54/583812054.db2.gz GPIQSXCXSSGIDA-UTUOFQBUSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000896554093 583812056 /nfs/dbraw/zinc/81/20/56/583812056.db2.gz GPIQSXCXSSGIDA-UTUOFQBUSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000896556582 583812651 /nfs/dbraw/zinc/81/26/51/583812651.db2.gz YMRBGQQWNQGUKC-XVSSEFHLSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000896556582 583812653 /nfs/dbraw/zinc/81/26/53/583812653.db2.gz YMRBGQQWNQGUKC-XVSSEFHLSA-N 2 2 221.348 1.751 20 30 BDEDLP C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900010340 584265525 /nfs/dbraw/zinc/26/55/25/584265525.db2.gz QDCNCRMMMKFDBD-UWVGGRQHSA-N 2 2 236.319 1.850 20 30 BDEDLP N#Cc1csc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000902448012 584605154 /nfs/dbraw/zinc/60/51/54/584605154.db2.gz WRPYCNZWGJNOPN-NXEZZACHSA-N 2 2 248.355 1.374 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000903033533 584718657 /nfs/dbraw/zinc/71/86/57/584718657.db2.gz WRAFXLCGQFRRFN-OLZOCXBDSA-N 2 2 233.359 1.897 20 30 BDEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000903033533 584718658 /nfs/dbraw/zinc/71/86/58/584718658.db2.gz WRAFXLCGQFRRFN-OLZOCXBDSA-N 2 2 233.359 1.897 20 30 BDEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H]2CCC[C@H]21 ZINC000903105397 584728265 /nfs/dbraw/zinc/72/82/65/584728265.db2.gz CASJXEGMWNABJG-FRRDWIJNSA-N 2 2 233.359 1.753 20 30 BDEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H]2CCC[C@H]21 ZINC000903105397 584728266 /nfs/dbraw/zinc/72/82/66/584728266.db2.gz CASJXEGMWNABJG-FRRDWIJNSA-N 2 2 233.359 1.753 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@@H+]1C ZINC000903300069 584744187 /nfs/dbraw/zinc/74/41/87/584744187.db2.gz FPVZFUBOXXTXRU-YVECIDJPSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@H+]1C ZINC000903300069 584744188 /nfs/dbraw/zinc/74/41/88/584744188.db2.gz FPVZFUBOXXTXRU-YVECIDJPSA-N 2 2 221.348 1.751 20 30 BDEDLP CC1(C)C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000903560243 584782517 /nfs/dbraw/zinc/78/25/17/584782517.db2.gz ZBLDRNMJFUZQCM-CQSZACIVSA-N 2 2 243.354 1.770 20 30 BDEDLP CC1(C)C[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000903560243 584782518 /nfs/dbraw/zinc/78/25/18/584782518.db2.gz ZBLDRNMJFUZQCM-CQSZACIVSA-N 2 2 243.354 1.770 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818480 584803487 /nfs/dbraw/zinc/80/34/87/584803487.db2.gz NFGIXTIOCXVJQB-UHFFFAOYSA-N 2 2 244.766 1.583 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818480 584803488 /nfs/dbraw/zinc/80/34/88/584803488.db2.gz NFGIXTIOCXVJQB-UHFFFAOYSA-N 2 2 244.766 1.583 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903868277 584807731 /nfs/dbraw/zinc/80/77/31/584807731.db2.gz XRZXIIVTTOOZLD-HNNXBMFYSA-N 2 2 241.338 1.886 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903868277 584807732 /nfs/dbraw/zinc/80/77/32/584807732.db2.gz XRZXIIVTTOOZLD-HNNXBMFYSA-N 2 2 241.338 1.886 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027672 585569740 /nfs/dbraw/zinc/56/97/40/585569740.db2.gz WWOJDEUQUVLJLT-ZDUSSCGKSA-N 2 2 247.342 1.249 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027672 585569741 /nfs/dbraw/zinc/56/97/41/585569741.db2.gz WWOJDEUQUVLJLT-ZDUSSCGKSA-N 2 2 247.342 1.249 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000799717496 586193835 /nfs/dbraw/zinc/19/38/35/586193835.db2.gz HPCSJRSTZKBQEX-RQJABVFESA-N 2 2 249.358 1.131 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000799717496 586193838 /nfs/dbraw/zinc/19/38/38/586193838.db2.gz HPCSJRSTZKBQEX-RQJABVFESA-N 2 2 249.358 1.131 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000799717498 586194376 /nfs/dbraw/zinc/19/43/76/586194376.db2.gz HPCSJRSTZKBQEX-ZOBORPQBSA-N 2 2 249.358 1.131 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000799717498 586194377 /nfs/dbraw/zinc/19/43/77/586194377.db2.gz HPCSJRSTZKBQEX-ZOBORPQBSA-N 2 2 249.358 1.131 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000815651986 586690296 /nfs/dbraw/zinc/69/02/96/586690296.db2.gz LAJSNJGPOKJDGI-CYBMUJFWSA-N 2 2 248.374 1.334 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000815651986 586690298 /nfs/dbraw/zinc/69/02/98/586690298.db2.gz LAJSNJGPOKJDGI-CYBMUJFWSA-N 2 2 248.374 1.334 20 30 BDEDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817952145 586847535 /nfs/dbraw/zinc/84/75/35/586847535.db2.gz OCHBFJYFCGKTTF-GFCCVEGCSA-N 2 2 247.342 1.849 20 30 BDEDLP C=CCO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000835013805 587778000 /nfs/dbraw/zinc/77/80/00/587778000.db2.gz YLKVTRVGNYHNOZ-UHFFFAOYSA-N 2 2 205.261 1.684 20 30 BDEDLP C[C@H]1CC(=NNCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000848417671 588382577 /nfs/dbraw/zinc/38/25/77/588382577.db2.gz DJZUSAFKNONHFH-LBPRGKRZSA-N 2 2 249.362 1.333 20 30 BDEDLP C[C@H]1CC(=NNCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000848417671 588382579 /nfs/dbraw/zinc/38/25/79/588382579.db2.gz DJZUSAFKNONHFH-LBPRGKRZSA-N 2 2 249.362 1.333 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000850470665 588549109 /nfs/dbraw/zinc/54/91/09/588549109.db2.gz GTQOVCMBNHTNLM-ZDUSSCGKSA-N 2 2 246.358 1.263 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000850470665 588549110 /nfs/dbraw/zinc/54/91/10/588549110.db2.gz GTQOVCMBNHTNLM-ZDUSSCGKSA-N 2 2 246.358 1.263 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000851752532 588623550 /nfs/dbraw/zinc/62/35/50/588623550.db2.gz DFANVLANVCGJEC-ZDUSSCGKSA-N 2 2 233.315 1.170 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000851752532 588623551 /nfs/dbraw/zinc/62/35/51/588623551.db2.gz DFANVLANVCGJEC-ZDUSSCGKSA-N 2 2 233.315 1.170 20 30 BDEDLP C#CC[C@H](COC)[NH2+]CCCc1c[nH+]ccc1C ZINC000862550321 589220820 /nfs/dbraw/zinc/22/08/20/589220820.db2.gz LFLYFGOLJZGWRH-OAHLLOKOSA-N 2 2 246.354 1.951 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880132013 590934332 /nfs/dbraw/zinc/93/43/32/590934332.db2.gz DJHAPFBGZMROCA-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880132013 590934334 /nfs/dbraw/zinc/93/43/34/590934334.db2.gz DJHAPFBGZMROCA-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132013 590934337 /nfs/dbraw/zinc/93/43/37/590934337.db2.gz DJHAPFBGZMROCA-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132013 590934340 /nfs/dbraw/zinc/93/43/40/590934340.db2.gz DJHAPFBGZMROCA-BFHYXJOUSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140613 590939578 /nfs/dbraw/zinc/93/95/78/590939578.db2.gz CDQVWGFVQUXCKC-CHWSQXEVSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140613 590939581 /nfs/dbraw/zinc/93/95/81/590939581.db2.gz CDQVWGFVQUXCKC-CHWSQXEVSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140613 590939583 /nfs/dbraw/zinc/93/95/83/590939583.db2.gz CDQVWGFVQUXCKC-CHWSQXEVSA-N 2 2 224.348 1.358 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140613 590939584 /nfs/dbraw/zinc/93/95/84/590939584.db2.gz CDQVWGFVQUXCKC-CHWSQXEVSA-N 2 2 224.348 1.358 20 30 BDEDLP C=C(C)C[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000883399926 591646038 /nfs/dbraw/zinc/64/60/38/591646038.db2.gz YXMDWFWLEVISLP-NSHDSACASA-N 2 2 235.331 1.246 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1[nH]nc(C)c1C ZINC000886127493 592159229 /nfs/dbraw/zinc/15/92/29/592159229.db2.gz LQSNHMHSYILWPT-UHFFFAOYSA-N 2 2 234.347 1.071 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1[nH]nc(C)c1C ZINC000886127493 592159230 /nfs/dbraw/zinc/15/92/30/592159230.db2.gz LQSNHMHSYILWPT-UHFFFAOYSA-N 2 2 234.347 1.071 20 30 BDEDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335642582 631260991 /nfs/dbraw/zinc/26/09/91/631260991.db2.gz FVHAGKJZEQYYJM-RISCZKNCSA-N 2 2 229.327 1.788 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1occc1C ZINC000328100667 633236912 /nfs/dbraw/zinc/23/69/12/633236912.db2.gz LAXKPQYASFCMTK-UHFFFAOYSA-N 2 2 220.316 1.633 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1occc1C ZINC000328100667 633236916 /nfs/dbraw/zinc/23/69/16/633236916.db2.gz LAXKPQYASFCMTK-UHFFFAOYSA-N 2 2 220.316 1.633 20 30 BDEDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000925657942 634222530 /nfs/dbraw/zinc/22/25/30/634222530.db2.gz VOCNEPFNJWCIGB-JTQLQIEISA-N 2 2 207.321 1.410 20 30 BDEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)C(C)C ZINC000932387203 640515612 /nfs/dbraw/zinc/51/56/12/640515612.db2.gz BGDOIDUGYNPZBR-UHFFFAOYSA-N 2 2 205.305 1.617 20 30 BDEDLP C#CC[N@H+](CCCn1cc[nH+]c1)C(C)C ZINC000932387203 640515616 /nfs/dbraw/zinc/51/56/16/640515616.db2.gz BGDOIDUGYNPZBR-UHFFFAOYSA-N 2 2 205.305 1.617 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000847017949 645416929 /nfs/dbraw/zinc/41/69/29/645416929.db2.gz FZWXNBVHAHSCQZ-CYBMUJFWSA-N 2 2 231.343 1.698 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000847017949 645416940 /nfs/dbraw/zinc/41/69/40/645416940.db2.gz FZWXNBVHAHSCQZ-CYBMUJFWSA-N 2 2 231.343 1.698 20 30 BDEDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000925655346 646395255 /nfs/dbraw/zinc/39/52/55/646395255.db2.gz JWQRQQJNGAAEFS-QWRGUYRKSA-N 2 2 207.321 1.410 20 30 BDEDLP C=CCCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925672778 646402722 /nfs/dbraw/zinc/40/27/22/646402722.db2.gz YGJSBESXIXPODY-CYBMUJFWSA-N 2 2 226.364 1.701 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000925783371 646478727 /nfs/dbraw/zinc/47/87/27/646478727.db2.gz JYIBPHWHEWAJFS-DDHJBXDOSA-N 2 2 207.321 1.266 20 30 BDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000884612846 712648081 /nfs/dbraw/zinc/64/80/81/712648081.db2.gz VXABVXCZEFINAC-ZDUSSCGKSA-N 2 2 244.342 1.603 20 30 BDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000884612846 712648082 /nfs/dbraw/zinc/64/80/82/712648082.db2.gz VXABVXCZEFINAC-ZDUSSCGKSA-N 2 2 244.342 1.603 20 30 BDEDLP C=CCCCCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205347223 967564727 /nfs/dbraw/zinc/56/47/27/967564727.db2.gz KTGLQSZQPHOEIF-ZIAGYGMSSA-N 2 2 240.391 1.907 20 30 BDEDLP C=CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205347223 967564739 /nfs/dbraw/zinc/56/47/39/967564739.db2.gz KTGLQSZQPHOEIF-ZIAGYGMSSA-N 2 2 240.391 1.907 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(CC#N)CC2)O1 ZINC001235726418 979135211 /nfs/dbraw/zinc/13/52/11/979135211.db2.gz YCCHKRLNUWVMCA-LBPRGKRZSA-N 2 2 237.347 1.337 20 30 BDEDLP C[C@@H](CCCC#N)[NH2+]CCn1cc[nH+]c1 ZINC001172475857 974772235 /nfs/dbraw/zinc/77/22/35/974772235.db2.gz DDGJRJJBLFMTOS-NSHDSACASA-N 2 2 206.293 1.555 20 30 BDEDLP C=CC[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266296 970956119 /nfs/dbraw/zinc/95/61/19/970956119.db2.gz SFPFUUVXQNIUQY-UHFFFAOYSA-N 2 2 244.298 1.068 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[NH2+]1 ZINC001246091875 972146172 /nfs/dbraw/zinc/14/61/72/972146172.db2.gz LSXGHSFOOUBNBW-GHMZBOCLSA-N 2 2 207.321 1.410 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CC[NH2+]1 ZINC001246188359 972211511 /nfs/dbraw/zinc/21/15/11/972211511.db2.gz WIOOIYSPHQJWQL-RISCZKNCSA-N 2 2 229.327 1.788 20 30 BDEDLP N#Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236169597 966283720 /nfs/dbraw/zinc/28/37/20/966283720.db2.gz LHWWNNUNJBTSPP-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP N#Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236169597 966283738 /nfs/dbraw/zinc/28/37/38/966283738.db2.gz LHWWNNUNJBTSPP-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP N#Cc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001236170674 966291515 /nfs/dbraw/zinc/29/15/15/966291515.db2.gz YKXXBLKERFRKEJ-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP N#Cc1cccc(CCC[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001236170674 966291523 /nfs/dbraw/zinc/29/15/23/966291523.db2.gz YKXXBLKERFRKEJ-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP N#CCc1cc[nH+]c(N2CCC([NH3+])CC2)c1 ZINC001166664378 966355200 /nfs/dbraw/zinc/35/52/00/966355200.db2.gz NGPCMKUHJFXKAS-UHFFFAOYSA-N 2 2 216.288 1.075 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252597095 968857618 /nfs/dbraw/zinc/85/76/18/968857618.db2.gz WSVRZCYYUYXEEI-LBPRGKRZSA-N 2 2 249.358 1.446 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001252602338 968860454 /nfs/dbraw/zinc/86/04/54/968860454.db2.gz QGDKLIISRNOVMH-RDBSUJKOSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001252602338 968860458 /nfs/dbraw/zinc/86/04/58/968860458.db2.gz QGDKLIISRNOVMH-RDBSUJKOSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001252602338 968860462 /nfs/dbraw/zinc/86/04/62/968860462.db2.gz QGDKLIISRNOVMH-RDBSUJKOSA-N 2 2 238.375 1.340 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001252602338 968860465 /nfs/dbraw/zinc/86/04/65/968860465.db2.gz QGDKLIISRNOVMH-RDBSUJKOSA-N 2 2 238.375 1.340 20 30 BDEDLP C=C(C)CNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001155660847 969054675 /nfs/dbraw/zinc/05/46/75/969054675.db2.gz OZSDUEQPBIYVSS-UHFFFAOYSA-N 2 2 246.358 1.821 20 30 BDEDLP CC[NH+](CC)C[C@H](O)C[NH2+]CC#CC(C)(C)C ZINC001253213585 969111489 /nfs/dbraw/zinc/11/14/89/969111489.db2.gz NEIMOJKQJKFPSL-CYBMUJFWSA-N 2 2 240.391 1.328 20 30 BDEDLP C=CCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209163762 969364489 /nfs/dbraw/zinc/36/44/89/969364489.db2.gz KTKMSRUAOQTTMN-CHWSQXEVSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209163762 969364492 /nfs/dbraw/zinc/36/44/92/969364492.db2.gz KTKMSRUAOQTTMN-CHWSQXEVSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209163762 969364495 /nfs/dbraw/zinc/36/44/95/969364495.db2.gz KTKMSRUAOQTTMN-CHWSQXEVSA-N 2 2 208.349 1.979 20 30 BDEDLP C=CCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209163762 969364496 /nfs/dbraw/zinc/36/44/96/969364496.db2.gz KTKMSRUAOQTTMN-CHWSQXEVSA-N 2 2 208.349 1.979 20 30 BDEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C#N)co2)CC1 ZINC001254514882 969687860 /nfs/dbraw/zinc/68/78/60/969687860.db2.gz PMVKEFZQZSWYGW-GFCCVEGCSA-N 2 2 233.315 1.725 20 30 BDEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C#N)co2)CC1 ZINC001254514882 969687865 /nfs/dbraw/zinc/68/78/65/969687865.db2.gz PMVKEFZQZSWYGW-GFCCVEGCSA-N 2 2 233.315 1.725 20 30 BDEDLP N#CCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847393 969803610 /nfs/dbraw/zinc/80/36/10/969803610.db2.gz GNIUKGYSYGZVIV-GFCCVEGCSA-N 2 2 207.321 1.364 20 30 BDEDLP C#Cc1cc(Nc2cc[nH+]cc2OC)cc[nH+]1 ZINC001211258227 970205335 /nfs/dbraw/zinc/20/53/35/970205335.db2.gz ZTHXEOYSDRGWJO-UHFFFAOYSA-N 2 2 225.251 1.632 20 30 BDEDLP N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001327993002 972842446 /nfs/dbraw/zinc/84/24/46/972842446.db2.gz SZXSRMYHHACRLQ-QWRGUYRKSA-N 2 2 243.314 1.300 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1C[NH+](C)C1 ZINC001172301548 974512548 /nfs/dbraw/zinc/51/25/48/974512548.db2.gz QYFFGTAHJWFTIM-GFCCVEGCSA-N 2 2 243.354 1.640 20 30 BDEDLP N#Cc1cncc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206187006 975014565 /nfs/dbraw/zinc/01/45/65/975014565.db2.gz SOUJTWPTWLOBKS-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP N#Cc1cncc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206187006 975014571 /nfs/dbraw/zinc/01/45/71/975014571.db2.gz SOUJTWPTWLOBKS-OLZOCXBDSA-N 2 2 248.305 1.214 20 30 BDEDLP C#Cc1cc(Nc2ccc(C[NH3+])cc2)cc[nH+]1 ZINC001175965169 977833084 /nfs/dbraw/zinc/83/30/84/977833084.db2.gz SZWDYIZLZRTRCF-UHFFFAOYSA-N 2 2 223.279 1.687 20 30 BDEDLP C[C@@H](CCC#N)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176070903 977868114 /nfs/dbraw/zinc/86/81/14/977868114.db2.gz SGHRQGXUMSTPJA-RWMBFGLXSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@@H](CCC#N)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176070903 977868117 /nfs/dbraw/zinc/86/81/17/977868117.db2.gz SGHRQGXUMSTPJA-RWMBFGLXSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001176070903 977868122 /nfs/dbraw/zinc/86/81/22/977868122.db2.gz SGHRQGXUMSTPJA-RWMBFGLXSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001176070903 977868126 /nfs/dbraw/zinc/86/81/26/977868126.db2.gz SGHRQGXUMSTPJA-RWMBFGLXSA-N 2 2 221.348 1.847 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)O1 ZINC001235779170 979149444 /nfs/dbraw/zinc/14/94/44/979149444.db2.gz XQOYBAMANDAFMN-RYUDHWBXSA-N 2 2 237.347 1.337 20 30 BDEDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](CC#N)C2)O1 ZINC001235779170 979149446 /nfs/dbraw/zinc/14/94/46/979149446.db2.gz XQOYBAMANDAFMN-RYUDHWBXSA-N 2 2 237.347 1.337 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235990200 979273011 /nfs/dbraw/zinc/27/30/11/979273011.db2.gz LSBAFPDDQLGAKR-JSGCOSHPSA-N 2 2 243.310 1.187 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235990200 979273025 /nfs/dbraw/zinc/27/30/25/979273025.db2.gz LSBAFPDDQLGAKR-JSGCOSHPSA-N 2 2 243.310 1.187 20 30 BDEDLP C#Cc1cc(Nc2ccc3c[nH+]cn3c2)cc[nH+]1 ZINC001250323727 980764112 /nfs/dbraw/zinc/76/41/12/980764112.db2.gz JHDZKYDZSGZRGU-UHFFFAOYSA-N 2 2 234.262 1.876 20 30 BDEDLP CC(C)(C[NH3+])[NH2+]Cc1csc(C#N)c1 ZINC001575317795 984124962 /nfs/dbraw/zinc/12/49/62/984124962.db2.gz JLIJFUHHLAJUGF-UHFFFAOYSA-N 2 2 209.318 1.447 20 30 BDEDLP C=C[C@@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001253600513 986234299 /nfs/dbraw/zinc/23/42/99/986234299.db2.gz BIXHUSBEPVHZSQ-SNVBAGLBSA-N 2 2 241.360 1.088 20 30 BDEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001580077880 986514537 /nfs/dbraw/zinc/51/45/37/986514537.db2.gz CGVVGOQWIAPVPI-CYBMUJFWSA-N 2 2 245.326 1.360 20 30 BDEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001580077880 986514554 /nfs/dbraw/zinc/51/45/54/986514554.db2.gz CGVVGOQWIAPVPI-CYBMUJFWSA-N 2 2 245.326 1.360 20 30 BDEDLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C[NH2+]1 ZINC001246081382 987375184 /nfs/dbraw/zinc/37/51/84/987375184.db2.gz SEEDKLAPHZSLMB-USZNOCQGSA-N 2 2 207.321 1.409 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246089154 987393204 /nfs/dbraw/zinc/39/32/04/987393204.db2.gz ZJIYTFCHDBBSSX-AXFHLTTASA-N 2 2 200.301 1.631 20 30 BDEDLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH2+]C1 ZINC001246116230 987458512 /nfs/dbraw/zinc/45/85/12/987458512.db2.gz WFOFQZYNIAEHNV-FVCCEPFGSA-N 2 2 221.348 1.656 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246265688 987660428 /nfs/dbraw/zinc/66/04/28/987660428.db2.gz PWGDPPYKFRYUAV-DOMZBBRYSA-N 2 2 228.339 1.898 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246526311 987878133 /nfs/dbraw/zinc/87/81/33/987878133.db2.gz AMEXMZRMDZWYEE-WFASDCNBSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246526311 987878139 /nfs/dbraw/zinc/87/81/39/987878139.db2.gz AMEXMZRMDZWYEE-WFASDCNBSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526309 987879418 /nfs/dbraw/zinc/87/94/18/987879418.db2.gz AMEXMZRMDZWYEE-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526309 987879424 /nfs/dbraw/zinc/87/94/24/987879424.db2.gz AMEXMZRMDZWYEE-IUODEOHRSA-N 2 2 243.354 1.912 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246662001 988399442 /nfs/dbraw/zinc/39/94/42/988399442.db2.gz VAHSTGQBSCHCKN-NOOOWODRSA-N 2 2 205.305 1.102 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246662001 988399438 /nfs/dbraw/zinc/39/94/38/988399438.db2.gz VAHSTGQBSCHCKN-NOOOWODRSA-N 2 2 205.305 1.102 20 30 BDEDLP N#CCC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246799780 988480531 /nfs/dbraw/zinc/48/05/31/988480531.db2.gz BJCURGBULBNWJU-LBPRGKRZSA-N 2 2 207.321 1.364 20 30 BDEDLP C[C@@H]([NH3+])C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001326473876 989573078 /nfs/dbraw/zinc/57/30/78/989573078.db2.gz PPMBGKJTPBNYQL-LMWSTFAQSA-N 2 2 229.327 1.547 20 30 BDEDLP C=C(Cl)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574860890 992932674 /nfs/dbraw/zinc/93/26/74/992932674.db2.gz VBZDEQISGNHLSG-ZJUUUORDSA-N 2 2 200.713 1.280 20 30 BDEDLP C=C(Cl)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574860890 992932666 /nfs/dbraw/zinc/93/26/66/992932666.db2.gz VBZDEQISGNHLSG-ZJUUUORDSA-N 2 2 200.713 1.280 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001576608027 993362830 /nfs/dbraw/zinc/36/28/30/993362830.db2.gz MLLPMIZNPPSGAH-ZYHUDNBSSA-N 2 2 230.315 1.265 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001576608027 993362832 /nfs/dbraw/zinc/36/28/32/993362832.db2.gz MLLPMIZNPPSGAH-ZYHUDNBSSA-N 2 2 230.315 1.265 20 30 BDEDLP C=C(C)C[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000066594099 398266152 /nfs/dbraw/zinc/26/61/52/398266152.db2.gz IBQPNPYQNDGAOC-UHFFFAOYSA-N 2 2 234.347 1.540 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CC[NH+]1CCCC1 ZINC000602586653 349612462 /nfs/dbraw/zinc/61/24/62/349612462.db2.gz LSJFWGOMUUETQG-LBPRGKRZSA-N 2 2 209.337 1.612 20 30 BDEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000183836327 346859562 /nfs/dbraw/zinc/85/95/62/346859562.db2.gz QPWJOQCGRSDMFB-LLVKDONJSA-N 2 2 223.364 1.999 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000602595191 349644110 /nfs/dbraw/zinc/64/41/10/349644110.db2.gz XFEIACLGMZBPLS-STQMWFEESA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000602595191 349644112 /nfs/dbraw/zinc/64/41/12/349644112.db2.gz XFEIACLGMZBPLS-STQMWFEESA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@H](CCC#N)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000602657829 349662923 /nfs/dbraw/zinc/66/29/23/349662923.db2.gz SKPRMFBYHAAKLT-GFCCVEGCSA-N 2 2 221.348 1.706 20 30 BDEDLP C[C@H](CCC#N)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000602657829 349662924 /nfs/dbraw/zinc/66/29/24/349662924.db2.gz SKPRMFBYHAAKLT-GFCCVEGCSA-N 2 2 221.348 1.706 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1C ZINC000602698837 349695299 /nfs/dbraw/zinc/69/52/99/349695299.db2.gz ZPVBQNLSHNAQER-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1C ZINC000602698837 349695301 /nfs/dbraw/zinc/69/53/01/349695301.db2.gz ZPVBQNLSHNAQER-NEPJUHHUSA-N 2 2 221.348 1.753 20 30 BDEDLP C[C@@H](C#N)C[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000602802855 349742927 /nfs/dbraw/zinc/74/29/27/349742927.db2.gz WKWRJIAIQYHEHL-NSHDSACASA-N 2 2 232.331 1.587 20 30 BDEDLP C[C@@H](C#N)C[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000602802855 349742930 /nfs/dbraw/zinc/74/29/30/349742930.db2.gz WKWRJIAIQYHEHL-NSHDSACASA-N 2 2 232.331 1.587 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602794142 349735436 /nfs/dbraw/zinc/73/54/36/349735436.db2.gz GJJVJHZHYUMLIT-GFCCVEGCSA-N 2 2 244.342 1.903 20 30 BDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602794142 349735438 /nfs/dbraw/zinc/73/54/38/349735438.db2.gz GJJVJHZHYUMLIT-GFCCVEGCSA-N 2 2 244.342 1.903 20 30 BDEDLP C=CCOCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576834697 365699325 /nfs/dbraw/zinc/69/93/25/365699325.db2.gz PBAKNLOQPGNNRF-GFCCVEGCSA-N 2 2 235.331 1.412 20 30 BDEDLP C=CCOCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576834697 365699330 /nfs/dbraw/zinc/69/93/30/365699330.db2.gz PBAKNLOQPGNNRF-GFCCVEGCSA-N 2 2 235.331 1.412 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000349326197 136341847 /nfs/dbraw/zinc/34/18/47/136341847.db2.gz TVVFHYKZIVJVTC-XQHKEYJVSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000349326197 136341848 /nfs/dbraw/zinc/34/18/48/136341848.db2.gz TVVFHYKZIVJVTC-XQHKEYJVSA-N 2 2 233.359 1.893 20 30 BDEDLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C#N ZINC000602979108 349843165 /nfs/dbraw/zinc/84/31/65/349843165.db2.gz AATZLCWMAYDPIM-NWDGAFQWSA-N 2 2 218.304 1.507 20 30 BDEDLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C#N ZINC000602979108 349843168 /nfs/dbraw/zinc/84/31/68/349843168.db2.gz AATZLCWMAYDPIM-NWDGAFQWSA-N 2 2 218.304 1.507 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C#N ZINC000602979846 349844343 /nfs/dbraw/zinc/84/43/43/349844343.db2.gz IJZQOOITLSJBCP-OLZOCXBDSA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C#N ZINC000602979846 349844345 /nfs/dbraw/zinc/84/43/45/349844345.db2.gz IJZQOOITLSJBCP-OLZOCXBDSA-N 2 2 232.331 1.897 20 30 BDEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000600709634 344360666 /nfs/dbraw/zinc/36/06/66/344360666.db2.gz OQWMOEUUZITPAC-QNWHQSFQSA-N 2 2 221.348 1.799 20 30 BDEDLP CC[NH+](CC)[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000425211111 192083685 /nfs/dbraw/zinc/08/36/85/192083685.db2.gz WTZOQHGFVDILHQ-GFCCVEGCSA-N 2 2 246.358 1.826 20 30 BDEDLP C=CC[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997897 345203022 /nfs/dbraw/zinc/20/30/22/345203022.db2.gz VPGYMAVHNPIPKI-HIFPTAJRSA-N 2 2 206.333 1.636 20 30 BDEDLP C=CC[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997897 345203023 /nfs/dbraw/zinc/20/30/23/345203023.db2.gz VPGYMAVHNPIPKI-HIFPTAJRSA-N 2 2 206.333 1.636 20 30 BDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000107576608 345560582 /nfs/dbraw/zinc/56/05/82/345560582.db2.gz DDUXSTFOULVUDE-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000107576608 345560587 /nfs/dbraw/zinc/56/05/87/345560587.db2.gz DDUXSTFOULVUDE-BETUJISGSA-N 2 2 245.301 1.349 20 30 BDEDLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000596106321 348440942 /nfs/dbraw/zinc/44/09/42/348440942.db2.gz OHAGROMTSUDOIW-JTQLQIEISA-N 2 2 203.289 1.256 20 30 BDEDLP CN(C)c1[nH+]cc(C[NH2+]CC2(CC#N)CC2)n1C ZINC000419724017 192144489 /nfs/dbraw/zinc/14/44/89/192144489.db2.gz GTSQKCNDPZJPAK-UHFFFAOYSA-N 2 2 247.346 1.270 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000596655898 348599974 /nfs/dbraw/zinc/59/99/74/348599974.db2.gz ZHWIQVGDBOFDJE-ZJUUUORDSA-N 2 2 235.306 1.956 20 30 BDEDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000596652027 348605858 /nfs/dbraw/zinc/60/58/58/348605858.db2.gz FFDIVEWHXTYNMT-MNOVXSKESA-N 2 2 217.316 1.817 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)C#N ZINC000042461142 180250183 /nfs/dbraw/zinc/25/01/83/180250183.db2.gz WMAHYEBUEHLCAF-SNVBAGLBSA-N 2 2 206.293 1.283 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)C#N ZINC000042461142 180250185 /nfs/dbraw/zinc/25/01/85/180250185.db2.gz WMAHYEBUEHLCAF-SNVBAGLBSA-N 2 2 206.293 1.283 20 30 BDEDLP N#CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000346305426 365982396 /nfs/dbraw/zinc/98/23/96/365982396.db2.gz ICFGOEVDNAVSON-UHFFFAOYSA-N 2 2 204.277 1.119 20 30 BDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC(C)C ZINC000072625610 351325575 /nfs/dbraw/zinc/32/55/75/351325575.db2.gz GBMMEVIBDHZCKR-UHFFFAOYSA-N 2 2 249.362 1.293 20 30 BDEDLP C=CC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000272049457 166342117 /nfs/dbraw/zinc/34/21/17/166342117.db2.gz QDUBEFKBQBIZSY-UHFFFAOYSA-N 2 2 205.305 1.924 20 30 BDEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000272049457 166342119 /nfs/dbraw/zinc/34/21/19/166342119.db2.gz QDUBEFKBQBIZSY-UHFFFAOYSA-N 2 2 205.305 1.924 20 30 BDEDLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336745977 352736346 /nfs/dbraw/zinc/73/63/46/352736346.db2.gz AWHJNUUXJLBPCQ-GHMZBOCLSA-N 2 2 209.337 1.608 20 30 BDEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@H+](C)C1CC1 ZINC000336757908 353163521 /nfs/dbraw/zinc/16/35/21/353163521.db2.gz ZGFDGOCSRDRHMZ-WOPDTQHZSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000336757908 353163525 /nfs/dbraw/zinc/16/35/25/353163525.db2.gz ZGFDGOCSRDRHMZ-WOPDTQHZSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@H+](C)C1CC1 ZINC000336757906 353163705 /nfs/dbraw/zinc/16/37/05/353163705.db2.gz ZGFDGOCSRDRHMZ-IJLUTSLNSA-N 2 2 221.348 1.751 20 30 BDEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000336757906 353163707 /nfs/dbraw/zinc/16/37/07/353163707.db2.gz ZGFDGOCSRDRHMZ-IJLUTSLNSA-N 2 2 221.348 1.751 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000192839196 353569793 /nfs/dbraw/zinc/56/97/93/353569793.db2.gz KMIAGPGKWMNBAV-GFCCVEGCSA-N 2 2 248.374 1.721 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192839186 353569870 /nfs/dbraw/zinc/56/98/70/353569870.db2.gz KMIAGPGKWMNBAV-LBPRGKRZSA-N 2 2 248.374 1.721 20 30 BDEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343318594 353667137 /nfs/dbraw/zinc/66/71/37/353667137.db2.gz YJXIYXGJAHNZFB-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(C#N)CC2)C1 ZINC000343318594 353667139 /nfs/dbraw/zinc/66/71/39/353667139.db2.gz YJXIYXGJAHNZFB-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343318594 353667143 /nfs/dbraw/zinc/66/71/43/353667143.db2.gz YJXIYXGJAHNZFB-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343318594 353667145 /nfs/dbraw/zinc/66/71/45/353667145.db2.gz YJXIYXGJAHNZFB-GFCCVEGCSA-N 2 2 221.348 1.564 20 30 BDEDLP C=CCOCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293929378 353764468 /nfs/dbraw/zinc/76/44/68/353764468.db2.gz YPRXJJBEQUFITI-LBPRGKRZSA-N 2 2 235.331 1.792 20 30 BDEDLP C=CCOCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293929378 353764471 /nfs/dbraw/zinc/76/44/71/353764471.db2.gz YPRXJJBEQUFITI-LBPRGKRZSA-N 2 2 235.331 1.792 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1nccn1C ZINC000294884452 353792115 /nfs/dbraw/zinc/79/21/15/353792115.db2.gz DNYUMOMWNZPGIT-CYBMUJFWSA-N 2 2 248.374 1.416 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1nccn1C ZINC000294884452 353792118 /nfs/dbraw/zinc/79/21/18/353792118.db2.gz DNYUMOMWNZPGIT-CYBMUJFWSA-N 2 2 248.374 1.416 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000082642950 181103850 /nfs/dbraw/zinc/10/38/50/181103850.db2.gz JXNJGBZOTOHVGF-CYBMUJFWSA-N 2 2 215.300 1.481 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000082642950 181103851 /nfs/dbraw/zinc/10/38/51/181103851.db2.gz JXNJGBZOTOHVGF-CYBMUJFWSA-N 2 2 215.300 1.481 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000167749230 134153626 /nfs/dbraw/zinc/15/36/26/134153626.db2.gz CBQSRKSYXUCCGI-UWVGGRQHSA-N 2 2 218.728 1.096 20 30 BDEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769348 356708653 /nfs/dbraw/zinc/70/86/53/356708653.db2.gz XWZREXDQSYBWRP-ZIAGYGMSSA-N 2 2 238.375 1.177 20 30 BDEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769348 356708654 /nfs/dbraw/zinc/70/86/54/356708654.db2.gz XWZREXDQSYBWRP-ZIAGYGMSSA-N 2 2 238.375 1.177 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358279984 134187530 /nfs/dbraw/zinc/18/75/30/134187530.db2.gz ANTWQQBMSJGZEQ-TZMCWYRMSA-N 2 2 238.375 1.651 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358279984 134187531 /nfs/dbraw/zinc/18/75/31/134187531.db2.gz ANTWQQBMSJGZEQ-TZMCWYRMSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000192539445 357843451 /nfs/dbraw/zinc/84/34/51/357843451.db2.gz DROJXRHGRRFPNG-TZMCWYRMSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000192539430 357843601 /nfs/dbraw/zinc/84/36/01/357843601.db2.gz DROJXRHGRRFPNG-JSGCOSHPSA-N 2 2 238.375 1.651 20 30 BDEDLP CCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264109201 535423282 /nfs/dbraw/zinc/42/32/82/535423282.db2.gz OMHADAILNSUIQZ-UHFFFAOYSA-N 2 2 231.303 1.030 20 30 BDEDLP C[C@]1(C#N)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000612167290 359714994 /nfs/dbraw/zinc/71/49/94/359714994.db2.gz KQTQQUWHODXJRU-GFCCVEGCSA-N 2 2 218.304 1.509 20 30 BDEDLP C[C@]1(C#N)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000612167290 359714999 /nfs/dbraw/zinc/71/49/99/359714999.db2.gz KQTQQUWHODXJRU-GFCCVEGCSA-N 2 2 218.304 1.509 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000435739781 201285360 /nfs/dbraw/zinc/28/53/60/201285360.db2.gz HRGWEVWTONIMOE-CRWXNKLISA-N 2 2 238.375 1.507 20 30 BDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000435739781 201285363 /nfs/dbraw/zinc/28/53/63/201285363.db2.gz HRGWEVWTONIMOE-CRWXNKLISA-N 2 2 238.375 1.507 20 30 BDEDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(C#N)o1 ZINC000600769023 364026411 /nfs/dbraw/zinc/02/64/11/364026411.db2.gz JHHUGXUOZOEOPF-CYBMUJFWSA-N 2 2 235.331 1.956 20 30 BDEDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000600769023 364026414 /nfs/dbraw/zinc/02/64/14/364026414.db2.gz JHHUGXUOZOEOPF-CYBMUJFWSA-N 2 2 235.331 1.956 20 30 BDEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000581721578 367784721 /nfs/dbraw/zinc/78/47/21/367784721.db2.gz DJJJSTQQBUAXME-KBPBESRZSA-N 2 2 248.374 1.894 20 30 BDEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000581721578 367784725 /nfs/dbraw/zinc/78/47/25/367784725.db2.gz DJJJSTQQBUAXME-KBPBESRZSA-N 2 2 248.374 1.894 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000566412110 326040908 /nfs/dbraw/zinc/04/09/08/326040908.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000566412110 326040910 /nfs/dbraw/zinc/04/09/10/326040910.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000566412110 326040912 /nfs/dbraw/zinc/04/09/12/326040912.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000566412110 326040913 /nfs/dbraw/zinc/04/09/13/326040913.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 2 226.364 1.340 20 30 BDEDLP C=CC[N@H+](CCOC)CCc1c[nH+]cn1C ZINC000459428798 203276249 /nfs/dbraw/zinc/27/62/49/203276249.db2.gz WHRKYRWKRNHVDJ-UHFFFAOYSA-N 2 2 223.320 1.097 20 30 BDEDLP C=CC[N@@H+](CCOC)CCc1c[nH+]cn1C ZINC000459428798 203276251 /nfs/dbraw/zinc/27/62/51/203276251.db2.gz WHRKYRWKRNHVDJ-UHFFFAOYSA-N 2 2 223.320 1.097 20 30 BDEDLP C[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000405122287 369446474 /nfs/dbraw/zinc/44/64/74/369446474.db2.gz JHCNHMJGHOOXBU-UHFFFAOYSA-N 2 2 221.348 1.754 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459732005 203343842 /nfs/dbraw/zinc/34/38/42/203343842.db2.gz OCDNSAFJVORWFX-WDEREUQCSA-N 2 2 209.337 1.466 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459732005 203343846 /nfs/dbraw/zinc/34/38/46/203343846.db2.gz OCDNSAFJVORWFX-WDEREUQCSA-N 2 2 209.337 1.466 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769690 369562410 /nfs/dbraw/zinc/56/24/10/369562410.db2.gz YBGUUKAQQNUNST-SKDRFNHKSA-N 2 2 219.288 1.320 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769690 369562411 /nfs/dbraw/zinc/56/24/11/369562411.db2.gz YBGUUKAQQNUNST-SKDRFNHKSA-N 2 2 219.288 1.320 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000601330774 369619866 /nfs/dbraw/zinc/61/98/66/369619866.db2.gz XCKXWTBELJAFPA-GWCFXTLKSA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000601330774 369619872 /nfs/dbraw/zinc/61/98/72/369619872.db2.gz XCKXWTBELJAFPA-GWCFXTLKSA-N 2 2 215.300 1.480 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000601995580 369731704 /nfs/dbraw/zinc/73/17/04/369731704.db2.gz FOEFYMUAFXVKKA-UHFFFAOYSA-N 2 2 247.317 1.881 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1C ZINC000602563413 369813993 /nfs/dbraw/zinc/81/39/93/369813993.db2.gz ZQYARHGKABBECG-NEPJUHHUSA-N 2 2 244.342 1.526 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1C ZINC000602563413 369813997 /nfs/dbraw/zinc/81/39/97/369813997.db2.gz ZQYARHGKABBECG-NEPJUHHUSA-N 2 2 244.342 1.526 20 30 BDEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623838417 371121793 /nfs/dbraw/zinc/12/17/93/371121793.db2.gz UKPKCRFRSHBJSK-MCIONIFRSA-N 2 2 238.375 1.387 20 30 BDEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623838417 371121798 /nfs/dbraw/zinc/12/17/98/371121798.db2.gz UKPKCRFRSHBJSK-MCIONIFRSA-N 2 2 238.375 1.387 20 30 BDEDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174299599 169208106 /nfs/dbraw/zinc/20/81/06/169208106.db2.gz IBKUKIMOERPKLJ-GFCCVEGCSA-N 2 2 247.342 1.973 20 30 BDEDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174299599 169208108 /nfs/dbraw/zinc/20/81/08/169208108.db2.gz IBKUKIMOERPKLJ-GFCCVEGCSA-N 2 2 247.342 1.973 20 30 BDEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024878 384010770 /nfs/dbraw/zinc/01/07/70/384010770.db2.gz HNRTTWVAKMXTKH-QMTHXVAHSA-N 2 2 247.317 1.785 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335063299 384011273 /nfs/dbraw/zinc/01/12/73/384011273.db2.gz NVECKPXERQIFQA-HIFRSBDPSA-N 2 2 241.338 1.887 20 30 BDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)o1)C[NH+]1CCCC1 ZINC000135152668 384065678 /nfs/dbraw/zinc/06/56/78/384065678.db2.gz IAAYMDBXGARPER-LBPRGKRZSA-N 2 2 247.342 1.973 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373098812 533050390 /nfs/dbraw/zinc/05/03/90/533050390.db2.gz KZIHVNJXMKTZED-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373098812 533050396 /nfs/dbraw/zinc/05/03/96/533050396.db2.gz KZIHVNJXMKTZED-LBPRGKRZSA-N 2 2 217.316 1.623 20 30 BDEDLP C=C(CC)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000313497317 384428829 /nfs/dbraw/zinc/42/88/29/384428829.db2.gz KAELQURLDGVGRQ-RYUDHWBXSA-N 2 2 212.337 1.309 20 30 BDEDLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)c(F)c1 ZINC000423432508 384561618 /nfs/dbraw/zinc/56/16/18/384561618.db2.gz MKUCPZSUIFZAAA-HDRXNWCYSA-N 2 2 245.301 1.566 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000363473182 384609889 /nfs/dbraw/zinc/60/98/89/384609889.db2.gz ZAIVMDXTDWMPQH-ZDUSSCGKSA-N 2 2 231.343 1.698 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000363473182 384609894 /nfs/dbraw/zinc/60/98/94/384609894.db2.gz ZAIVMDXTDWMPQH-ZDUSSCGKSA-N 2 2 231.343 1.698 20 30 BDEDLP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000054179022 385597604 /nfs/dbraw/zinc/59/76/04/385597604.db2.gz TYUUZUZDRMJTMN-NSHDSACASA-N 2 2 209.337 1.608 20 30 BDEDLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)C#N ZINC000595821634 385639207 /nfs/dbraw/zinc/63/92/07/385639207.db2.gz YCJRIUVLJFUKCQ-LLVKDONJSA-N 2 2 206.293 1.507 20 30 BDEDLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)C#N ZINC000595821634 385639211 /nfs/dbraw/zinc/63/92/11/385639211.db2.gz YCJRIUVLJFUKCQ-LLVKDONJSA-N 2 2 206.293 1.507 20 30 BDEDLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185807267 385739238 /nfs/dbraw/zinc/73/92/38/385739238.db2.gz BSHNZATWNJYOGR-STQMWFEESA-N 2 2 223.364 1.999 20 30 BDEDLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185807267 385739242 /nfs/dbraw/zinc/73/92/42/385739242.db2.gz BSHNZATWNJYOGR-STQMWFEESA-N 2 2 223.364 1.999 20 30 BDEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)C[NH3+] ZINC000414949688 385814293 /nfs/dbraw/zinc/81/42/93/385814293.db2.gz GLIXILYYOHZLDC-NSHDSACASA-N 2 2 220.316 1.688 20 30 BDEDLP C=CC[N@@H+](CCC[NH3+])Cc1cccc([N+](=O)[O-])c1 ZINC000414684112 386167690 /nfs/dbraw/zinc/16/76/90/386167690.db2.gz CPJRQKPGDYKVQF-UHFFFAOYSA-N 2 2 249.314 1.932 20 30 BDEDLP C=CC[N@H+](CCC[NH3+])Cc1cccc([N+](=O)[O-])c1 ZINC000414684112 386167692 /nfs/dbraw/zinc/16/76/92/386167692.db2.gz CPJRQKPGDYKVQF-UHFFFAOYSA-N 2 2 249.314 1.932 20 30 BDEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000336774158 386347904 /nfs/dbraw/zinc/34/79/04/386347904.db2.gz ZHTDBXUWIMDIKF-GRYCIOLGSA-N 2 2 209.337 1.608 20 30 BDEDLP O=C(NCC[NH+]1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328650331 386602693 /nfs/dbraw/zinc/60/26/93/386602693.db2.gz JDBRRXGHMRAHMX-NSHDSACASA-N 2 2 248.330 1.108 20 30 BDEDLP Cc1cc(NC[C@H]2CCC[N@H+]2C)c(C#N)c[nH+]1 ZINC000399352096 386691899 /nfs/dbraw/zinc/69/18/99/386691899.db2.gz DRCWRZUCOKGHOJ-GFCCVEGCSA-N 2 2 230.315 1.190 20 30 BDEDLP Cc1cc(NC[C@H]2CCC[N@@H+]2C)c(C#N)c[nH+]1 ZINC000399352096 386691905 /nfs/dbraw/zinc/69/19/05/386691905.db2.gz DRCWRZUCOKGHOJ-GFCCVEGCSA-N 2 2 230.315 1.190 20 30 BDEDLP C=CC[NH+](CC=C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647958147 386702655 /nfs/dbraw/zinc/70/26/55/386702655.db2.gz AXZZQZJRELOTEZ-ZDUSSCGKSA-N 2 2 226.364 1.362 20 30 BDEDLP C=CC[NH+](CC=C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647958147 386702659 /nfs/dbraw/zinc/70/26/59/386702659.db2.gz AXZZQZJRELOTEZ-ZDUSSCGKSA-N 2 2 226.364 1.362 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422983486 387793682 /nfs/dbraw/zinc/79/36/82/387793682.db2.gz ZRPVBJJKPPROGP-CHWSQXEVSA-N 3 2 239.407 1.742 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423017184 387841345 /nfs/dbraw/zinc/84/13/45/387841345.db2.gz VSWLMEJNWVNUOG-RYUDHWBXSA-N 2 2 212.337 1.167 20 30 BDEDLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442854949 387851735 /nfs/dbraw/zinc/85/17/35/387851735.db2.gz PDPHMQGGYNTVFT-UONOGXRCSA-N 2 2 233.359 1.920 20 30 BDEDLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442854949 387851741 /nfs/dbraw/zinc/85/17/41/387851741.db2.gz PDPHMQGGYNTVFT-UONOGXRCSA-N 2 2 233.359 1.920 20 30 BDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423197581 387984296 /nfs/dbraw/zinc/98/42/96/387984296.db2.gz ZXPCWVIAQRIEKS-IJLUTSLNSA-N 2 2 207.321 1.410 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000451610803 388284028 /nfs/dbraw/zinc/28/40/28/388284028.db2.gz ZWGSFDMVBJQLCF-OLZOCXBDSA-N 2 2 224.348 1.405 20 30 BDEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000309999170 388472310 /nfs/dbraw/zinc/47/23/10/388472310.db2.gz DEGUHRNPDAEVEQ-GFCCVEGCSA-N 2 2 224.348 1.099 20 30 BDEDLP C=CC[N@@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000573106546 388419696 /nfs/dbraw/zinc/41/96/96/388419696.db2.gz VBESUQPGYGZCPB-UHFFFAOYSA-N 2 2 232.331 1.754 20 30 BDEDLP C=CC[N@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000573106546 388419698 /nfs/dbraw/zinc/41/96/98/388419698.db2.gz VBESUQPGYGZCPB-UHFFFAOYSA-N 2 2 232.331 1.754 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253577 388733942 /nfs/dbraw/zinc/73/39/42/388733942.db2.gz VHPCDXONNVSDBX-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253577 388733944 /nfs/dbraw/zinc/73/39/44/388733944.db2.gz VHPCDXONNVSDBX-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP C[NH+](Cc1ccc(C#N)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253577 388733946 /nfs/dbraw/zinc/73/39/46/388733946.db2.gz VHPCDXONNVSDBX-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP C[NH+](Cc1ccc(C#N)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253577 388733950 /nfs/dbraw/zinc/73/39/50/388733950.db2.gz VHPCDXONNVSDBX-GFCCVEGCSA-N 2 2 247.342 1.925 20 30 BDEDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423228214 388689226 /nfs/dbraw/zinc/68/92/26/388689226.db2.gz YTSAZRNRSJQVJS-VIFPVBQESA-N 2 2 221.279 1.567 20 30 BDEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC000194538773 388815672 /nfs/dbraw/zinc/81/56/72/388815672.db2.gz SDSMPTOFALOWKK-PHIMTYICSA-N 2 2 247.367 1.613 20 30 BDEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC000194538773 388815676 /nfs/dbraw/zinc/81/56/76/388815676.db2.gz SDSMPTOFALOWKK-PHIMTYICSA-N 2 2 247.367 1.613 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC000194538773 388815679 /nfs/dbraw/zinc/81/56/79/388815679.db2.gz SDSMPTOFALOWKK-PHIMTYICSA-N 2 2 247.367 1.613 20 30 BDEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC000194538773 388815684 /nfs/dbraw/zinc/81/56/84/388815684.db2.gz SDSMPTOFALOWKK-PHIMTYICSA-N 2 2 247.367 1.613 20 30 BDEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCC[NH2+]1 ZINC000400470477 533454107 /nfs/dbraw/zinc/45/41/07/533454107.db2.gz XRCLEHQQJQEWFP-BXUZGUMPSA-N 2 2 229.327 1.788 20 30 BDEDLP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000333345809 132309784 /nfs/dbraw/zinc/30/97/84/132309784.db2.gz ZFQQUDCHHXVMGW-YPMHNXCESA-N 2 2 242.326 1.450 20 30 BDEDLP C=CC[NH+]1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000301234770 134156620 /nfs/dbraw/zinc/15/66/20/134156620.db2.gz LDEDWJSPLVJEFA-UHFFFAOYSA-N 2 2 232.331 1.847 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000358172684 134187103 /nfs/dbraw/zinc/18/71/03/134187103.db2.gz TWVCZMCDJGNZPK-UHFFFAOYSA-N 2 2 246.358 1.525 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251352698 135069163 /nfs/dbraw/zinc/06/91/63/135069163.db2.gz NCFSERUAEWNKDS-AGIUHOORSA-N 2 2 221.348 1.895 20 30 BDEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251352698 135069164 /nfs/dbraw/zinc/06/91/64/135069164.db2.gz NCFSERUAEWNKDS-AGIUHOORSA-N 2 2 221.348 1.895 20 30 BDEDLP CN1CC[NH+]=C1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000262625749 135119615 /nfs/dbraw/zinc/11/96/15/135119615.db2.gz DIYFRZDVEHMHDR-ZDUSSCGKSA-N 2 2 246.358 1.180 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000293580428 135376799 /nfs/dbraw/zinc/37/67/99/135376799.db2.gz AOQIDEUNOYIQKZ-QWHCGFSZSA-N 2 2 246.358 1.434 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000293580428 135376800 /nfs/dbraw/zinc/37/68/00/135376800.db2.gz AOQIDEUNOYIQKZ-QWHCGFSZSA-N 2 2 246.358 1.434 20 30 BDEDLP C=C(C)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653729020 411271710 /nfs/dbraw/zinc/27/17/10/411271710.db2.gz WXHNGRMRLLDVGY-UHFFFAOYSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000660169445 411277761 /nfs/dbraw/zinc/27/77/61/411277761.db2.gz ICFLPNPKHUYDMB-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000660169445 411277764 /nfs/dbraw/zinc/27/77/64/411277764.db2.gz ICFLPNPKHUYDMB-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000660169445 411277767 /nfs/dbraw/zinc/27/77/67/411277767.db2.gz ICFLPNPKHUYDMB-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000660169445 411277771 /nfs/dbraw/zinc/27/77/71/411277771.db2.gz ICFLPNPKHUYDMB-ZDUSSCGKSA-N 2 2 226.364 1.338 20 30 BDEDLP C=CCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454516 411514910 /nfs/dbraw/zinc/51/49/10/411514910.db2.gz LVAFXFSDUCSUPS-UHFFFAOYSA-N 2 2 205.305 1.885 20 30 BDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657495019 411534852 /nfs/dbraw/zinc/53/48/52/411534852.db2.gz FCVMJGBWDIJJJO-AAEUAGOBSA-N 2 2 247.342 1.510 20 30 BDEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000328524249 170021081 /nfs/dbraw/zinc/02/10/81/170021081.db2.gz STFXRGUYUAMVBK-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000328524249 170021082 /nfs/dbraw/zinc/02/10/82/170021082.db2.gz STFXRGUYUAMVBK-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP C=CCOc1cccc(C[NH2+][C@H](C)C[NH2+]C)c1 ZINC000663506749 411690838 /nfs/dbraw/zinc/69/08/38/411690838.db2.gz HZSGFDQNMFNCDJ-GFCCVEGCSA-N 2 2 234.343 1.949 20 30 BDEDLP C=CC[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CCC[NH2+]1 ZINC000662413077 412156769 /nfs/dbraw/zinc/15/67/69/412156769.db2.gz WIRBHMXYAFCZJH-CYBMUJFWSA-N 2 2 246.314 1.301 20 30 BDEDLP COCC#CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671725019 487706747 /nfs/dbraw/zinc/70/67/47/487706747.db2.gz IABQSEWXNDEHDK-PBWFPOADSA-N 2 2 236.359 1.193 20 30 BDEDLP COCC#CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671725019 487706755 /nfs/dbraw/zinc/70/67/55/487706755.db2.gz IABQSEWXNDEHDK-PBWFPOADSA-N 2 2 236.359 1.193 20 30 BDEDLP COCC#CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000671725019 487706760 /nfs/dbraw/zinc/70/67/60/487706760.db2.gz IABQSEWXNDEHDK-PBWFPOADSA-N 2 2 236.359 1.193 20 30 BDEDLP COCC#CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000671725019 487706764 /nfs/dbraw/zinc/70/67/64/487706764.db2.gz IABQSEWXNDEHDK-PBWFPOADSA-N 2 2 236.359 1.193 20 30 BDEDLP Cc1cc(NCC[NH+]2CCCC2)c(C#N)c[nH+]1 ZINC000399348732 267300509 /nfs/dbraw/zinc/30/05/09/267300509.db2.gz CLTLXOGBXCDLHM-UHFFFAOYSA-N 2 2 230.315 1.191 20 30 BDEDLP N#Cc1ccc(C2([NH2+]CC[NH3+])CCOCC2)cc1 ZINC000530235422 268211163 /nfs/dbraw/zinc/21/11/63/268211163.db2.gz XJLONEDPLLNAKW-UHFFFAOYSA-N 2 2 245.326 1.112 20 30 BDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000571288375 323140403 /nfs/dbraw/zinc/14/04/03/323140403.db2.gz ZSLFIBHEBKXFIM-AWEZNQCLSA-N 2 2 245.326 1.026 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nccn1C ZINC000328211184 324240408 /nfs/dbraw/zinc/24/04/08/324240408.db2.gz WMRUJMBLYWWDJW-LBPRGKRZSA-N 2 2 234.347 1.026 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000566412108 326041121 /nfs/dbraw/zinc/04/11/21/326041121.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000566412108 326041124 /nfs/dbraw/zinc/04/11/24/326041124.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000566412108 326041126 /nfs/dbraw/zinc/04/11/26/326041126.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000566412108 326041128 /nfs/dbraw/zinc/04/11/28/326041128.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000566499588 326059032 /nfs/dbraw/zinc/05/90/32/326059032.db2.gz YULNVOFJEVQICT-OLZOCXBDSA-N 2 2 235.331 1.552 20 30 BDEDLP COCC#CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228001 488135146 /nfs/dbraw/zinc/13/51/46/488135146.db2.gz LSWOWPDYGOTZJR-ZDUSSCGKSA-N 2 2 224.348 1.052 20 30 BDEDLP COCC#CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228001 488135151 /nfs/dbraw/zinc/13/51/51/488135151.db2.gz LSWOWPDYGOTZJR-ZDUSSCGKSA-N 2 2 224.348 1.052 20 30 BDEDLP N#Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335486049 490305047 /nfs/dbraw/zinc/30/50/47/490305047.db2.gz FUCWWDBTYOBEQF-UHFFFAOYSA-N 2 2 241.338 1.886 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309085682 533736081 /nfs/dbraw/zinc/73/60/81/533736081.db2.gz XCXCIPFKKZVKJK-TUAOUCFPSA-N 2 2 209.337 1.608 20 30 BDEDLP C=CCCC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000377724391 534718073 /nfs/dbraw/zinc/71/80/73/534718073.db2.gz IGUNBPQITSBGQC-LBPRGKRZSA-N 2 2 212.337 1.215 20 30 BDEDLP C=CCCC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000377724391 534718089 /nfs/dbraw/zinc/71/80/89/534718089.db2.gz IGUNBPQITSBGQC-LBPRGKRZSA-N 2 2 212.337 1.215 20 30 BDEDLP C#CCC[N@@H+](CCOC)Cc1c(C)cc[nH+]c1N ZINC000895351794 583656585 /nfs/dbraw/zinc/65/65/85/583656585.db2.gz WYRZLLDXHGYHCI-UHFFFAOYSA-N 2 2 247.342 1.444 20 30 BDEDLP C#CCC[N@H+](CCOC)Cc1c(C)cc[nH+]c1N ZINC000895351794 583656586 /nfs/dbraw/zinc/65/65/86/583656586.db2.gz WYRZLLDXHGYHCI-UHFFFAOYSA-N 2 2 247.342 1.444 20 30 BDEDLP C#CCC1(O)CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000895671153 583706086 /nfs/dbraw/zinc/70/60/86/583706086.db2.gz RCAFLSZZOHPNML-UHFFFAOYSA-N 2 2 247.342 1.079 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc[nH+]c(CC)n2)CC1 ZINC000895810775 583730171 /nfs/dbraw/zinc/73/01/71/583730171.db2.gz KBZXRAZEBBJPMY-UHFFFAOYSA-N 2 2 244.342 1.549 20 30 BDEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902466829 584614565 /nfs/dbraw/zinc/61/45/65/584614565.db2.gz NJGMFHIAXXGRLB-CKIKVBCHSA-N 2 2 219.332 1.551 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903868288 584807710 /nfs/dbraw/zinc/80/77/10/584807710.db2.gz XRZXIIVTTOOZLD-OAHLLOKOSA-N 2 2 241.338 1.886 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903868288 584807712 /nfs/dbraw/zinc/80/77/12/584807712.db2.gz XRZXIIVTTOOZLD-OAHLLOKOSA-N 2 2 241.338 1.886 20 30 BDEDLP C[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000741386905 585113268 /nfs/dbraw/zinc/11/32/68/585113268.db2.gz NIKMBDSEWUTMDS-UONOGXRCSA-N 2 2 248.374 1.704 20 30 BDEDLP C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000741386905 585113269 /nfs/dbraw/zinc/11/32/69/585113269.db2.gz NIKMBDSEWUTMDS-UONOGXRCSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@H](C#N)CCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000741386905 585113270 /nfs/dbraw/zinc/11/32/70/585113270.db2.gz NIKMBDSEWUTMDS-UONOGXRCSA-N 2 2 248.374 1.704 20 30 BDEDLP C[NH+](C[C@H](C#N)CCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741386905 585113271 /nfs/dbraw/zinc/11/32/71/585113271.db2.gz NIKMBDSEWUTMDS-UONOGXRCSA-N 2 2 248.374 1.704 20 30 BDEDLP C=C(C[NH+](C)C)C(=O)Nc1c[nH+]ccc1OC ZINC000764461486 585466025 /nfs/dbraw/zinc/46/60/25/585466025.db2.gz OMNCQQPEQMAQLS-UHFFFAOYSA-N 2 2 235.287 1.147 20 30 BDEDLP CC(=NNc1cc[nH+]cc1)c1cn(C)c(C)[nH+]1 ZINC000800815621 586231953 /nfs/dbraw/zinc/23/19/53/586231953.db2.gz HTNISXLMOKFCSB-UHFFFAOYSA-N 2 2 229.287 1.382 20 30 BDEDLP C#Cc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000809601530 586509101 /nfs/dbraw/zinc/50/91/01/586509101.db2.gz FDGWVRSKGWJXGC-UHFFFAOYSA-N 2 2 225.295 1.654 20 30 BDEDLP CN1CC[NH+]=C1NCCCCNc1cccc[nH+]1 ZINC000849001196 588430762 /nfs/dbraw/zinc/43/07/62/588430762.db2.gz FRQVEABEOOHTDK-UHFFFAOYSA-N 2 2 247.346 1.165 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000850470664 588548857 /nfs/dbraw/zinc/54/88/57/588548857.db2.gz GTQOVCMBNHTNLM-CYBMUJFWSA-N 2 2 246.358 1.263 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000850470664 588548858 /nfs/dbraw/zinc/54/88/58/588548858.db2.gz GTQOVCMBNHTNLM-CYBMUJFWSA-N 2 2 246.358 1.263 20 30 BDEDLP C#CC(C)(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851986272 588651849 /nfs/dbraw/zinc/65/18/49/588651849.db2.gz GXCJKKHGHWFKCQ-LBPRGKRZSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC(C)(C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851986272 588651850 /nfs/dbraw/zinc/65/18/50/588651850.db2.gz GXCJKKHGHWFKCQ-LBPRGKRZSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000851986272 588651851 /nfs/dbraw/zinc/65/18/51/588651851.db2.gz GXCJKKHGHWFKCQ-LBPRGKRZSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CC(C)(C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000851986272 588651852 /nfs/dbraw/zinc/65/18/52/588651852.db2.gz GXCJKKHGHWFKCQ-LBPRGKRZSA-N 2 2 226.364 1.031 20 30 BDEDLP C#CCOCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000851990875 588652838 /nfs/dbraw/zinc/65/28/38/588652838.db2.gz YJPPXYYUBGNVSO-CYBMUJFWSA-N 2 2 247.342 1.249 20 30 BDEDLP C#CCOCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000851990875 588652839 /nfs/dbraw/zinc/65/28/39/588652839.db2.gz YJPPXYYUBGNVSO-CYBMUJFWSA-N 2 2 247.342 1.249 20 30 BDEDLP C#CC[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000862447771 589215182 /nfs/dbraw/zinc/21/51/82/589215182.db2.gz QOZMXCUJGVSYQP-GFCCVEGCSA-N 2 2 229.327 1.675 20 30 BDEDLP C#CC[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000862447771 589215183 /nfs/dbraw/zinc/21/51/83/589215183.db2.gz QOZMXCUJGVSYQP-GFCCVEGCSA-N 2 2 229.327 1.675 20 30 BDEDLP C#C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123085099 589661276 /nfs/dbraw/zinc/66/12/76/589661276.db2.gz CAFDLOPGNGLWEV-LBPRGKRZSA-N 2 2 225.295 1.984 20 30 BDEDLP C=CC[C@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000878079130 590487660 /nfs/dbraw/zinc/48/76/60/590487660.db2.gz RUKYIVJLYMPNTF-ZDUSSCGKSA-N 2 2 248.374 1.502 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573001 590810697 /nfs/dbraw/zinc/81/06/97/590810697.db2.gz TXDRKTLUOYAXTR-MNOVXSKESA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573001 590810688 /nfs/dbraw/zinc/81/06/88/590810688.db2.gz TXDRKTLUOYAXTR-MNOVXSKESA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573001 590810692 /nfs/dbraw/zinc/81/06/92/590810692.db2.gz TXDRKTLUOYAXTR-MNOVXSKESA-N 2 2 214.740 1.765 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573001 590810693 /nfs/dbraw/zinc/81/06/93/590810693.db2.gz TXDRKTLUOYAXTR-MNOVXSKESA-N 2 2 214.740 1.765 20 30 BDEDLP CC1([NH+]2CCC2)CC[NH+](CCCC#N)CC1 ZINC000880471991 591052344 /nfs/dbraw/zinc/05/23/44/591052344.db2.gz CEVFKSTWGMGPIV-UHFFFAOYSA-N 2 2 221.348 1.850 20 30 BDEDLP C=CCC[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCCO1 ZINC000883221902 591576500 /nfs/dbraw/zinc/57/65/00/591576500.db2.gz JXMNBTZRUNWNCX-CHWSQXEVSA-N 2 2 226.364 1.651 20 30 BDEDLP CCCCCCCCNC(C[NH3+])C[NH3+] ZINC000309120091 631890020 /nfs/dbraw/zinc/89/00/20/631890020.db2.gz NHMJXHIUQONJKN-UHFFFAOYSA-N 2 2 201.358 1.223 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC000051814303 636025880 /nfs/dbraw/zinc/02/58/80/636025880.db2.gz FAIRFBZXXMEBDY-CQSZACIVSA-N 2 2 239.322 1.913 20 30 BDEDLP C[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000051814114 636025921 /nfs/dbraw/zinc/02/59/21/636025921.db2.gz VNMZBZCJNCHIAF-UHFFFAOYSA-N 2 2 228.339 1.722 20 30 BDEDLP CC(C)(C)NC(NCCn1cc[nH+]c1)=[NH+]C1CC1 ZINC000912507209 640101013 /nfs/dbraw/zinc/10/10/13/640101013.db2.gz XOKATUCVHJIHIE-UHFFFAOYSA-N 2 2 249.362 1.379 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1CC[C@@H](C#N)C1 ZINC000931721748 640338217 /nfs/dbraw/zinc/33/82/17/640338217.db2.gz WJXBXFKZOATBES-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1CC[C@@H](C#N)C1 ZINC000931721748 640338222 /nfs/dbraw/zinc/33/82/22/640338222.db2.gz WJXBXFKZOATBES-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC000931721748 640338231 /nfs/dbraw/zinc/33/82/31/640338231.db2.gz WJXBXFKZOATBES-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC000931721748 640338239 /nfs/dbraw/zinc/33/82/39/640338239.db2.gz WJXBXFKZOATBES-ZOBORPQBSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1CC[C@H](C#N)C1 ZINC000931721746 640339536 /nfs/dbraw/zinc/33/95/36/640339536.db2.gz WJXBXFKZOATBES-XDQVBPFNSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1CC[C@H](C#N)C1 ZINC000931721746 640339541 /nfs/dbraw/zinc/33/95/41/640339541.db2.gz WJXBXFKZOATBES-XDQVBPFNSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H]1CC[C@H](C#N)C1 ZINC000931721746 640339547 /nfs/dbraw/zinc/33/95/47/640339547.db2.gz WJXBXFKZOATBES-XDQVBPFNSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1CC[C@H](C#N)C1 ZINC000931721746 640339553 /nfs/dbraw/zinc/33/95/53/640339553.db2.gz WJXBXFKZOATBES-XDQVBPFNSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CC[C@@H](C#N)C1 ZINC000931721747 640341725 /nfs/dbraw/zinc/34/17/25/640341725.db2.gz WJXBXFKZOATBES-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CC[C@@H](C#N)C1 ZINC000931721747 640341727 /nfs/dbraw/zinc/34/17/27/640341727.db2.gz WJXBXFKZOATBES-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC000931721747 640341734 /nfs/dbraw/zinc/34/17/34/640341734.db2.gz WJXBXFKZOATBES-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC000931721747 640341738 /nfs/dbraw/zinc/34/17/38/640341738.db2.gz WJXBXFKZOATBES-XJFOESAGSA-N 2 2 233.359 1.847 20 30 BDEDLP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000934463928 641156420 /nfs/dbraw/zinc/15/64/20/641156420.db2.gz LAWUBBHPUAROPC-CHWSQXEVSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000934463928 641156422 /nfs/dbraw/zinc/15/64/22/641156422.db2.gz LAWUBBHPUAROPC-CHWSQXEVSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000934463928 641156423 /nfs/dbraw/zinc/15/64/23/641156423.db2.gz LAWUBBHPUAROPC-CHWSQXEVSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000934463928 641156425 /nfs/dbraw/zinc/15/64/25/641156425.db2.gz LAWUBBHPUAROPC-CHWSQXEVSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000934463930 641158206 /nfs/dbraw/zinc/15/82/06/641158206.db2.gz LAWUBBHPUAROPC-QWHCGFSZSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000934463930 641158207 /nfs/dbraw/zinc/15/82/07/641158207.db2.gz LAWUBBHPUAROPC-QWHCGFSZSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000934463930 641158210 /nfs/dbraw/zinc/15/82/10/641158210.db2.gz LAWUBBHPUAROPC-QWHCGFSZSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000934463930 641158213 /nfs/dbraw/zinc/15/82/13/641158213.db2.gz LAWUBBHPUAROPC-QWHCGFSZSA-N 2 2 224.348 1.092 20 30 BDEDLP C=CCC(C)(C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925678840 646407100 /nfs/dbraw/zinc/40/71/00/646407100.db2.gz XMNNXUMCXJWOFP-NSHDSACASA-N 2 2 212.337 1.167 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)no1 ZINC000328087337 711689282 /nfs/dbraw/zinc/68/92/82/711689282.db2.gz HWZXXIVJYLUZJT-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)no1 ZINC000328087337 711689284 /nfs/dbraw/zinc/68/92/84/711689284.db2.gz HWZXXIVJYLUZJT-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C[NH+]1C[C@@]2(C)C[NH+](CCCC#N)C[C@]2(C)C1 ZINC000706257974 712142646 /nfs/dbraw/zinc/14/26/46/712142646.db2.gz WCOCJVZOOHEFGE-STQMWFEESA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+]1C[C@]2(C)C[N@H+](CCCC#N)C[C@]2(C)C1 ZINC000706257966 712142973 /nfs/dbraw/zinc/14/29/73/712142973.db2.gz WCOCJVZOOHEFGE-BETUJISGSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+]1C[C@]2(C)C[N@@H+](CCCC#N)C[C@]2(C)C1 ZINC000706257966 712142974 /nfs/dbraw/zinc/14/29/74/712142974.db2.gz WCOCJVZOOHEFGE-BETUJISGSA-N 2 2 221.348 1.564 20 30 BDEDLP C[NH+]1C[C@]2(C)C[NH+](CCCC#N)C[C@@]2(C)C1 ZINC000706257972 712142625 /nfs/dbraw/zinc/14/26/25/712142625.db2.gz WCOCJVZOOHEFGE-CHWSQXEVSA-N 2 2 221.348 1.564 20 30 BDEDLP C[N@@H+]1C[C@]2(C)C[NH+](CCCC#N)C[C@]2(C)C1 ZINC000706257966 712142971 /nfs/dbraw/zinc/14/29/71/712142971.db2.gz WCOCJVZOOHEFGE-BETUJISGSA-N 2 2 221.348 1.564 20 30 BDEDLP C[N@H+]1C[C@]2(C)C[NH+](CCCC#N)C[C@]2(C)C1 ZINC000706257966 712142972 /nfs/dbraw/zinc/14/29/72/712142972.db2.gz WCOCJVZOOHEFGE-BETUJISGSA-N 2 2 221.348 1.564 20 30 BDEDLP C#CCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000380153172 712700678 /nfs/dbraw/zinc/70/06/78/712700678.db2.gz YFNMKXCSPBLTIX-CYBMUJFWSA-N 2 2 208.349 1.862 20 30 BDEDLP C#CCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000380153172 712700681 /nfs/dbraw/zinc/70/06/81/712700681.db2.gz YFNMKXCSPBLTIX-CYBMUJFWSA-N 2 2 208.349 1.862 20 30 BDEDLP C[C@@H](C#N)OCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718920395 712787843 /nfs/dbraw/zinc/78/78/43/712787843.db2.gz XWXIVRYQZIFJDE-XQQFMLRXSA-N 2 2 237.347 1.084 20 30 BDEDLP C[C@@H](C#N)OCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000718920395 712787844 /nfs/dbraw/zinc/78/78/44/712787844.db2.gz XWXIVRYQZIFJDE-XQQFMLRXSA-N 2 2 237.347 1.084 20 30 BDEDLP C[C@@H](C#N)OCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000718920395 712787845 /nfs/dbraw/zinc/78/78/45/712787845.db2.gz XWXIVRYQZIFJDE-XQQFMLRXSA-N 2 2 237.347 1.084 20 30 BDEDLP C[C@@H](C#N)OCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000718920395 712787846 /nfs/dbraw/zinc/78/78/46/712787846.db2.gz XWXIVRYQZIFJDE-XQQFMLRXSA-N 2 2 237.347 1.084 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCC#N ZINC000720354113 712833107 /nfs/dbraw/zinc/83/31/07/712833107.db2.gz XBHNKBSSEVVBGV-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCC#N ZINC000720354113 712833108 /nfs/dbraw/zinc/83/31/08/712833108.db2.gz XBHNKBSSEVVBGV-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCC#N ZINC000720354113 712833109 /nfs/dbraw/zinc/83/31/09/712833109.db2.gz XBHNKBSSEVVBGV-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCC#N ZINC000720354113 712833110 /nfs/dbraw/zinc/83/31/10/712833110.db2.gz XBHNKBSSEVVBGV-QWHCGFSZSA-N 2 2 221.348 1.849 20 30 BDEDLP C[N@@H+]1CCC[C@@H](C[NH+]2CC(CC#N)C2)C1 ZINC001208604517 969157586 /nfs/dbraw/zinc/15/75/86/969157586.db2.gz PVSCNDFGHCLJPY-LLVKDONJSA-N 2 2 207.321 1.174 20 30 BDEDLP C[N@H+]1CCC[C@@H](C[NH+]2CC(CC#N)C2)C1 ZINC001208604517 969157596 /nfs/dbraw/zinc/15/75/96/969157596.db2.gz PVSCNDFGHCLJPY-LLVKDONJSA-N 2 2 207.321 1.174 20 30 BDEDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1CC#N ZINC001236904480 979793280 /nfs/dbraw/zinc/79/32/80/979793280.db2.gz PRADAUIMVSKZEF-NSHDSACASA-N 2 2 217.316 1.532 20 30 BDEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1CC#N ZINC001236904480 979793292 /nfs/dbraw/zinc/79/32/92/979793292.db2.gz PRADAUIMVSKZEF-NSHDSACASA-N 2 2 217.316 1.532 20 30 BDEDLP SCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898622 971013254 /nfs/dbraw/zinc/01/32/54/971013254.db2.gz NVZDKJVKFZGBFO-LLVKDONJSA-N 2 2 228.405 1.913 20 30 BDEDLP SCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898622 971013264 /nfs/dbraw/zinc/01/32/64/971013264.db2.gz NVZDKJVKFZGBFO-LLVKDONJSA-N 2 2 228.405 1.913 20 30 BDEDLP C=C1C[C@@H]2CC([NH2+]C3(C[NH3+])COC3)C[C@H](C1)C2 ZINC001257888383 971521718 /nfs/dbraw/zinc/52/17/18/971521718.db2.gz JOECYBHRGJNYSP-FUNVUKJBSA-N 2 2 236.359 1.439 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[NH2+]1 ZINC001246091886 972146217 /nfs/dbraw/zinc/14/62/17/972146217.db2.gz LSXGHSFOOUBNBW-QWRGUYRKSA-N 2 2 207.321 1.410 20 30 BDEDLP C#Cc1cc(Nc2cc[nH+]c(NC)c2)cc[nH+]1 ZINC001216331029 958844913 /nfs/dbraw/zinc/84/49/13/958844913.db2.gz JELLCQSAIQENOM-UHFFFAOYSA-N 2 2 224.267 1.665 20 30 BDEDLP N#CCc1cc[nH+]c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159025483 963976312 /nfs/dbraw/zinc/97/63/12/963976312.db2.gz QHMRYAMSCHRYBK-UHFFFAOYSA-N 2 2 242.326 1.337 20 30 BDEDLP C[NH+](C)C1CCC([NH+]2CC(C#N)C2)CC1 ZINC001168315943 964434882 /nfs/dbraw/zinc/43/48/82/964434882.db2.gz RWOWXWIHTAPFKC-UHFFFAOYSA-N 2 2 207.321 1.315 20 30 BDEDLP C=CC(NCCCn1cc[nH+]c1)=[NH+]COC ZINC001161682801 964683405 /nfs/dbraw/zinc/68/34/05/964683405.db2.gz YYAFROZQGUXEFD-UHFFFAOYSA-N 2 2 222.292 1.051 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235987553 966199640 /nfs/dbraw/zinc/19/96/40/966199640.db2.gz GOOZKQKVNAMKHD-HUUCEWRRSA-N 2 2 241.338 1.790 20 30 BDEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235987553 966199660 /nfs/dbraw/zinc/19/96/60/966199660.db2.gz GOOZKQKVNAMKHD-HUUCEWRRSA-N 2 2 241.338 1.790 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001206692086 968432794 /nfs/dbraw/zinc/43/27/94/968432794.db2.gz XOIGHYZABFXOGX-CYBMUJFWSA-N 2 2 226.364 1.653 20 30 BDEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001206692086 968432801 /nfs/dbraw/zinc/43/28/01/968432801.db2.gz XOIGHYZABFXOGX-CYBMUJFWSA-N 2 2 226.364 1.653 20 30 BDEDLP CC1(C[NH3+])C[NH+](Cc2ccccc2CC#N)C1 ZINC001206737207 968447958 /nfs/dbraw/zinc/44/79/58/968447958.db2.gz NBAHSMVRQUZDHZ-UHFFFAOYSA-N 2 2 229.327 1.533 20 30 BDEDLP C=C[C@@](C)(O)C[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001252585388 968840531 /nfs/dbraw/zinc/84/05/31/968840531.db2.gz NAMPJLNIMLOTAE-CYBMUJFWSA-N 2 2 231.299 1.361 20 30 BDEDLP C=CCC[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252604354 968863583 /nfs/dbraw/zinc/86/35/83/968863583.db2.gz QRBRXNZMGYQSFR-CQSZACIVSA-N 2 2 238.375 1.484 20 30 BDEDLP C=CCC[C@H](O)C[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001252614314 968873423 /nfs/dbraw/zinc/87/34/23/968873423.db2.gz HZEWUPZKFXOEJJ-OLZOCXBDSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CCC[C@H](O)C[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001252624370 968885636 /nfs/dbraw/zinc/88/56/36/968885636.db2.gz DFKCCGKRDMWIMM-ZDUSSCGKSA-N 2 2 245.326 1.751 20 30 BDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001169081526 969402069 /nfs/dbraw/zinc/40/20/69/969402069.db2.gz SJQXHMRVXFPAJE-CLLJXQQHSA-N 2 2 233.359 1.895 20 30 BDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001169081526 969402078 /nfs/dbraw/zinc/40/20/78/969402078.db2.gz SJQXHMRVXFPAJE-CLLJXQQHSA-N 2 2 233.359 1.895 20 30 BDEDLP C#Cc1cc(Nc2ccc(C[NH2+]C)cc2)cc[nH+]1 ZINC001211127611 970154626 /nfs/dbraw/zinc/15/46/26/970154626.db2.gz QFAHZBYSTQUPNF-UHFFFAOYSA-N 2 2 237.306 1.948 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001256199402 970698245 /nfs/dbraw/zinc/69/82/45/970698245.db2.gz OZGGYANWKOPABE-UHFFFAOYSA-N 2 2 230.315 1.137 20 30 BDEDLP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246665155 973078300 /nfs/dbraw/zinc/07/83/00/973078300.db2.gz ZSYFBFKWXUUHQP-GRYCIOLGSA-N 2 2 207.321 1.492 20 30 BDEDLP C[C@H](CCCC#N)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246665155 973078313 /nfs/dbraw/zinc/07/83/13/973078313.db2.gz ZSYFBFKWXUUHQP-GRYCIOLGSA-N 2 2 207.321 1.492 20 30 BDEDLP C=CCO[C@@H]1CC[N@@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC001332867514 975301775 /nfs/dbraw/zinc/30/17/75/975301775.db2.gz JBKPOXRXYMWSNK-GFCCVEGCSA-N 2 2 235.331 1.803 20 30 BDEDLP C=CCO[C@@H]1CC[N@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC001332867514 975301781 /nfs/dbraw/zinc/30/17/81/975301781.db2.gz JBKPOXRXYMWSNK-GFCCVEGCSA-N 2 2 235.331 1.803 20 30 BDEDLP CCc1cc(C#N)ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236909705 979793579 /nfs/dbraw/zinc/79/35/79/979793579.db2.gz WCCDJYTUVGJEQO-NSHDSACASA-N 2 2 231.343 1.900 20 30 BDEDLP CCc1cc(C#N)ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236909705 979793587 /nfs/dbraw/zinc/79/35/87/979793587.db2.gz WCCDJYTUVGJEQO-NSHDSACASA-N 2 2 231.343 1.900 20 30 BDEDLP CCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102059 979818868 /nfs/dbraw/zinc/81/88/68/979818868.db2.gz RUQVQSWKOJYUCT-NWDGAFQWSA-N 2 2 214.353 1.615 20 30 BDEDLP CCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102059 979818880 /nfs/dbraw/zinc/81/88/80/979818880.db2.gz RUQVQSWKOJYUCT-NWDGAFQWSA-N 2 2 214.353 1.615 20 30 BDEDLP N#CC1(c2ccccc2)CC([NH2+]CC2([NH3+])CC2)C1 ZINC001356049489 983562347 /nfs/dbraw/zinc/56/23/47/983562347.db2.gz JYAGKPXIYVWAIH-UHFFFAOYSA-N 2 2 241.338 1.691 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCC#N)CC1CC1 ZINC001579454518 985941095 /nfs/dbraw/zinc/94/10/95/985941095.db2.gz IMOQZOWTJUYCES-YPMHNXCESA-N 2 2 221.348 1.468 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCC#N)CC1CC1 ZINC001579454518 985941107 /nfs/dbraw/zinc/94/11/07/985941107.db2.gz IMOQZOWTJUYCES-YPMHNXCESA-N 2 2 221.348 1.468 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001580041252 986436431 /nfs/dbraw/zinc/43/64/31/986436431.db2.gz YHMYRNNMSRVRDF-LVEVGFFFSA-N 2 2 205.305 1.161 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246098092 987414774 /nfs/dbraw/zinc/41/47/74/987414774.db2.gz JFAVXJHVCBLNMB-GRYCIOLGSA-N 2 2 209.337 1.514 20 30 BDEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246104154 987429809 /nfs/dbraw/zinc/42/98/09/987429809.db2.gz ZUSILTQFVXTARJ-QZQSVVMZSA-N 2 2 239.338 1.748 20 30 BDEDLP N#Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246191584 987578775 /nfs/dbraw/zinc/57/87/75/987578775.db2.gz OHWVUYQGSHOTQL-CQSZACIVSA-N 2 2 229.327 1.442 20 30 BDEDLP C[C@H](CC#N)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001474251408 987666857 /nfs/dbraw/zinc/66/68/57/987666857.db2.gz ZURVDEXBFREDDU-LLVKDONJSA-N 2 2 241.298 1.659 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246360255 987769668 /nfs/dbraw/zinc/76/96/68/987769668.db2.gz WLJXEBXTNWYBFX-SWLSCSKDSA-N 2 2 243.354 1.831 20 30 BDEDLP C#CCCC1(CC[NH2+][C@@H]2CCC[NH2+]C2)N=N1 ZINC001246516411 987865376 /nfs/dbraw/zinc/86/53/76/987865376.db2.gz SEFNIMAKTNRRES-LLVKDONJSA-N 2 2 220.320 1.294 20 30 BDEDLP C#CCCC1(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)N=N1 ZINC001246516448 987865694 /nfs/dbraw/zinc/86/56/94/987865694.db2.gz TZQUQJNZZXLSKK-NWDGAFQWSA-N 2 2 234.347 1.682 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246526307 987880400 /nfs/dbraw/zinc/88/04/00/987880400.db2.gz AMEXMZRMDZWYEE-DOMZBBRYSA-N 2 2 243.354 1.912 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246526307 987880404 /nfs/dbraw/zinc/88/04/04/987880404.db2.gz AMEXMZRMDZWYEE-DOMZBBRYSA-N 2 2 243.354 1.912 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648145 988373179 /nfs/dbraw/zinc/37/31/79/988373179.db2.gz KZSJZKZWSXIHDX-RDBSUJKOSA-N 2 2 233.359 1.897 20 30 BDEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648145 988373192 /nfs/dbraw/zinc/37/31/92/988373192.db2.gz KZSJZKZWSXIHDX-RDBSUJKOSA-N 2 2 233.359 1.897 20 30 BDEDLP C#C[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001308882241 991197742 /nfs/dbraw/zinc/19/77/42/991197742.db2.gz DZKPHNNTZSZIDR-ZDUSSCGKSA-N 2 2 238.375 1.081 20 30 BDEDLP C=CCO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC001320321351 992167873 /nfs/dbraw/zinc/16/78/73/992167873.db2.gz KWWHTURTMANLKH-CYBMUJFWSA-N 2 2 235.331 1.550 20 30 BDEDLP C=CCO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC001320321351 992167881 /nfs/dbraw/zinc/16/78/81/992167881.db2.gz KWWHTURTMANLKH-CYBMUJFWSA-N 2 2 235.331 1.550 20 30 BDEDLP C[C@@H](CC#N)[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001575913045 993124210 /nfs/dbraw/zinc/12/42/10/993124210.db2.gz FTMWPDKFKUQSNZ-NSHDSACASA-N 2 2 248.330 1.081 20 30 BDEDLP C=C(C)[C@@H](CO)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000649386233 398192975 /nfs/dbraw/zinc/19/29/75/398192975.db2.gz VQRNVXGIACSRDQ-CYBMUJFWSA-N 2 2 235.331 1.526 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000649390189 398196986 /nfs/dbraw/zinc/19/69/86/398196986.db2.gz XNYZRSOAQXSUOI-MCIONIFRSA-N 2 2 249.358 1.703 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000649390189 398196987 /nfs/dbraw/zinc/19/69/87/398196987.db2.gz XNYZRSOAQXSUOI-MCIONIFRSA-N 2 2 249.358 1.703 20 30 BDEDLP C=C(C)[C@H](CO)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000649377767 398185260 /nfs/dbraw/zinc/18/52/60/398185260.db2.gz AFFVXBJSXATQSK-ZDUSSCGKSA-N 2 2 226.364 1.386 20 30 BDEDLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1C#N ZINC000382993351 398209669 /nfs/dbraw/zinc/20/96/69/398209669.db2.gz FIDGADOXJPVROX-SNVBAGLBSA-N 2 2 233.315 1.346 20 30 BDEDLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1C#N ZINC000382993351 398209670 /nfs/dbraw/zinc/20/96/70/398209670.db2.gz FIDGADOXJPVROX-SNVBAGLBSA-N 2 2 233.315 1.346 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000602620779 349641471 /nfs/dbraw/zinc/64/14/71/349641471.db2.gz GDYMCUGEMVMXRW-NWDGAFQWSA-N 2 2 232.331 1.727 20 30 BDEDLP N#CC1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000602621553 349641486 /nfs/dbraw/zinc/64/14/86/349641486.db2.gz ICMDSOIMUXIVJV-WXRRBKDZSA-N 2 2 244.342 1.870 20 30 BDEDLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248755638 323032874 /nfs/dbraw/zinc/03/28/74/323032874.db2.gz CNRVDVCNTGNKIC-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP C=CCC[C@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000309030687 136274598 /nfs/dbraw/zinc/27/45/98/136274598.db2.gz DMJAXKHXMOGKJM-LBPRGKRZSA-N 2 2 214.353 1.245 20 30 BDEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000309030687 136274599 /nfs/dbraw/zinc/27/45/99/136274599.db2.gz DMJAXKHXMOGKJM-LBPRGKRZSA-N 2 2 214.353 1.245 20 30 BDEDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335642581 136308957 /nfs/dbraw/zinc/30/89/57/136308957.db2.gz FVHAGKJZEQYYJM-BXUZGUMPSA-N 2 2 229.327 1.788 20 30 BDEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135131914 343940566 /nfs/dbraw/zinc/94/05/66/343940566.db2.gz MIPKQJNZCVWUEJ-UHFFFAOYSA-N 2 2 233.315 1.725 20 30 BDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000335128280 343929107 /nfs/dbraw/zinc/92/91/07/343929107.db2.gz GUGSNZLZLREMNT-HIFRSBDPSA-N 2 2 241.338 1.887 20 30 BDEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000600712887 344361712 /nfs/dbraw/zinc/36/17/12/344361712.db2.gz CFFCAVMDKIECCG-NNYUYHANSA-N 2 2 207.321 1.409 20 30 BDEDLP N#Cc1ccc(F)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107576431 345554742 /nfs/dbraw/zinc/55/47/42/345554742.db2.gz JNZCWYXXLKMDHY-CHWSQXEVSA-N 2 2 245.301 1.349 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000295026641 346345769 /nfs/dbraw/zinc/34/57/69/346345769.db2.gz ODRDXRKQEMGTKX-GFCCVEGCSA-N 2 2 249.333 1.826 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000295026641 346345773 /nfs/dbraw/zinc/34/57/73/346345773.db2.gz ODRDXRKQEMGTKX-GFCCVEGCSA-N 2 2 249.333 1.826 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000309568905 347106299 /nfs/dbraw/zinc/10/62/99/347106299.db2.gz MBIRVKQEDWDIIN-GRYCIOLGSA-N 2 2 219.332 1.505 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000309568905 347106301 /nfs/dbraw/zinc/10/63/01/347106301.db2.gz MBIRVKQEDWDIIN-GRYCIOLGSA-N 2 2 219.332 1.505 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590956101 347593762 /nfs/dbraw/zinc/59/37/62/347593762.db2.gz SJBGTDRNESSEKT-ZDUSSCGKSA-N 2 2 232.331 1.588 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590956101 347593764 /nfs/dbraw/zinc/59/37/64/347593764.db2.gz SJBGTDRNESSEKT-ZDUSSCGKSA-N 2 2 232.331 1.588 20 30 BDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460951 347641876 /nfs/dbraw/zinc/64/18/76/347641876.db2.gz VIRLKAWDWBBJEY-QWHCGFSZSA-N 2 2 233.359 1.706 20 30 BDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460951 347641877 /nfs/dbraw/zinc/64/18/77/347641877.db2.gz VIRLKAWDWBBJEY-QWHCGFSZSA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460951 347641879 /nfs/dbraw/zinc/64/18/79/347641879.db2.gz VIRLKAWDWBBJEY-QWHCGFSZSA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C#N)CC3)CC[C@H]21 ZINC000334460951 347641881 /nfs/dbraw/zinc/64/18/81/347641881.db2.gz VIRLKAWDWBBJEY-QWHCGFSZSA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC2(CC1)C[N@H+](CC1(C#N)CC1)CCO2 ZINC000592184228 347760003 /nfs/dbraw/zinc/76/00/03/347760003.db2.gz HETHBRPGMUQRQY-UHFFFAOYSA-N 2 2 249.358 1.087 20 30 BDEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC1(C#N)CC1)CCO2 ZINC000592184228 347760007 /nfs/dbraw/zinc/76/00/07/347760007.db2.gz HETHBRPGMUQRQY-UHFFFAOYSA-N 2 2 249.358 1.087 20 30 BDEDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592474307 347791499 /nfs/dbraw/zinc/79/14/99/347791499.db2.gz ZXWDNCOXQOTNDH-NWDGAFQWSA-N 2 2 244.342 1.512 20 30 BDEDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592474307 347791501 /nfs/dbraw/zinc/79/15/01/347791501.db2.gz ZXWDNCOXQOTNDH-NWDGAFQWSA-N 2 2 244.342 1.512 20 30 BDEDLP Cc1[nH+]cc(C[NH+]2CCC(CC#N)CC2)n1C ZINC000597082754 348658930 /nfs/dbraw/zinc/65/89/30/348658930.db2.gz PPLUECIOVYZSRS-UHFFFAOYSA-N 2 2 232.331 1.854 20 30 BDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000264426726 192373300 /nfs/dbraw/zinc/37/33/00/192373300.db2.gz YNXYWZBMQSLSAW-UHFFFAOYSA-N 2 2 248.374 1.550 20 30 BDEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CC#N ZINC000308896190 349055535 /nfs/dbraw/zinc/05/55/35/349055535.db2.gz ZNWKKRPYWVUBQS-LLVKDONJSA-N 2 2 203.289 1.824 20 30 BDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598720841 349027688 /nfs/dbraw/zinc/02/76/88/349027688.db2.gz TVXRRSAHVYIFDF-CABCVRRESA-N 2 2 241.338 1.871 20 30 BDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598720841 349027690 /nfs/dbraw/zinc/02/76/90/349027690.db2.gz TVXRRSAHVYIFDF-CABCVRRESA-N 2 2 241.338 1.871 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000336686808 350955173 /nfs/dbraw/zinc/95/51/73/350955173.db2.gz TZECWDQTUVBYMR-VXGBXAGGSA-N 2 2 218.304 1.555 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC[C@H](C#N)C1 ZINC000278753004 351780995 /nfs/dbraw/zinc/78/09/95/351780995.db2.gz XEWCZJJDOVEAPM-STQMWFEESA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC[C@H](C#N)C1 ZINC000278753004 351780996 /nfs/dbraw/zinc/78/09/96/351780996.db2.gz XEWCZJJDOVEAPM-STQMWFEESA-N 2 2 232.331 1.897 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336752435 353083740 /nfs/dbraw/zinc/08/37/40/353083740.db2.gz GVYXOHZVIWJCSR-NEPJUHHUSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCCOCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336752435 353083742 /nfs/dbraw/zinc/08/37/42/353083742.db2.gz GVYXOHZVIWJCSR-NEPJUHHUSA-N 2 2 212.337 1.119 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC#N ZINC000336758974 353168854 /nfs/dbraw/zinc/16/88/54/353168854.db2.gz LBSUOGWNZCWBOI-JQWIXIFHSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC#N ZINC000336758974 353168858 /nfs/dbraw/zinc/16/88/58/353168858.db2.gz LBSUOGWNZCWBOI-JQWIXIFHSA-N 2 2 207.321 1.362 20 30 BDEDLP C=CC[NH+](CC=C)CCc1c[nH+]cn1C ZINC000290009303 353379078 /nfs/dbraw/zinc/37/90/78/353379078.db2.gz LTDISBXYUOAWFZ-UHFFFAOYSA-N 2 2 205.305 1.637 20 30 BDEDLP C#CC[NH+]1CCCC2(CCC[N@@H+](CC#C)C2)C1 ZINC000289627944 353623319 /nfs/dbraw/zinc/62/33/19/353623319.db2.gz ZOCQWRVYCFUVOM-UHFFFAOYSA-N 2 2 230.355 1.431 20 30 BDEDLP C#CC[NH+]1CCCC2(CCC[N@H+](CC#C)C2)C1 ZINC000289627944 353623322 /nfs/dbraw/zinc/62/33/22/353623322.db2.gz ZOCQWRVYCFUVOM-UHFFFAOYSA-N 2 2 230.355 1.431 20 30 BDEDLP N#CC1(F)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000352485164 181030067 /nfs/dbraw/zinc/03/00/67/181030067.db2.gz YLWGTWYRCPEYPX-UHFFFAOYSA-N 2 2 222.267 1.211 20 30 BDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000135146977 181109216 /nfs/dbraw/zinc/10/92/16/181109216.db2.gz VHWFZCSZPJDVSE-LLVKDONJSA-N 2 2 245.326 1.725 20 30 BDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000135146977 181109217 /nfs/dbraw/zinc/10/92/17/181109217.db2.gz VHWFZCSZPJDVSE-LLVKDONJSA-N 2 2 245.326 1.725 20 30 BDEDLP CC1(C#N)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000272589893 535275997 /nfs/dbraw/zinc/27/59/97/535275997.db2.gz PIPOQQIPPZUAOP-UHFFFAOYSA-N 2 2 218.304 1.509 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329518978 355927345 /nfs/dbraw/zinc/92/73/45/355927345.db2.gz NTKUEIPAXAWNBA-MXWKQRLJSA-N 2 2 230.315 1.549 20 30 BDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329518978 355927346 /nfs/dbraw/zinc/92/73/46/355927346.db2.gz NTKUEIPAXAWNBA-MXWKQRLJSA-N 2 2 230.315 1.549 20 30 BDEDLP C[N@H+](Cc1cccc(C#N)c1)C1(C[NH3+])CCC1 ZINC000385261802 357042612 /nfs/dbraw/zinc/04/26/12/357042612.db2.gz XQBKIFFLZMGJKN-UHFFFAOYSA-N 2 2 229.327 1.871 20 30 BDEDLP C[N@@H+](Cc1cccc(C#N)c1)C1(C[NH3+])CCC1 ZINC000385261802 357042614 /nfs/dbraw/zinc/04/26/14/357042614.db2.gz XQBKIFFLZMGJKN-UHFFFAOYSA-N 2 2 229.327 1.871 20 30 BDEDLP CCC1([NH+](C)C)CC[NH+](CC#CCOC)CC1 ZINC000640016951 358080920 /nfs/dbraw/zinc/08/09/20/358080920.db2.gz HQDMHVNDWNNJFP-UHFFFAOYSA-N 2 2 238.375 1.442 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]CCC[NH2+][C@@H](CC)CC#N ZINC000222314997 358158672 /nfs/dbraw/zinc/15/86/72/358158672.db2.gz XGFXUVIOYKROBP-STQMWFEESA-N 2 2 236.363 1.940 20 30 BDEDLP C[C@@H](C[NH+](C)C)[NH2+]CC(C)(C)CCC#N ZINC000229701672 358406900 /nfs/dbraw/zinc/40/69/00/358406900.db2.gz GGZPJAYSNDIEGG-NSHDSACASA-N 2 2 211.353 1.856 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306480751 360150226 /nfs/dbraw/zinc/15/02/26/360150226.db2.gz NJTFPJYTCDIAIF-SNVBAGLBSA-N 2 2 200.713 1.424 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306480751 360150231 /nfs/dbraw/zinc/15/02/31/360150231.db2.gz NJTFPJYTCDIAIF-SNVBAGLBSA-N 2 2 200.713 1.424 20 30 BDEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC#N)C1 ZINC000579344999 366764022 /nfs/dbraw/zinc/76/40/22/366764022.db2.gz OKOKWJTUXGZGJU-ZDUSSCGKSA-N 2 2 223.364 1.858 20 30 BDEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC#N)C1 ZINC000579344999 366764029 /nfs/dbraw/zinc/76/40/29/366764029.db2.gz OKOKWJTUXGZGJU-ZDUSSCGKSA-N 2 2 223.364 1.858 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459732003 203345692 /nfs/dbraw/zinc/34/56/92/203345692.db2.gz OCDNSAFJVORWFX-QWRGUYRKSA-N 2 2 209.337 1.466 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459732003 203345695 /nfs/dbraw/zinc/34/56/95/203345695.db2.gz OCDNSAFJVORWFX-QWRGUYRKSA-N 2 2 209.337 1.466 20 30 BDEDLP C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619717375 369547612 /nfs/dbraw/zinc/54/76/12/369547612.db2.gz FKLHAQGAOBJTDW-NWDGAFQWSA-N 2 2 249.314 1.248 20 30 BDEDLP C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619717375 369547617 /nfs/dbraw/zinc/54/76/17/369547617.db2.gz FKLHAQGAOBJTDW-NWDGAFQWSA-N 2 2 249.314 1.248 20 30 BDEDLP Cc1ccc(C[N@H+](C)CC[NH3+])cc1C#N ZINC000600711670 369560838 /nfs/dbraw/zinc/56/08/38/369560838.db2.gz UQLQCPQNHFWJAG-UHFFFAOYSA-N 2 2 203.289 1.257 20 30 BDEDLP Cc1ccc(C[N@@H+](C)CC[NH3+])cc1C#N ZINC000600711670 369560841 /nfs/dbraw/zinc/56/08/41/369560841.db2.gz UQLQCPQNHFWJAG-UHFFFAOYSA-N 2 2 203.289 1.257 20 30 BDEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000600713662 369561323 /nfs/dbraw/zinc/56/13/23/369561323.db2.gz KJMWYHWEOBVCNP-UHIISALHSA-N 2 2 229.327 1.959 20 30 BDEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000600769598 369562567 /nfs/dbraw/zinc/56/25/67/369562567.db2.gz PGRRYXZCHLTKTM-LLVKDONJSA-N 2 2 245.326 1.916 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000600768122 369563366 /nfs/dbraw/zinc/56/33/66/369563366.db2.gz CMXMVROBQUYYSR-NXEZZACHSA-N 2 2 219.288 1.463 20 30 BDEDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)o1 ZINC000600768122 369563369 /nfs/dbraw/zinc/56/33/69/369563369.db2.gz CMXMVROBQUYYSR-NXEZZACHSA-N 2 2 219.288 1.463 20 30 BDEDLP N#Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)o1 ZINC000600769276 369563631 /nfs/dbraw/zinc/56/36/31/369563631.db2.gz LDDMBQNFILKDLY-UHFFFAOYSA-N 2 2 219.288 1.383 20 30 BDEDLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000601328834 369621964 /nfs/dbraw/zinc/62/19/64/369621964.db2.gz AJWSKUMECAIATM-SMDDNHRTSA-N 2 2 229.327 1.788 20 30 BDEDLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000601328834 369621968 /nfs/dbraw/zinc/62/19/68/369621968.db2.gz AJWSKUMECAIATM-SMDDNHRTSA-N 2 2 229.327 1.788 20 30 BDEDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(C#N)n1 ZINC000602528462 369806881 /nfs/dbraw/zinc/80/68/81/369806881.db2.gz BRROIDYDWGSYBW-LLVKDONJSA-N 2 2 232.331 1.383 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)COC)CC1 ZINC000167404661 206144025 /nfs/dbraw/zinc/14/40/25/206144025.db2.gz NUBIRQQIQZEIFW-NSHDSACASA-N 2 2 212.337 1.261 20 30 BDEDLP C#CCC[NH+]1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371203821 533050157 /nfs/dbraw/zinc/05/01/57/533050157.db2.gz DJCQGXULNACHHJ-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[NH+]1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371203821 533050163 /nfs/dbraw/zinc/05/01/63/533050163.db2.gz DJCQGXULNACHHJ-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000371203821 533050165 /nfs/dbraw/zinc/05/01/65/533050165.db2.gz DJCQGXULNACHHJ-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000371203821 533050166 /nfs/dbraw/zinc/05/01/66/533050166.db2.gz DJCQGXULNACHHJ-OLZOCXBDSA-N 2 2 206.333 1.568 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)o1 ZINC000135147573 384419039 /nfs/dbraw/zinc/41/90/39/384419039.db2.gz PWLZKNWDAKDASS-SNVBAGLBSA-N 2 2 230.271 1.526 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000647181275 384550113 /nfs/dbraw/zinc/55/01/13/384550113.db2.gz SYOALMJUQNZZJA-AAEUAGOBSA-N 2 2 224.348 1.404 20 30 BDEDLP CCC[N@@H+](CC#N)CCCn1cc[nH+]c1 ZINC000045092748 385242910 /nfs/dbraw/zinc/24/29/10/385242910.db2.gz HGZPKAIVBGYNRG-UHFFFAOYSA-N 2 2 206.293 1.509 20 30 BDEDLP CCC[N@H+](CC#N)CCCn1cc[nH+]c1 ZINC000045092748 385242914 /nfs/dbraw/zinc/24/29/14/385242914.db2.gz HGZPKAIVBGYNRG-UHFFFAOYSA-N 2 2 206.293 1.509 20 30 BDEDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000309249306 386036909 /nfs/dbraw/zinc/03/69/09/386036909.db2.gz ZIMIOFMGLQDPQX-ZWNOBZJWSA-N 2 2 215.300 1.480 20 30 BDEDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000309249306 386036912 /nfs/dbraw/zinc/03/69/12/386036912.db2.gz ZIMIOFMGLQDPQX-ZWNOBZJWSA-N 2 2 215.300 1.480 20 30 BDEDLP CC[N@H+](CCNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000330462557 386722224 /nfs/dbraw/zinc/72/22/24/386722224.db2.gz SMFCDVAHKPXNAF-UHFFFAOYSA-N 2 2 238.335 1.753 20 30 BDEDLP CC[N@@H+](CCNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000330462557 386722228 /nfs/dbraw/zinc/72/22/28/386722228.db2.gz SMFCDVAHKPXNAF-UHFFFAOYSA-N 2 2 238.335 1.753 20 30 BDEDLP CN(C)c1[nH+]cc(C[NH2+]CCCCC#N)n1C ZINC000425364767 386971236 /nfs/dbraw/zinc/97/12/36/386971236.db2.gz XODWOKFLDLDRML-UHFFFAOYSA-N 2 2 235.335 1.270 20 30 BDEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423524433 387356332 /nfs/dbraw/zinc/35/63/32/387356332.db2.gz OOWPZKUPRNAEKV-SDDRHHMPSA-N 2 2 212.337 1.165 20 30 BDEDLP C#CCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271209187 387441860 /nfs/dbraw/zinc/44/18/60/387441860.db2.gz HBYFFFYLQRKISY-QWHCGFSZSA-N 2 2 217.316 1.789 20 30 BDEDLP C#CCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271209187 387441863 /nfs/dbraw/zinc/44/18/63/387441863.db2.gz HBYFFFYLQRKISY-QWHCGFSZSA-N 2 2 217.316 1.789 20 30 BDEDLP Cc1[nH+]ccn1CC[NH2+]Cc1nc(C#N)cs1 ZINC000352843724 387516736 /nfs/dbraw/zinc/51/67/36/387516736.db2.gz CIJALSZNIDYDIP-UHFFFAOYSA-N 2 2 247.327 1.310 20 30 BDEDLP Cc1cc(NCCC[NH+](C)C)c(C#N)c[nH+]1 ZINC000399602171 387558703 /nfs/dbraw/zinc/55/87/03/387558703.db2.gz UDGSDHQRIIOZPT-UHFFFAOYSA-N 2 2 218.304 1.047 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442779872 387838390 /nfs/dbraw/zinc/83/83/90/387838390.db2.gz MCVZGJZORIEMBH-GXTWGEPZSA-N 2 2 233.359 1.919 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000423092178 387882309 /nfs/dbraw/zinc/88/23/09/387882309.db2.gz AUYJAGSEJXKHEG-QWRGUYRKSA-N 2 2 207.321 1.268 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423124014 387903598 /nfs/dbraw/zinc/90/35/98/387903598.db2.gz NWMXHJNKUQDODT-ILXRZTDVSA-N 2 2 246.354 1.616 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423124017 387903780 /nfs/dbraw/zinc/90/37/80/387903780.db2.gz NWMXHJNKUQDODT-RBSFLKMASA-N 2 2 246.354 1.616 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388381 388191912 /nfs/dbraw/zinc/19/19/12/388191912.db2.gz OYLSSULENPKVRJ-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388381 388191914 /nfs/dbraw/zinc/19/19/14/388191914.db2.gz OYLSSULENPKVRJ-UONOGXRCSA-N 2 2 240.391 1.778 20 30 BDEDLP C#CC[N@@H+](Cc1cc[nH+]c(N)c1)C1CCCC1 ZINC000491807246 388322087 /nfs/dbraw/zinc/32/20/87/388322087.db2.gz RYSOWHPBLMHUNW-UHFFFAOYSA-N 2 2 229.327 1.872 20 30 BDEDLP C#CC[N@H+](Cc1cc[nH+]c(N)c1)C1CCCC1 ZINC000491807246 388322088 /nfs/dbraw/zinc/32/20/88/388322088.db2.gz RYSOWHPBLMHUNW-UHFFFAOYSA-N 2 2 229.327 1.872 20 30 BDEDLP C#C[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000393618976 388435519 /nfs/dbraw/zinc/43/55/19/388435519.db2.gz JRBFTFPGNZDKFJ-LBPRGKRZSA-N 2 2 208.349 1.718 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287102 388543984 /nfs/dbraw/zinc/54/39/84/388543984.db2.gz BYTBOFXRIXTACY-STQMWFEESA-N 2 2 235.331 1.457 20 30 BDEDLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1C#N ZINC000414867467 388665373 /nfs/dbraw/zinc/66/53/73/388665373.db2.gz OFXPPTFGGZVGMU-ZDUSSCGKSA-N 2 2 245.326 1.408 20 30 BDEDLP C=C(C)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000352007761 134035120 /nfs/dbraw/zinc/03/51/20/134035120.db2.gz YVOCFZROLQVIRT-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C=C(C)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000352007761 134035121 /nfs/dbraw/zinc/03/51/21/134035121.db2.gz YVOCFZROLQVIRT-AWEZNQCLSA-N 2 2 238.375 1.607 20 30 BDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000336292249 134142139 /nfs/dbraw/zinc/14/21/39/134142139.db2.gz VEWNVWCPNFAUAC-GFCCVEGCSA-N 2 2 221.348 1.706 20 30 BDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000336292249 134142140 /nfs/dbraw/zinc/14/21/40/134142140.db2.gz VEWNVWCPNFAUAC-GFCCVEGCSA-N 2 2 221.348 1.706 20 30 BDEDLP CN(C)C(=[NH+]Cc1c[nH+]c2n1CCCC2)N(C)C ZINC000370267831 134225454 /nfs/dbraw/zinc/22/54/54/134225454.db2.gz UJCCUXDCABETMF-UHFFFAOYSA-N 2 2 249.362 1.199 20 30 BDEDLP CC#CCN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371204193 134227887 /nfs/dbraw/zinc/22/78/87/134227887.db2.gz GDYQWKLGJQTGDV-HNNXBMFYSA-N 2 2 249.402 1.110 20 30 BDEDLP CC#CCN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371204193 134227888 /nfs/dbraw/zinc/22/78/88/134227888.db2.gz GDYQWKLGJQTGDV-HNNXBMFYSA-N 2 2 249.402 1.110 20 30 BDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC#N)CC[C@H]21 ZINC000227336377 134378240 /nfs/dbraw/zinc/37/82/40/134378240.db2.gz BQOBFIAGAFBRHR-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CCC#N)CC[C@H]21 ZINC000227336377 134378241 /nfs/dbraw/zinc/37/82/41/134378241.db2.gz BQOBFIAGAFBRHR-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CCC#N)CC[C@H]21 ZINC000227336377 134378242 /nfs/dbraw/zinc/37/82/42/134378242.db2.gz BQOBFIAGAFBRHR-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC#N)CC[C@H]21 ZINC000227336377 134378243 /nfs/dbraw/zinc/37/82/43/134378243.db2.gz BQOBFIAGAFBRHR-VXGBXAGGSA-N 2 2 207.321 1.316 20 30 BDEDLP c1ccc(NCCCCNC2=[NH+]CCCN2)[nH+]c1 ZINC000340036799 135096555 /nfs/dbraw/zinc/09/65/55/135096555.db2.gz CHGOTDDOVXVQBU-UHFFFAOYSA-N 2 2 247.346 1.213 20 30 BDEDLP N#CCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000273070018 135365530 /nfs/dbraw/zinc/36/55/30/135365530.db2.gz ODKDSLNQZMPUPQ-UHFFFAOYSA-N 2 2 214.272 1.728 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000295105031 135379064 /nfs/dbraw/zinc/37/90/64/135379064.db2.gz WNWXITVNLMWRNY-LBPRGKRZSA-N 2 2 248.374 1.334 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000295105031 135379065 /nfs/dbraw/zinc/37/90/65/135379065.db2.gz WNWXITVNLMWRNY-LBPRGKRZSA-N 2 2 248.374 1.334 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000295032517 135379131 /nfs/dbraw/zinc/37/91/31/135379131.db2.gz ORYWNSWYYOUTIG-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000295032517 135379132 /nfs/dbraw/zinc/37/91/32/135379132.db2.gz ORYWNSWYYOUTIG-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP C#CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000268738823 166136651 /nfs/dbraw/zinc/13/66/51/166136651.db2.gz SRMMYCOKAUKORP-UHFFFAOYSA-N 2 2 203.289 1.543 20 30 BDEDLP C#C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000289374843 166217197 /nfs/dbraw/zinc/21/71/97/166217197.db2.gz LXYNHXKAOWEKJA-LBPRGKRZSA-N 2 2 202.301 1.934 20 30 BDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000177908372 166353479 /nfs/dbraw/zinc/35/34/79/166353479.db2.gz BKCCYHJZGFVLQY-LBPRGKRZSA-N 2 2 246.358 1.778 20 30 BDEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000423173151 411236568 /nfs/dbraw/zinc/23/65/68/411236568.db2.gz XDXVXEQTCRSVLJ-QWRGUYRKSA-N 2 2 209.337 1.514 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658209558 411294576 /nfs/dbraw/zinc/29/45/76/411294576.db2.gz HBVOBRNEMSVZSV-JSGCOSHPSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658209558 411294579 /nfs/dbraw/zinc/29/45/79/411294579.db2.gz HBVOBRNEMSVZSV-JSGCOSHPSA-N 2 2 238.375 1.651 20 30 BDEDLP C=CC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655729659 411375045 /nfs/dbraw/zinc/37/50/45/411375045.db2.gz ICKCITYIVDJWJV-GXTWGEPZSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000657658161 411571962 /nfs/dbraw/zinc/57/19/62/411571962.db2.gz NYRLRGIXPBBSBQ-NEPJUHHUSA-N 2 2 212.337 1.119 20 30 BDEDLP C=CCOCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000657658161 411571963 /nfs/dbraw/zinc/57/19/63/411571963.db2.gz NYRLRGIXPBBSBQ-NEPJUHHUSA-N 2 2 212.337 1.119 20 30 BDEDLP C#CC[N@H+](C)CCCNc1nc(C)[nH+]cc1C ZINC000491568487 412043261 /nfs/dbraw/zinc/04/32/61/412043261.db2.gz QTMAWCVBIRINJS-UHFFFAOYSA-N 2 2 232.331 1.460 20 30 BDEDLP C#CC[N@@H+](C)CCCNc1nc(C)[nH+]cc1C ZINC000491568487 412043268 /nfs/dbraw/zinc/04/32/68/412043268.db2.gz QTMAWCVBIRINJS-UHFFFAOYSA-N 2 2 232.331 1.460 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000133022179 173369354 /nfs/dbraw/zinc/36/93/54/173369354.db2.gz WOWUMHVUAAIWJC-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000133022179 173369356 /nfs/dbraw/zinc/36/93/56/173369356.db2.gz WOWUMHVUAAIWJC-AWEZNQCLSA-N 2 2 229.327 1.742 20 30 BDEDLP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554859 487755721 /nfs/dbraw/zinc/75/57/21/487755721.db2.gz BIRAYBJGOJRABK-ZIAGYGMSSA-N 2 2 248.326 1.472 20 30 BDEDLP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554859 487755722 /nfs/dbraw/zinc/75/57/22/487755722.db2.gz BIRAYBJGOJRABK-ZIAGYGMSSA-N 2 2 248.326 1.472 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000561947417 323008998 /nfs/dbraw/zinc/00/89/98/323008998.db2.gz VLBMDCVRKIBJRE-CYBMUJFWSA-N 2 2 244.342 1.337 20 30 BDEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000561947417 323008999 /nfs/dbraw/zinc/00/89/99/323008999.db2.gz VLBMDCVRKIBJRE-CYBMUJFWSA-N 2 2 244.342 1.337 20 30 BDEDLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248755638 323032873 /nfs/dbraw/zinc/03/28/73/323032873.db2.gz CNRVDVCNTGNKIC-NEPJUHHUSA-N 2 2 209.337 1.610 20 30 BDEDLP C=CCOCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570694427 323067492 /nfs/dbraw/zinc/06/74/92/323067492.db2.gz HNNNHBNZIGVVPY-ZDUSSCGKSA-N 2 2 249.358 1.802 20 30 BDEDLP C=CCOCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570694427 323067493 /nfs/dbraw/zinc/06/74/93/323067493.db2.gz HNNNHBNZIGVVPY-ZDUSSCGKSA-N 2 2 249.358 1.802 20 30 BDEDLP C=C(C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312129 323170453 /nfs/dbraw/zinc/17/04/53/323170453.db2.gz BNDBJHQNURCQEN-LLVKDONJSA-N 2 2 205.305 1.786 20 30 BDEDLP C=C(C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312129 323170454 /nfs/dbraw/zinc/17/04/54/323170454.db2.gz BNDBJHQNURCQEN-LLVKDONJSA-N 2 2 205.305 1.786 20 30 BDEDLP C=CC[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000308852825 323180189 /nfs/dbraw/zinc/18/01/89/323180189.db2.gz GBZOXNPRIWRMKB-UHFFFAOYSA-N 2 2 212.312 1.729 20 30 BDEDLP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000566245525 326022779 /nfs/dbraw/zinc/02/27/79/326022779.db2.gz NAJQOWCOGCRVJP-DOMZBBRYSA-N 2 2 243.354 1.983 20 30 BDEDLP N#CC1(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000568829258 326378580 /nfs/dbraw/zinc/37/85/80/326378580.db2.gz RGIBVMQYCUKVPZ-UHFFFAOYSA-N 2 2 226.283 1.728 20 30 BDEDLP C=CCCn1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nn1 ZINC000655938021 491098754 /nfs/dbraw/zinc/09/87/54/491098754.db2.gz JGDDDGCNLCVIRQ-NEPJUHHUSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nn1 ZINC000655938021 491098755 /nfs/dbraw/zinc/09/87/55/491098755.db2.gz JGDDDGCNLCVIRQ-NEPJUHHUSA-N 2 2 249.362 1.023 20 30 BDEDLP C=C(CC)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000358612366 534394679 /nfs/dbraw/zinc/39/46/79/534394679.db2.gz JIBHPQBCNJOOOP-UHFFFAOYSA-N 2 2 234.347 1.508 20 30 BDEDLP C=CCOCC[NH+]1CCC([NH+](C)C)CC1 ZINC000338906531 534878565 /nfs/dbraw/zinc/87/85/65/534878565.db2.gz VIXNRHRJIZQCLU-UHFFFAOYSA-N 2 2 212.337 1.215 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000895808625 583729659 /nfs/dbraw/zinc/72/96/59/583729659.db2.gz LLYZGUQQQWIPAN-UHFFFAOYSA-N 2 2 230.315 1.295 20 30 BDEDLP C=C(C)C[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000883399280 583794289 /nfs/dbraw/zinc/79/42/89/583794289.db2.gz IUPZCEFOZDGNQE-NSHDSACASA-N 2 2 223.320 1.145 20 30 BDEDLP C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C[NH+](C)C ZINC000902998518 584714918 /nfs/dbraw/zinc/71/49/18/584714918.db2.gz FJBNCXJGGAJPLP-RYUDHWBXSA-N 2 2 246.358 1.802 20 30 BDEDLP N#Cc1ccc([C@@H]2C[N@H+](CCC[NH3+])CCO2)cc1 ZINC000903824922 584804561 /nfs/dbraw/zinc/80/45/61/584804561.db2.gz VASIVUNGSCPWTM-AWEZNQCLSA-N 2 2 245.326 1.280 20 30 BDEDLP N#Cc1ccc([C@@H]2C[N@@H+](CCC[NH3+])CCO2)cc1 ZINC000903824922 584804563 /nfs/dbraw/zinc/80/45/63/584804563.db2.gz VASIVUNGSCPWTM-AWEZNQCLSA-N 2 2 245.326 1.280 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCO1 ZINC000775571993 585680240 /nfs/dbraw/zinc/68/02/40/585680240.db2.gz NMOHNMPAVATGIB-RFQIPJPRSA-N 2 2 236.359 1.240 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCO1 ZINC000775571993 585680241 /nfs/dbraw/zinc/68/02/41/585680241.db2.gz NMOHNMPAVATGIB-RFQIPJPRSA-N 2 2 236.359 1.240 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000775571991 585680335 /nfs/dbraw/zinc/68/03/35/585680335.db2.gz NMOHNMPAVATGIB-CRWXNKLISA-N 2 2 236.359 1.240 20 30 BDEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000775571991 585680336 /nfs/dbraw/zinc/68/03/36/585680336.db2.gz NMOHNMPAVATGIB-CRWXNKLISA-N 2 2 236.359 1.240 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccccn1 ZINC000776178700 585691618 /nfs/dbraw/zinc/69/16/18/585691618.db2.gz CDPIPIXQIDPBBR-UHFFFAOYSA-N 2 2 241.298 1.989 20 30 BDEDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817917358 586840808 /nfs/dbraw/zinc/84/08/08/586840808.db2.gz DWNNICAQQLMOLQ-YPMHNXCESA-N 2 2 245.326 1.601 20 30 BDEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC#N)cn1 ZINC000818967932 586918399 /nfs/dbraw/zinc/91/83/99/586918399.db2.gz FPEOQPSNHNSFJK-UHFFFAOYSA-N 2 2 241.298 1.579 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000825227515 587310459 /nfs/dbraw/zinc/31/04/59/587310459.db2.gz UGYOXFFUONLRGO-SWLSCSKDSA-N 2 2 228.339 1.708 20 30 BDEDLP C#Cc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000825227515 587310461 /nfs/dbraw/zinc/31/04/61/587310461.db2.gz UGYOXFFUONLRGO-SWLSCSKDSA-N 2 2 228.339 1.708 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CCOCC1 ZINC000827554885 587387363 /nfs/dbraw/zinc/38/73/63/587387363.db2.gz KKQGJUIDRBUIAW-CQSZACIVSA-N 2 2 247.342 1.247 20 30 BDEDLP C#CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000830345760 587547008 /nfs/dbraw/zinc/54/70/08/587547008.db2.gz RPRRCNSTNLKTHO-UHFFFAOYSA-N 2 2 203.289 1.228 20 30 BDEDLP C#CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846838993 588292307 /nfs/dbraw/zinc/29/23/07/588292307.db2.gz SIRLPOQCFZBMKY-LLVKDONJSA-N 2 2 203.289 1.233 20 30 BDEDLP C#CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846838993 588292308 /nfs/dbraw/zinc/29/23/08/588292308.db2.gz SIRLPOQCFZBMKY-LLVKDONJSA-N 2 2 203.289 1.233 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCCO1 ZINC000850251002 588532087 /nfs/dbraw/zinc/53/20/87/588532087.db2.gz JJOSYECFJZGBFL-CHWSQXEVSA-N 2 2 245.326 1.100 20 30 BDEDLP C#CCOCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000851998473 588653858 /nfs/dbraw/zinc/65/38/58/588653858.db2.gz SQNOOBSTNHUSAN-CQSZACIVSA-N 2 2 246.310 1.185 20 30 BDEDLP C#CCOCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000851998473 588653859 /nfs/dbraw/zinc/65/38/59/588653859.db2.gz SQNOOBSTNHUSAN-CQSZACIVSA-N 2 2 246.310 1.185 20 30 BDEDLP CCn1c[nH+]cc1C=NNc1cc[nH+]cc1C ZINC000863158273 589263777 /nfs/dbraw/zinc/26/37/77/589263777.db2.gz UXNIGEVPXFNPJS-UHFFFAOYSA-N 2 2 229.287 1.474 20 30 BDEDLP Cc1cc[nH+]c(N)c1C=[NH+]O[C@H]1CCCCO1 ZINC000872360251 589918787 /nfs/dbraw/zinc/91/87/87/589918787.db2.gz FXMAMTGHEZBVCA-NSHDSACASA-N 2 2 235.287 1.849 20 30 BDEDLP C=C[C@@H](C)O[NH+]=Cc1c(C)cc[nH+]c1N ZINC000872386882 589929963 /nfs/dbraw/zinc/92/99/63/589929963.db2.gz GWWPQPNRFPTZSI-SECBINFHSA-N 2 2 205.261 1.897 20 30 BDEDLP CCCCCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000876988513 590265909 /nfs/dbraw/zinc/26/59/09/590265909.db2.gz FAPUHQPAHLUUKA-GFCCVEGCSA-N 2 2 243.395 1.352 20 30 BDEDLP Cn1c[nH+]cc1CC[NH+]1CCC(C#N)CC1 ZINC000878016760 590473099 /nfs/dbraw/zinc/47/30/99/590473099.db2.gz UWBSNIWIFRMTMR-UHFFFAOYSA-N 2 2 218.304 1.198 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880132268 590934263 /nfs/dbraw/zinc/93/42/63/590934263.db2.gz DJHAPFBGZMROCA-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132268 590934264 /nfs/dbraw/zinc/93/42/64/590934264.db2.gz DJHAPFBGZMROCA-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132268 590934265 /nfs/dbraw/zinc/93/42/65/590934265.db2.gz DJHAPFBGZMROCA-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132268 590934266 /nfs/dbraw/zinc/93/42/66/590934266.db2.gz DJHAPFBGZMROCA-MJBXVCDLSA-N 2 2 238.375 1.482 20 30 BDEDLP C=C(C)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208847 590958836 /nfs/dbraw/zinc/95/88/36/590958836.db2.gz WCNMZGRFJHMTFZ-AWEZNQCLSA-N 2 2 238.375 1.796 20 30 BDEDLP C=C(C)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208847 590958839 /nfs/dbraw/zinc/95/88/39/590958839.db2.gz WCNMZGRFJHMTFZ-AWEZNQCLSA-N 2 2 238.375 1.796 20 30 BDEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000883166217 591558401 /nfs/dbraw/zinc/55/84/01/591558401.db2.gz VOWHYORHQNMJAO-ZIAGYGMSSA-N 2 2 249.358 1.987 20 30 BDEDLP C#CC1([NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000883361378 591630052 /nfs/dbraw/zinc/63/00/52/591630052.db2.gz BDTJWNHMKVPRAI-UHFFFAOYSA-N 2 2 229.327 1.865 20 30 BDEDLP C=CC[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000883433974 591664155 /nfs/dbraw/zinc/66/41/55/591664155.db2.gz DDWWXHVJNKHVTG-KGYLQXTDSA-N 2 2 234.347 1.111 20 30 BDEDLP C=CC[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000883433974 591664157 /nfs/dbraw/zinc/66/41/57/591664157.db2.gz DDWWXHVJNKHVTG-KGYLQXTDSA-N 2 2 234.347 1.111 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000054182131 636048858 /nfs/dbraw/zinc/04/88/58/636048858.db2.gz PLMPWPGZIYPZQR-WODVXLOZSA-N 2 2 221.348 1.893 20 30 BDEDLP CC[C@@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054182131 636048861 /nfs/dbraw/zinc/04/88/61/636048861.db2.gz PLMPWPGZIYPZQR-WODVXLOZSA-N 2 2 221.348 1.893 20 30 BDEDLP CC(C)(CC#N)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925692368 634322829 /nfs/dbraw/zinc/32/28/29/634322829.db2.gz JXQHPAIKDYFMKT-JTQLQIEISA-N 2 2 209.337 1.656 20 30 BDEDLP C=CCSCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000231930250 641217796 /nfs/dbraw/zinc/21/77/96/641217796.db2.gz XOSBGZUBCOJMJK-RYUDHWBXSA-N 2 2 244.404 1.262 20 30 BDEDLP CCCCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925620432 646368442 /nfs/dbraw/zinc/36/84/42/646368442.db2.gz GKUUUTHPDHSAGF-CYBMUJFWSA-N 2 2 228.380 1.925 20 30 BDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925702397 646427309 /nfs/dbraw/zinc/42/73/09/646427309.db2.gz CNDQOWNGHHWDSH-WOPDTQHZSA-N 2 2 219.332 1.553 20 30 BDEDLP C[C@H](CCC#N)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706259643 712142636 /nfs/dbraw/zinc/14/26/36/712142636.db2.gz PCBSGMZRBIUKJB-RDBSUJKOSA-N 2 2 235.375 1.952 20 30 BDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCOCCC#N ZINC000718931476 712788697 /nfs/dbraw/zinc/78/86/97/712788697.db2.gz MCQWOVPTFQZIEQ-QWHCGFSZSA-N 2 2 237.347 1.085 20 30 BDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCOCCC#N ZINC000718931476 712788699 /nfs/dbraw/zinc/78/86/99/712788699.db2.gz MCQWOVPTFQZIEQ-QWHCGFSZSA-N 2 2 237.347 1.085 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCOCCC#N ZINC000718931476 712788701 /nfs/dbraw/zinc/78/87/01/712788701.db2.gz MCQWOVPTFQZIEQ-QWHCGFSZSA-N 2 2 237.347 1.085 20 30 BDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCOCCC#N ZINC000718931476 712788703 /nfs/dbraw/zinc/78/87/03/712788703.db2.gz MCQWOVPTFQZIEQ-QWHCGFSZSA-N 2 2 237.347 1.085 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(C)ccc1O ZINC000385731439 711017883 /nfs/dbraw/zinc/01/78/83/711017883.db2.gz KQAJEFRFQRDGAG-UHFFFAOYSA-N 2 2 247.342 1.140 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(C)ccc1O ZINC000385731439 711017887 /nfs/dbraw/zinc/01/78/87/711017887.db2.gz KQAJEFRFQRDGAG-UHFFFAOYSA-N 2 2 247.342 1.140 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccoc1 ZINC000393946649 711180417 /nfs/dbraw/zinc/18/04/17/711180417.db2.gz NGKJMMBATOWXKS-UHFFFAOYSA-N 2 2 206.289 1.324 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccoc1 ZINC000393946649 711180418 /nfs/dbraw/zinc/18/04/18/711180418.db2.gz NGKJMMBATOWXKS-UHFFFAOYSA-N 2 2 206.289 1.324 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C)o1 ZINC000700853041 712008788 /nfs/dbraw/zinc/00/87/88/712008788.db2.gz ACPFYJRWOLKMHM-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C)o1 ZINC000700853041 712008789 /nfs/dbraw/zinc/00/87/89/712008789.db2.gz ACPFYJRWOLKMHM-UHFFFAOYSA-N 2 2 221.304 1.028 20 30 BDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C#N)C[C@H]21 ZINC000385045263 712708018 /nfs/dbraw/zinc/70/80/18/712708018.db2.gz ZSJZIGUSDCSCIO-GDNZZTSVSA-N 2 2 221.348 1.418 20 30 BDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C#N)C[C@H]21 ZINC000385045263 712708020 /nfs/dbraw/zinc/70/80/20/712708020.db2.gz ZSJZIGUSDCSCIO-GDNZZTSVSA-N 2 2 221.348 1.418 20 30 BDEDLP C#C[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256209256 970708981 /nfs/dbraw/zinc/70/89/81/970708981.db2.gz UTUIKHFCESWPMJ-GFCCVEGCSA-N 2 2 206.333 1.426 20 30 BDEDLP C=CCC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001252586159 983836122 /nfs/dbraw/zinc/83/61/22/983836122.db2.gz DDGPJPFFDSRZJD-GFCCVEGCSA-N 2 2 223.320 1.190 20 30 BDEDLP C#Cc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206065101 971146901 /nfs/dbraw/zinc/14/69/01/971146901.db2.gz MGKFORFDYNHKSR-BXUZGUMPSA-N 2 2 214.312 1.447 20 30 BDEDLP C#Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206065101 971146908 /nfs/dbraw/zinc/14/69/08/971146908.db2.gz MGKFORFDYNHKSR-BXUZGUMPSA-N 2 2 214.312 1.447 20 30 BDEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH+]ccc1N ZINC001209732194 957529573 /nfs/dbraw/zinc/52/95/73/957529573.db2.gz ZPTJWHSPUFVDKR-UOJUARBOSA-N 2 2 242.326 1.761 20 30 BDEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH+]ccc1N ZINC001209732194 957529585 /nfs/dbraw/zinc/52/95/85/957529585.db2.gz ZPTJWHSPUFVDKR-UOJUARBOSA-N 2 2 242.326 1.761 20 30 BDEDLP Cc1cccc(NC(=[NH2+])SCC[NH3+])c1C#N ZINC001167914118 961095210 /nfs/dbraw/zinc/09/52/10/961095210.db2.gz HWIPAIQATMXZAO-UHFFFAOYSA-N 2 2 234.328 1.905 20 30 BDEDLP N#CCc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154990413 962930984 /nfs/dbraw/zinc/93/09/84/962930984.db2.gz XJHOWFKRZAJDJF-RYUDHWBXSA-N 2 2 230.315 1.829 20 30 BDEDLP Cc1[nH+]c(NCC2C[NH+](C)C2)ccc1CC#N ZINC001159222144 964027066 /nfs/dbraw/zinc/02/70/66/964027066.db2.gz IBVFYBKVVWPBDM-UHFFFAOYSA-N 2 2 230.315 1.430 20 30 BDEDLP N#CCc1cc(NCCCn2cc[nH+]c2)cc[nH+]1 ZINC001161688640 964688231 /nfs/dbraw/zinc/68/82/31/964688231.db2.gz XSJLXIMWCIVIMX-UHFFFAOYSA-N 2 2 241.298 1.268 20 30 BDEDLP N#CCc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162391931 964953358 /nfs/dbraw/zinc/95/33/58/964953358.db2.gz OPORWEXJFHTNAV-RYUDHWBXSA-N 2 2 230.315 1.829 20 30 BDEDLP C#Cc1cc(Nc2cc[nH+]c(N)c2)cc[nH+]1 ZINC001206522686 968357026 /nfs/dbraw/zinc/35/70/26/968357026.db2.gz VEBMFWXRJAGPNA-UHFFFAOYSA-N 2 2 210.240 1.206 20 30 BDEDLP C=CCC[C@@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252597094 968856481 /nfs/dbraw/zinc/85/64/81/968856481.db2.gz WSVRZCYYUYXEEI-GFCCVEGCSA-N 2 2 249.358 1.446 20 30 BDEDLP C=CCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209162234 969359871 /nfs/dbraw/zinc/35/98/71/969359871.db2.gz WBXALKCSDWXGFU-UHFFFAOYSA-N 2 2 240.391 1.995 20 30 BDEDLP C=CCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209162234 969359878 /nfs/dbraw/zinc/35/98/78/969359878.db2.gz WBXALKCSDWXGFU-UHFFFAOYSA-N 2 2 240.391 1.995 20 30 BDEDLP N#CC1CC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848397 969803998 /nfs/dbraw/zinc/80/39/98/969803998.db2.gz OOXVEENHORDDOZ-WXRRBKDZSA-N 2 2 219.332 1.362 20 30 BDEDLP C#C[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256209256 970708970 /nfs/dbraw/zinc/70/89/70/970708970.db2.gz UTUIKHFCESWPMJ-GFCCVEGCSA-N 2 2 206.333 1.426 20 30 BDEDLP C[C@H]([NH3+])[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001327857277 972760356 /nfs/dbraw/zinc/76/03/56/972760356.db2.gz ZQWKDROYAVPKSQ-XOEAPDPESA-N 2 2 243.354 1.936 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001171180630 972817404 /nfs/dbraw/zinc/81/74/04/972817404.db2.gz BPKHQDGBHPFPSZ-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001171180630 972817405 /nfs/dbraw/zinc/81/74/05/972817405.db2.gz BPKHQDGBHPFPSZ-FZMZJTMJSA-N 2 2 229.327 1.522 20 30 BDEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](C#N)C1)C2 ZINC001172123667 974391378 /nfs/dbraw/zinc/39/13/78/974391378.db2.gz HPZFPTGYKTUKGS-YIYPIFLZSA-N 2 2 233.359 1.847 20 30 BDEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](C#N)C1)C2 ZINC001172123667 974391386 /nfs/dbraw/zinc/39/13/86/974391386.db2.gz HPZFPTGYKTUKGS-YIYPIFLZSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](C#N)C1)C2 ZINC001172123667 974391389 /nfs/dbraw/zinc/39/13/89/974391389.db2.gz HPZFPTGYKTUKGS-YIYPIFLZSA-N 2 2 233.359 1.847 20 30 BDEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](C#N)C1)C2 ZINC001172123667 974391395 /nfs/dbraw/zinc/39/13/95/974391395.db2.gz HPZFPTGYKTUKGS-YIYPIFLZSA-N 2 2 233.359 1.847 20 30 BDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172300973 974515214 /nfs/dbraw/zinc/51/52/14/974515214.db2.gz IZMKZJYWHNPNBN-OASPWFOLSA-N 2 2 215.300 1.178 20 30 BDEDLP Cc1nnn([NH+]=CC2CC[NH+](C)CC2)c1C ZINC001331335456 974687942 /nfs/dbraw/zinc/68/79/42/974687942.db2.gz LKIUBMGYHVTRRZ-UHFFFAOYSA-N 2 2 221.308 1.071 20 30 BDEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)Cn1cc[nH+]c1 ZINC001335943007 977376373 /nfs/dbraw/zinc/37/63/73/977376373.db2.gz UQIDKROXAHNWLD-QWHCGFSZSA-N 2 2 245.330 1.552 20 30 BDEDLP C[C@H](CCC#N)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176070902 977869169 /nfs/dbraw/zinc/86/91/69/977869169.db2.gz SGHRQGXUMSTPJA-FRRDWIJNSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@H](CCC#N)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176070902 977869172 /nfs/dbraw/zinc/86/91/72/977869172.db2.gz SGHRQGXUMSTPJA-FRRDWIJNSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001176070902 977869176 /nfs/dbraw/zinc/86/91/76/977869176.db2.gz SGHRQGXUMSTPJA-FRRDWIJNSA-N 2 2 221.348 1.847 20 30 BDEDLP C[C@H](CCC#N)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001176070902 977869178 /nfs/dbraw/zinc/86/91/78/977869178.db2.gz SGHRQGXUMSTPJA-FRRDWIJNSA-N 2 2 221.348 1.847 20 30 BDEDLP C#Cc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235154513 978983657 /nfs/dbraw/zinc/98/36/57/978983657.db2.gz GDQLBXGWXHHBRR-LSDHHAIUSA-N 2 2 226.323 1.591 20 30 BDEDLP C#Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235154513 978983662 /nfs/dbraw/zinc/98/36/62/978983662.db2.gz GDQLBXGWXHHBRR-LSDHHAIUSA-N 2 2 226.323 1.591 20 30 BDEDLP N#CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000825720109 983916472 /nfs/dbraw/zinc/91/64/72/983916472.db2.gz ADWRQMXVNPORQJ-UHFFFAOYSA-N 2 2 227.271 1.271 20 30 BDEDLP [NH3+]C1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001580152375 986625355 /nfs/dbraw/zinc/62/53/55/986625355.db2.gz IUBQNPFYVORCPK-UHFFFAOYSA-N 2 2 228.339 1.899 20 30 BDEDLP C#CC(CC)(CC)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246072629 987359504 /nfs/dbraw/zinc/35/95/04/987359504.db2.gz QBZMRVFNTKEOCX-VXGBXAGGSA-N 2 2 208.349 1.909 20 30 BDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246089156 987395150 /nfs/dbraw/zinc/39/51/50/987395150.db2.gz ZJIYTFCHDBBSSX-GARJFASQSA-N 2 2 200.301 1.631 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246109732 987442367 /nfs/dbraw/zinc/44/23/67/987442367.db2.gz GSXLRODKWZOXKV-GRYCIOLGSA-N 2 2 209.337 1.514 20 30 BDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246360254 987767356 /nfs/dbraw/zinc/76/73/56/987767356.db2.gz WLJXEBXTNWYBFX-IUODEOHRSA-N 2 2 243.354 1.831 20 30 BDEDLP C[C@@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)CC[NH2+]1 ZINC001246527174 987883311 /nfs/dbraw/zinc/88/33/11/987883311.db2.gz RVBHAMUZOBLDBA-NEPJUHHUSA-N 2 2 221.348 1.943 20 30 BDEDLP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639088 988337420 /nfs/dbraw/zinc/33/74/20/988337420.db2.gz NZGXBCZXSYSLNP-IJLUTSLNSA-N 2 2 207.321 1.505 20 30 BDEDLP C[C@H](CCCC#N)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639088 988337434 /nfs/dbraw/zinc/33/74/34/988337434.db2.gz NZGXBCZXSYSLNP-IJLUTSLNSA-N 2 2 207.321 1.505 20 30 BDEDLP C=CCC[C@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001258725201 991662460 /nfs/dbraw/zinc/66/24/60/991662460.db2.gz HLMFPIIJFOILKQ-LBPRGKRZSA-N 2 2 226.364 1.387 20 30 BDEDLP C=CC[C@H](C(=O)OC)[N@H+](C)CC(C)(C)C[NH3+] ZINC001574888878 992933734 /nfs/dbraw/zinc/93/37/34/992933734.db2.gz LQMYIIKCPHHYQW-SNVBAGLBSA-N 2 2 228.336 1.021 20 30 BDEDLP C=CC[C@H](C(=O)OC)[N@@H+](C)CC(C)(C)C[NH3+] ZINC001574888878 992933742 /nfs/dbraw/zinc/93/37/42/992933742.db2.gz LQMYIIKCPHHYQW-SNVBAGLBSA-N 2 2 228.336 1.021 20 30 BDEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779281 136221550 /nfs/dbraw/zinc/22/15/50/136221550.db2.gz NUMZJWLRXSAWHW-NEPJUHHUSA-N 2 2 221.348 1.610 20 30 BDEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779281 136221551 /nfs/dbraw/zinc/22/15/51/136221551.db2.gz NUMZJWLRXSAWHW-NEPJUHHUSA-N 2 2 221.348 1.610 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000037267412 361793763 /nfs/dbraw/zinc/79/37/63/361793763.db2.gz ZEJNOQLOMBGGTL-UHFFFAOYSA-N 2 2 247.317 1.881 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000602528848 349578329 /nfs/dbraw/zinc/57/83/29/349578329.db2.gz LTMSIKZVCJPGBF-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000602528848 349578330 /nfs/dbraw/zinc/57/83/30/349578330.db2.gz LTMSIKZVCJPGBF-NWDGAFQWSA-N 2 2 209.337 1.610 20 30 BDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)cs1 ZINC000093492344 361864462 /nfs/dbraw/zinc/86/44/62/361864462.db2.gz VVOHOLYSRHWLFN-JTQLQIEISA-N 2 2 246.339 1.995 20 30 BDEDLP CC[N@H+](CCC#N)CCn1cc[nH+]c1C ZINC000042454586 136272994 /nfs/dbraw/zinc/27/29/94/136272994.db2.gz LWBCCLMXMDUACW-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP CC[N@@H+](CCC#N)CCn1cc[nH+]c1C ZINC000042454586 136272995 /nfs/dbraw/zinc/27/29/95/136272995.db2.gz LWBCCLMXMDUACW-UHFFFAOYSA-N 2 2 206.293 1.427 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000349326190 136341753 /nfs/dbraw/zinc/34/17/53/136341753.db2.gz TVVFHYKZIVJVTC-LPWJVIDDSA-N 2 2 233.359 1.893 20 30 BDEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[N@H+]1C1CC1 ZINC000349326190 136341754 /nfs/dbraw/zinc/34/17/54/136341754.db2.gz TVVFHYKZIVJVTC-LPWJVIDDSA-N 2 2 233.359 1.893 20 30 BDEDLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C#N ZINC000602979110 349843183 /nfs/dbraw/zinc/84/31/83/349843183.db2.gz AATZLCWMAYDPIM-VXGBXAGGSA-N 2 2 218.304 1.507 20 30 BDEDLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C#N ZINC000602979110 349843185 /nfs/dbraw/zinc/84/31/85/349843185.db2.gz AATZLCWMAYDPIM-VXGBXAGGSA-N 2 2 218.304 1.507 20 30 BDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C#N ZINC000602979845 349844168 /nfs/dbraw/zinc/84/41/68/349844168.db2.gz IJZQOOITLSJBCP-CHWSQXEVSA-N 2 2 232.331 1.897 20 30 BDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C#N ZINC000602979845 349844170 /nfs/dbraw/zinc/84/41/70/349844170.db2.gz IJZQOOITLSJBCP-CHWSQXEVSA-N 2 2 232.331 1.897 20 30 BDEDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000337885657 344255339 /nfs/dbraw/zinc/25/53/39/344255339.db2.gz VRSWZHHQYWOMIU-LBPRGKRZSA-N 2 2 247.342 1.973 20 30 BDEDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000337885657 344255343 /nfs/dbraw/zinc/25/53/43/344255343.db2.gz VRSWZHHQYWOMIU-LBPRGKRZSA-N 2 2 247.342 1.973 20 30 BDEDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000337885656 344259990 /nfs/dbraw/zinc/25/99/90/344259990.db2.gz VRSWZHHQYWOMIU-GFCCVEGCSA-N 2 2 247.342 1.973 20 30 BDEDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000337885656 344259991 /nfs/dbraw/zinc/25/99/91/344259991.db2.gz VRSWZHHQYWOMIU-GFCCVEGCSA-N 2 2 247.342 1.973 20 30 BDEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000600712885 344361705 /nfs/dbraw/zinc/36/17/05/344361705.db2.gz CFFCAVMDKIECCG-FIQHERPVSA-N 2 2 207.321 1.409 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccnn1C ZINC000294877117 346314454 /nfs/dbraw/zinc/31/44/54/346314454.db2.gz DDFZMUPNBFOKRG-GFCCVEGCSA-N 2 2 234.347 1.026 20 30 BDEDLP C[C@@H](C[NH2+]CCC#N)C[NH+]1CCCCC1 ZINC000574911677 346410378 /nfs/dbraw/zinc/41/03/78/346410378.db2.gz ACTVFLQETDSICF-LBPRGKRZSA-N 2 2 209.337 1.612 20 30 BDEDLP N#CCC[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000183183790 347121498 /nfs/dbraw/zinc/12/14/98/347121498.db2.gz KKSUEOWICJLTLW-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP N#CCC[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000183183790 347121500 /nfs/dbraw/zinc/12/15/00/347121500.db2.gz KKSUEOWICJLTLW-UHFFFAOYSA-N 2 2 232.331 1.899 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309976124 347209238 /nfs/dbraw/zinc/20/92/38/347209238.db2.gz SVZRLAYRMPPVCM-RWMBFGLXSA-N 2 2 226.364 1.101 20 30 BDEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309976124 347209239 /nfs/dbraw/zinc/20/92/39/347209239.db2.gz SVZRLAYRMPPVCM-RWMBFGLXSA-N 2 2 226.364 1.101 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250527935 362808952 /nfs/dbraw/zinc/80/89/52/362808952.db2.gz QJBDQBDFQQZUEC-MNOVXSKESA-N 2 2 214.740 1.955 20 30 BDEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250527935 362808961 /nfs/dbraw/zinc/80/89/61/362808961.db2.gz QJBDQBDFQQZUEC-MNOVXSKESA-N 2 2 214.740 1.955 20 30 BDEDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000591581372 347678081 /nfs/dbraw/zinc/67/80/81/347678081.db2.gz SJWLOAWCQSWJAD-BDAKNGLRSA-N 2 2 221.279 1.695 20 30 BDEDLP C[NH+](C)CC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000308634765 347944263 /nfs/dbraw/zinc/94/42/63/347944263.db2.gz GBFDRGJUWDCWHU-UHFFFAOYSA-N 2 2 209.337 1.610 20 30 BDEDLP CC(C)[NH+](CCC[NH2+]CCC#N)C(C)C ZINC000563881484 323182847 /nfs/dbraw/zinc/18/28/47/323182847.db2.gz JRPIRDQNPLCZKU-UHFFFAOYSA-N 2 2 211.353 1.999 20 30 BDEDLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840798 348375058 /nfs/dbraw/zinc/37/50/58/348375058.db2.gz FQGLOXQUHVACMH-GFCCVEGCSA-N 2 2 218.304 1.198 20 30 BDEDLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840798 348375062 /nfs/dbraw/zinc/37/50/62/348375062.db2.gz FQGLOXQUHVACMH-GFCCVEGCSA-N 2 2 218.304 1.198 20 30 BDEDLP N#Cc1ccc(CC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000595892901 348390846 /nfs/dbraw/zinc/39/08/46/348390846.db2.gz OUFQLNQPFJCMCS-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000595892901 348390847 /nfs/dbraw/zinc/39/08/47/348390847.db2.gz OUFQLNQPFJCMCS-CQSZACIVSA-N 2 2 229.327 1.524 20 30 BDEDLP N#CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000397762499 350005196 /nfs/dbraw/zinc/00/51/96/350005196.db2.gz LJVKEXONLYLXPG-LBPRGKRZSA-N 2 2 218.304 1.509 20 30 BDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC#N)[C@@H](C)C1 ZINC000336653010 350420428 /nfs/dbraw/zinc/42/04/28/350420428.db2.gz XMNYRWBDBYIDQG-NWDGAFQWSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CCC#N)[C@@H](C)C1 ZINC000336653010 350420431 /nfs/dbraw/zinc/42/04/31/350420431.db2.gz XMNYRWBDBYIDQG-NWDGAFQWSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CCC#N)[C@@H](C)C1 ZINC000336653010 350420434 /nfs/dbraw/zinc/42/04/34/350420434.db2.gz XMNYRWBDBYIDQG-NWDGAFQWSA-N 2 2 209.337 1.562 20 30 BDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC#N)[C@@H](C)C1 ZINC000336653010 350420437 /nfs/dbraw/zinc/42/04/37/350420437.db2.gz XMNYRWBDBYIDQG-NWDGAFQWSA-N 2 2 209.337 1.562 20 30 BDEDLP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000336716589 350471725 /nfs/dbraw/zinc/47/17/25/350471725.db2.gz VVXQQXRYJMAYFW-LLVKDONJSA-N 2 2 232.331 1.816 20 30 BDEDLP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336716589 350471727 /nfs/dbraw/zinc/47/17/27/350471727.db2.gz VVXQQXRYJMAYFW-LLVKDONJSA-N 2 2 232.331 1.816 20 30 BDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC#N ZINC000336758976 353168693 /nfs/dbraw/zinc/16/86/93/353168693.db2.gz LBSUOGWNZCWBOI-ZYHUDNBSSA-N 2 2 207.321 1.362 20 30 BDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC#N ZINC000336758976 353168695 /nfs/dbraw/zinc/16/86/95/353168695.db2.gz LBSUOGWNZCWBOI-ZYHUDNBSSA-N 2 2 207.321 1.362 20 30 BDEDLP C=CCOCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292679639 353719699 /nfs/dbraw/zinc/71/96/99/353719699.db2.gz BRCVKKUZGWDTHJ-UHFFFAOYSA-N 2 2 235.331 1.792 20 30 BDEDLP Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399069388 353825897 /nfs/dbraw/zinc/82/58/97/353825897.db2.gz NGBIGNNFGUEUHA-JOYOIKCWSA-N 2 2 230.315 1.435 20 30 BDEDLP C=CC[N@@H+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000234686794 363427399 /nfs/dbraw/zinc/42/73/99/363427399.db2.gz GAHSYOHHKYHSQD-GFCCVEGCSA-N 2 2 214.353 1.494 20 30 BDEDLP C=CC[N@H+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000234686794 363427404 /nfs/dbraw/zinc/42/74/04/363427404.db2.gz GAHSYOHHKYHSQD-GFCCVEGCSA-N 2 2 214.353 1.494 20 30 BDEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000192604346 356231041 /nfs/dbraw/zinc/23/10/41/356231041.db2.gz ZQYTXDJJDMWHKC-NEPJUHHUSA-N 2 2 218.304 1.555 20 30 BDEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000094341364 356858410 /nfs/dbraw/zinc/85/84/10/356858410.db2.gz CDAPNGIMSAADCV-RISCZKNCSA-N 2 2 229.327 1.727 20 30 BDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000094341364 356858414 /nfs/dbraw/zinc/85/84/14/356858414.db2.gz CDAPNGIMSAADCV-RISCZKNCSA-N 2 2 229.327 1.727 20 30 BDEDLP N#CCC[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000583138898 357499362 /nfs/dbraw/zinc/49/93/62/357499362.db2.gz NVAQTHXGVKBJTH-UHFFFAOYSA-N 2 2 214.272 1.380 20 30 BDEDLP C=CC[N@@H+](CCOC)Cc1cccc2[nH+]ccn21 ZINC000191763864 357794970 /nfs/dbraw/zinc/79/49/70/357794970.db2.gz WYCMEEOSARXGIU-UHFFFAOYSA-N 2 2 245.326 1.969 20 30 BDEDLP C=CC[N@H+](CCOC)Cc1cccc2[nH+]ccn21 ZINC000191763864 357794975 /nfs/dbraw/zinc/79/49/75/357794975.db2.gz WYCMEEOSARXGIU-UHFFFAOYSA-N 2 2 245.326 1.969 20 30 BDEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000371203820 134227937 /nfs/dbraw/zinc/22/79/37/134227937.db2.gz DJCQGXULNACHHJ-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000371203820 134227938 /nfs/dbraw/zinc/22/79/38/134227938.db2.gz DJCQGXULNACHHJ-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120585556 134229716 /nfs/dbraw/zinc/22/97/16/134229716.db2.gz ISQHHKWPBGMULD-CHWSQXEVSA-N 2 2 238.375 1.794 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000120585556 134229717 /nfs/dbraw/zinc/22/97/17/134229717.db2.gz ISQHHKWPBGMULD-CHWSQXEVSA-N 2 2 238.375 1.794 20 30 BDEDLP CCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264105448 535423268 /nfs/dbraw/zinc/42/32/68/535423268.db2.gz PGPHKYYYPNYAGQ-SNVBAGLBSA-N 2 2 240.376 1.275 20 30 BDEDLP C=CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003595 360052421 /nfs/dbraw/zinc/05/24/21/360052421.db2.gz BINWZHWAZZMTFO-GFCCVEGCSA-N 2 2 219.332 1.861 20 30 BDEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000381173497 367359177 /nfs/dbraw/zinc/35/91/77/367359177.db2.gz UQAUKLIICKTMOD-NSHDSACASA-N 2 2 221.348 1.610 20 30 BDEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)NC1CC1 ZINC000066246661 368642322 /nfs/dbraw/zinc/64/23/22/368642322.db2.gz HBLPLDYTARYRFT-UHFFFAOYSA-N 2 2 247.346 1.340 20 30 BDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459659853 203329944 /nfs/dbraw/zinc/32/99/44/203329944.db2.gz ABVHQVIATZPPDF-AAEUAGOBSA-N 2 2 235.375 1.999 20 30 BDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459659853 203329948 /nfs/dbraw/zinc/32/99/48/203329948.db2.gz ABVHQVIATZPPDF-AAEUAGOBSA-N 2 2 235.375 1.999 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600769655 369562398 /nfs/dbraw/zinc/56/23/98/369562398.db2.gz XDBAAWAOWVWSOD-LLVKDONJSA-N 2 2 233.315 1.583 20 30 BDEDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600769655 369562400 /nfs/dbraw/zinc/56/24/00/369562400.db2.gz XDBAAWAOWVWSOD-LLVKDONJSA-N 2 2 233.315 1.583 20 30 BDEDLP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000600768970 369562767 /nfs/dbraw/zinc/56/27/67/369562767.db2.gz IQNTUVGRZXEGAM-ZACCUICWSA-N 2 2 231.299 1.524 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000600768128 369563564 /nfs/dbraw/zinc/56/35/64/369563564.db2.gz CMXMVROBQUYYSR-ZJUUUORDSA-N 2 2 219.288 1.463 20 30 BDEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)o1 ZINC000600768128 369563569 /nfs/dbraw/zinc/56/35/69/369563569.db2.gz CMXMVROBQUYYSR-ZJUUUORDSA-N 2 2 219.288 1.463 20 30 BDEDLP C[N@H+](Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600767714 369563881 /nfs/dbraw/zinc/56/38/81/369563881.db2.gz CFNMGNYHVLNHBV-FOSCPWQOSA-N 2 2 245.326 1.866 20 30 BDEDLP C[N@@H+](Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600767714 369563884 /nfs/dbraw/zinc/56/38/84/369563884.db2.gz CFNMGNYHVLNHBV-FOSCPWQOSA-N 2 2 245.326 1.866 20 30 BDEDLP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1C#N ZINC000600772963 369564403 /nfs/dbraw/zinc/56/44/03/369564403.db2.gz LJIPRDRPUMKGHN-GXFFZTMASA-N 2 2 245.326 1.407 20 30 BDEDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(C#N)o1)C2 ZINC000600772889 369565784 /nfs/dbraw/zinc/56/57/84/369565784.db2.gz KMPJQRZLFBIAHX-OKILXGFUSA-N 2 2 245.326 1.583 20 30 BDEDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000600772889 369565786 /nfs/dbraw/zinc/56/57/86/369565786.db2.gz KMPJQRZLFBIAHX-OKILXGFUSA-N 2 2 245.326 1.583 20 30 BDEDLP N#Cc1ccccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313361358 370581043 /nfs/dbraw/zinc/58/10/43/370581043.db2.gz TWGLOPRMVIXICP-AWEZNQCLSA-N 2 2 245.326 1.108 20 30 BDEDLP N#Cc1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313361358 370581047 /nfs/dbraw/zinc/58/10/47/370581047.db2.gz TWGLOPRMVIXICP-AWEZNQCLSA-N 2 2 245.326 1.108 20 30 BDEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227959 371415588 /nfs/dbraw/zinc/41/55/88/371415588.db2.gz CZVACYIMSBNLHX-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227959 371415594 /nfs/dbraw/zinc/41/55/94/371415594.db2.gz CZVACYIMSBNLHX-ZIAGYGMSSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339285 371488120 /nfs/dbraw/zinc/48/81/20/371488120.db2.gz NMRCTASTKWPBBZ-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C=CCCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339285 371488126 /nfs/dbraw/zinc/48/81/26/371488126.db2.gz NMRCTASTKWPBBZ-KBPBESRZSA-N 2 2 240.391 1.778 20 30 BDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000165159764 206139596 /nfs/dbraw/zinc/13/95/96/206139596.db2.gz NZIANTPSNXOYPM-NSHDSACASA-N 2 2 235.356 1.804 20 30 BDEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000165159764 206139601 /nfs/dbraw/zinc/13/96/01/206139601.db2.gz NZIANTPSNXOYPM-NSHDSACASA-N 2 2 235.356 1.804 20 30 BDEDLP C=CCCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000560218254 383975257 /nfs/dbraw/zinc/97/52/57/383975257.db2.gz QBKNKOQSCWAQSO-UHFFFAOYSA-N 2 2 248.374 1.884 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000135200433 384174961 /nfs/dbraw/zinc/17/49/61/384174961.db2.gz ANCIQEPXQIMOJW-QWRGUYRKSA-N 2 2 233.315 1.724 20 30 BDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000135200433 384174964 /nfs/dbraw/zinc/17/49/64/384174964.db2.gz ANCIQEPXQIMOJW-QWRGUYRKSA-N 2 2 233.315 1.724 20 30 BDEDLP C=C(Cl)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000299730180 384354077 /nfs/dbraw/zinc/35/40/77/384354077.db2.gz WQUZHWFAWDORRH-UHFFFAOYSA-N 2 2 213.712 1.958 20 30 BDEDLP C=C(Cl)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000299730180 384354084 /nfs/dbraw/zinc/35/40/84/384354084.db2.gz WQUZHWFAWDORRH-UHFFFAOYSA-N 2 2 213.712 1.958 20 30 BDEDLP Cn1cc(C[NH2+]CC[NH+]2CCCC2)cc1C#N ZINC000189578214 385164191 /nfs/dbraw/zinc/16/41/91/385164191.db2.gz VZKGZFKXZUIVJG-UHFFFAOYSA-N 2 2 232.331 1.082 20 30 BDEDLP N#C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000308865297 385230009 /nfs/dbraw/zinc/23/00/09/385230009.db2.gz FCASWWKWCVXDMW-RYUDHWBXSA-N 2 2 207.321 1.364 20 30 BDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460954 386123779 /nfs/dbraw/zinc/12/37/79/386123779.db2.gz VIRLKAWDWBBJEY-STQMWFEESA-N 2 2 233.359 1.706 20 30 BDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460954 386123785 /nfs/dbraw/zinc/12/37/85/386123785.db2.gz VIRLKAWDWBBJEY-STQMWFEESA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460954 386123789 /nfs/dbraw/zinc/12/37/89/386123789.db2.gz VIRLKAWDWBBJEY-STQMWFEESA-N 2 2 233.359 1.706 20 30 BDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C#N)CC3)CC[C@@H]21 ZINC000334460954 386123795 /nfs/dbraw/zinc/12/37/95/386123795.db2.gz VIRLKAWDWBBJEY-STQMWFEESA-N 2 2 233.359 1.706 20 30 BDEDLP Cc1cc(NC[C@@H](C)[NH+](C)C)c(C#N)c[nH+]1 ZINC000399605984 387036565 /nfs/dbraw/zinc/03/65/65/387036565.db2.gz VALWAYLRFFLPNE-SNVBAGLBSA-N 2 2 218.304 1.046 20 30 BDEDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C(C)(C)C#N ZINC000161423928 387210095 /nfs/dbraw/zinc/21/00/95/387210095.db2.gz WHBHFPRDSGQCRN-LBPRGKRZSA-N 2 2 232.331 1.958 20 30 BDEDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C(C)(C)C#N ZINC000161423928 387210099 /nfs/dbraw/zinc/21/00/99/387210099.db2.gz WHBHFPRDSGQCRN-LBPRGKRZSA-N 2 2 232.331 1.958 20 30 BDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C#N)CCC#N ZINC000572393343 387383302 /nfs/dbraw/zinc/38/33/02/387383302.db2.gz GEPMYTWFTLWVLZ-VXGBXAGGSA-N 2 2 231.303 1.305 20 30 BDEDLP C#CCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271209185 387442495 /nfs/dbraw/zinc/44/24/95/387442495.db2.gz HBYFFFYLQRKISY-CHWSQXEVSA-N 2 2 217.316 1.789 20 30 BDEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271209185 387442503 /nfs/dbraw/zinc/44/25/03/387442503.db2.gz HBYFFFYLQRKISY-CHWSQXEVSA-N 2 2 217.316 1.789 20 30 BDEDLP C=CCCC[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073423 387674690 /nfs/dbraw/zinc/67/46/90/387674690.db2.gz XXPHEOBXVRXCRX-UHFFFAOYSA-N 2 2 238.335 1.661 20 30 BDEDLP C=CCCC[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073423 387674702 /nfs/dbraw/zinc/67/47/02/387674702.db2.gz XXPHEOBXVRXCRX-UHFFFAOYSA-N 2 2 238.335 1.661 20 30 BDEDLP C=CCCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423045600 387855136 /nfs/dbraw/zinc/85/51/36/387855136.db2.gz CHZZBRAKOVFFDW-KGLIPLIRSA-N 2 2 238.375 1.699 20 30 BDEDLP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423105697 387891756 /nfs/dbraw/zinc/89/17/56/387891756.db2.gz ZINRFWRQPCUVGY-NEPJUHHUSA-N 2 2 221.348 1.800 20 30 BDEDLP C=C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423125454 387905216 /nfs/dbraw/zinc/90/52/16/387905216.db2.gz QLTUKCCKXHRQDN-JIMOISOXSA-N 2 2 218.300 1.268 20 30 BDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423166064 387949493 /nfs/dbraw/zinc/94/94/93/387949493.db2.gz CBXGFOZQBKNKPP-NWDGAFQWSA-N 2 2 239.363 1.283 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccncc1F ZINC000491118053 388270460 /nfs/dbraw/zinc/27/04/60/388270460.db2.gz BHCXOGJWIRIMFL-GFCCVEGCSA-N 2 2 249.333 1.826 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccncc1F ZINC000491118053 388270462 /nfs/dbraw/zinc/27/04/62/388270462.db2.gz BHCXOGJWIRIMFL-GFCCVEGCSA-N 2 2 249.333 1.826 20 30 BDEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(C)(C)C#N ZINC000308639009 388446283 /nfs/dbraw/zinc/44/62/83/388446283.db2.gz XUJCODBBALNLAC-UHFFFAOYSA-N 2 2 211.353 1.856 20 30 BDEDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423237468 388689848 /nfs/dbraw/zinc/68/98/48/388689848.db2.gz DJDULDFERSWTPN-LLVKDONJSA-N 2 2 217.316 1.818 20 30 BDEDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423321023 388691463 /nfs/dbraw/zinc/69/14/63/388691463.db2.gz HHEWEDLCSQSLQW-BDAKNGLRSA-N 2 2 221.279 1.695 20 30 BDEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000400470480 533453449 /nfs/dbraw/zinc/45/34/49/533453449.db2.gz XRCLEHQQJQEWFP-RISCZKNCSA-N 2 2 229.327 1.788 20 30 BDEDLP C=C(C)CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000351986711 134025999 /nfs/dbraw/zinc/02/59/99/134025999.db2.gz LNTLNQGDLNWRDB-UHFFFAOYSA-N 2 2 246.358 1.873 20 30 BDEDLP C=C(C)CNC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000370265364 134225399 /nfs/dbraw/zinc/22/53/99/134225399.db2.gz HEQJGBRKUCWUTJ-UHFFFAOYSA-N 2 2 247.346 1.409 20 30 BDEDLP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371203820 134227935 /nfs/dbraw/zinc/22/79/35/134227935.db2.gz DJCQGXULNACHHJ-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371203820 134227936 /nfs/dbraw/zinc/22/79/36/134227936.db2.gz DJCQGXULNACHHJ-CHWSQXEVSA-N 2 2 206.333 1.568 20 30 BDEDLP Cn1c[nH+]cc1CO[NH+]=C(N)C1CCCC1 ZINC000267804276 135155461 /nfs/dbraw/zinc/15/54/61/135155461.db2.gz QXXATEDKBSTZAN-UHFFFAOYSA-N 2 2 222.292 1.399 20 30 BDEDLP Cn1cc[nH+]c1N1CC[NH+](CCCCC#N)CC1 ZINC000269677415 135166421 /nfs/dbraw/zinc/16/64/21/135166421.db2.gz CTLTVEXIPLIOOA-UHFFFAOYSA-N 2 2 247.346 1.236 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120585234 135219452 /nfs/dbraw/zinc/21/94/52/135219452.db2.gz ISQHHKWPBGMULD-OLZOCXBDSA-N 2 2 238.375 1.794 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000120585234 135219453 /nfs/dbraw/zinc/21/94/53/135219453.db2.gz ISQHHKWPBGMULD-OLZOCXBDSA-N 2 2 238.375 1.794 20 30 BDEDLP C=CCOCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000382154094 397872586 /nfs/dbraw/zinc/87/25/86/397872586.db2.gz QQKWTNACYUWOSA-CYBMUJFWSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CCOCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000382154094 397872588 /nfs/dbraw/zinc/87/25/88/397872588.db2.gz QQKWTNACYUWOSA-CYBMUJFWSA-N 2 2 226.364 1.651 20 30 BDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537983 397920211 /nfs/dbraw/zinc/92/02/11/397920211.db2.gz WACBRIFKIXWJDB-RHYQMDGZSA-N 2 2 214.328 1.877 20 30 BDEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727492 398039263 /nfs/dbraw/zinc/03/92/63/398039263.db2.gz FHFXSBJWWHXPFH-SWLSCSKDSA-N 2 2 243.354 1.792 20 30 BDEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727492 398039265 /nfs/dbraw/zinc/03/92/65/398039265.db2.gz FHFXSBJWWHXPFH-SWLSCSKDSA-N 2 2 243.354 1.792 20 30 BDEDLP C#CCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000270987051 166128895 /nfs/dbraw/zinc/12/88/95/166128895.db2.gz DGFRMVDKJVABJV-UHFFFAOYSA-N 2 2 217.316 1.933 20 30 BDEDLP C=CCC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000175790885 166263888 /nfs/dbraw/zinc/26/38/88/166263888.db2.gz WKZGBVJERQFDSK-NSHDSACASA-N 2 2 239.388 1.671 20 30 BDEDLP C=CC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000079496523 166357224 /nfs/dbraw/zinc/35/72/24/166357224.db2.gz KBLKLKWXFTYELH-SNVBAGLBSA-N 2 2 225.361 1.281 20 30 BDEDLP C=CCOCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657429236 411507286 /nfs/dbraw/zinc/50/72/86/411507286.db2.gz HBEXKDDKPPGDSD-UHFFFAOYSA-N 2 2 221.304 1.122 20 30 BDEDLP C=CC[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662252265 412049350 /nfs/dbraw/zinc/04/93/50/412049350.db2.gz NHNMESSANZFIPC-OAHLLOKOSA-N 2 2 246.354 1.663 20 30 BDEDLP C=CC[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662252265 412049353 /nfs/dbraw/zinc/04/93/53/412049353.db2.gz NHNMESSANZFIPC-OAHLLOKOSA-N 2 2 246.354 1.663 20 30 BDEDLP Cc1cc(NCC[NH+]2CCCCC2)c(C#N)c[nH+]1 ZINC000399410787 267300143 /nfs/dbraw/zinc/30/01/43/267300143.db2.gz ZGWNNURFWWWAON-UHFFFAOYSA-N 2 2 244.342 1.581 20 30 BDEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925633542 646368852 /nfs/dbraw/zinc/36/88/52/646368852.db2.gz FDCOFSYWAMHQJG-RYUDHWBXSA-N 2 2 212.337 1.309 20 30 BDEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000571288376 323140397 /nfs/dbraw/zinc/14/03/97/323140397.db2.gz ZSLFIBHEBKXFIM-CQSZACIVSA-N 2 2 245.326 1.026 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccncn1 ZINC000396013887 323282615 /nfs/dbraw/zinc/28/26/15/323282615.db2.gz JAFNZFMYVTXBJV-GFCCVEGCSA-N 2 2 232.331 1.082 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccncn1 ZINC000396013887 323282617 /nfs/dbraw/zinc/28/26/17/323282617.db2.gz JAFNZFMYVTXBJV-GFCCVEGCSA-N 2 2 232.331 1.082 20 30 BDEDLP COCC#CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677478719 488047845 /nfs/dbraw/zinc/04/78/45/488047845.db2.gz CAWRCEDACIBNQX-CQSZACIVSA-N 2 2 238.375 1.442 20 30 BDEDLP COCC#CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677478719 488047850 /nfs/dbraw/zinc/04/78/50/488047850.db2.gz CAWRCEDACIBNQX-CQSZACIVSA-N 2 2 238.375 1.442 20 30 BDEDLP COCC#CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000677478719 488047855 /nfs/dbraw/zinc/04/78/55/488047855.db2.gz CAWRCEDACIBNQX-CQSZACIVSA-N 2 2 238.375 1.442 20 30 BDEDLP COCC#CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000677478719 488047859 /nfs/dbraw/zinc/04/78/59/488047859.db2.gz CAWRCEDACIBNQX-CQSZACIVSA-N 2 2 238.375 1.442 20 30 BDEDLP COCC#CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000677820250 487518895 /nfs/dbraw/zinc/51/88/95/487518895.db2.gz KOVMNAUJPUIAKR-CHWSQXEVSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000677820250 487518900 /nfs/dbraw/zinc/51/89/00/487518900.db2.gz KOVMNAUJPUIAKR-CHWSQXEVSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000677820250 487518903 /nfs/dbraw/zinc/51/89/03/487518903.db2.gz KOVMNAUJPUIAKR-CHWSQXEVSA-N 2 2 224.348 1.051 20 30 BDEDLP COCC#CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000677820250 487518907 /nfs/dbraw/zinc/51/89/07/487518907.db2.gz KOVMNAUJPUIAKR-CHWSQXEVSA-N 2 2 224.348 1.051 20 30 BDEDLP C=CCCn1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nn1 ZINC000655938385 490264544 /nfs/dbraw/zinc/26/45/44/490264544.db2.gz UQDTZWXCJYJIGS-RYUDHWBXSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nn1 ZINC000655938385 490264550 /nfs/dbraw/zinc/26/45/50/490264550.db2.gz UQDTZWXCJYJIGS-RYUDHWBXSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nn1 ZINC000655938022 491098759 /nfs/dbraw/zinc/09/87/59/491098759.db2.gz JGDDDGCNLCVIRQ-NWDGAFQWSA-N 2 2 249.362 1.023 20 30 BDEDLP C=CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nn1 ZINC000655938022 491098760 /nfs/dbraw/zinc/09/87/60/491098760.db2.gz JGDDDGCNLCVIRQ-NWDGAFQWSA-N 2 2 249.362 1.023 20 30 BDEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322381 491124321 /nfs/dbraw/zinc/12/43/21/491124321.db2.gz UTHKHTCRWODMHN-GJZGRUSLSA-N 2 2 226.323 1.189 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367848686 534442647 /nfs/dbraw/zinc/44/26/47/534442647.db2.gz KSZHSBYJTFQXAV-NSHDSACASA-N 2 2 214.740 1.767 20 30 BDEDLP C=C(Cl)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367848686 534442654 /nfs/dbraw/zinc/44/26/54/534442654.db2.gz KSZHSBYJTFQXAV-NSHDSACASA-N 2 2 214.740 1.767 20 30 BDEDLP C=C(Cl)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367848686 534442660 /nfs/dbraw/zinc/44/26/60/534442660.db2.gz KSZHSBYJTFQXAV-NSHDSACASA-N 2 2 214.740 1.767 20 30 BDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367848686 534442666 /nfs/dbraw/zinc/44/26/66/534442666.db2.gz KSZHSBYJTFQXAV-NSHDSACASA-N 2 2 214.740 1.767 20 30 BDEDLP CC#CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000119633284 534709599 /nfs/dbraw/zinc/70/95/99/534709599.db2.gz TVMOFIWUIQNFJI-UHFFFAOYSA-N 2 2 203.289 1.543 20 30 BDEDLP C=CCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000304218136 534734593 /nfs/dbraw/zinc/73/45/93/534734593.db2.gz GUEAWMTVZKLDCU-UHFFFAOYSA-N 2 2 222.336 1.542 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000086500158 536344365 /nfs/dbraw/zinc/34/43/65/536344365.db2.gz VZOPEIDATXGEJK-UHFFFAOYSA-N 2 2 235.356 1.804 20 30 BDEDLP N#Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000892251932 582814173 /nfs/dbraw/zinc/81/41/73/582814173.db2.gz MJNGHGGUGCJRNJ-GHMZBOCLSA-N 2 2 233.340 1.271 20 30 BDEDLP C[NH+]1CCC(C[N@@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000893930111 583250980 /nfs/dbraw/zinc/25/09/80/583250980.db2.gz QBTGZWVXUANWEG-LBPRGKRZSA-N 2 2 225.311 1.266 20 30 BDEDLP C[NH+]1CCC(C[N@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000893930111 583250983 /nfs/dbraw/zinc/25/09/83/583250983.db2.gz QBTGZWVXUANWEG-LBPRGKRZSA-N 2 2 225.311 1.266 20 30 BDEDLP C=CCC1([NH2+]Cc2c[nH+]c[nH]2)CCOCC1 ZINC000895258383 583634142 /nfs/dbraw/zinc/63/41/42/583634142.db2.gz DMJUXCABRBVSDD-UHFFFAOYSA-N 2 2 221.304 1.625 20 30 BDEDLP C#CC[NH+]1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000895808660 583729434 /nfs/dbraw/zinc/72/94/34/583729434.db2.gz LWAXQHSBTAOHGJ-UHFFFAOYSA-N 2 2 230.315 1.295 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000903464371 584767363 /nfs/dbraw/zinc/76/73/63/584767363.db2.gz KTBCJDKIZRNBSO-WOPDTQHZSA-N 2 2 207.321 1.077 20 30 BDEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000903464371 584767365 /nfs/dbraw/zinc/76/73/65/584767365.db2.gz KTBCJDKIZRNBSO-WOPDTQHZSA-N 2 2 207.321 1.077 20 30 BDEDLP CC[N@H+](CC[NH3+])Cc1cc(Cl)cc(C#N)c1 ZINC000903473074 584776273 /nfs/dbraw/zinc/77/62/73/584776273.db2.gz ZNARHVGVRCSNHU-UHFFFAOYSA-N 2 2 237.734 1.992 20 30 BDEDLP CC[N@@H+](CC[NH3+])Cc1cc(Cl)cc(C#N)c1 ZINC000903473074 584776274 /nfs/dbraw/zinc/77/62/74/584776274.db2.gz ZNARHVGVRCSNHU-UHFFFAOYSA-N 2 2 237.734 1.992 20 30 BDEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1CC)C1CCOCC1 ZINC000827555275 584899368 /nfs/dbraw/zinc/89/93/68/584899368.db2.gz QWJGPXLQQAKOGM-CQSZACIVSA-N 2 2 247.342 1.421 20 30 BDEDLP C#Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000839149169 585092349 /nfs/dbraw/zinc/09/23/49/585092349.db2.gz ONLACVCFYBUQHB-UHFFFAOYSA-N 2 2 239.322 1.734 20 30 BDEDLP C#C[C@H]([NH2+]CCC[NH+](CC)CC)[C@H]1CCCO1 ZINC000755055726 585293803 /nfs/dbraw/zinc/29/38/03/585293803.db2.gz MUJLKVRUTZCGID-UONOGXRCSA-N 2 2 238.375 1.489 20 30 BDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027488 585569810 /nfs/dbraw/zinc/56/98/10/585569810.db2.gz UEDPHUHZMMVGLH-OLZOCXBDSA-N 2 2 249.358 1.537 20 30 BDEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027488 585569811 /nfs/dbraw/zinc/56/98/11/585569811.db2.gz UEDPHUHZMMVGLH-OLZOCXBDSA-N 2 2 249.358 1.537 20 30 BDEDLP Cc1cc[nH+]cc1CCC=[NH+]n1cnnc1 ZINC000776722535 585703377 /nfs/dbraw/zinc/70/33/77/585703377.db2.gz SGDPROUDXAMCOZ-UHFFFAOYSA-N 2 2 215.260 1.448 20 30 BDEDLP C[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783299435 585833343 /nfs/dbraw/zinc/83/33/43/585833343.db2.gz CCOOYYYIEXLPMI-UHFFFAOYSA-N 2 2 230.315 1.137 20 30 BDEDLP CN(C)c1cc[nH+]cc1C=[NH+]OCC1CC1 ZINC000814241449 586619347 /nfs/dbraw/zinc/61/93/47/586619347.db2.gz KVGOHGIGNSUJCU-UHFFFAOYSA-N 2 2 219.288 1.908 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000815651987 586690232 /nfs/dbraw/zinc/69/02/32/586690232.db2.gz LAJSNJGPOKJDGI-ZDUSSCGKSA-N 2 2 248.374 1.334 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000815651987 586690233 /nfs/dbraw/zinc/69/02/33/586690233.db2.gz LAJSNJGPOKJDGI-ZDUSSCGKSA-N 2 2 248.374 1.334 20 30 BDEDLP NC(=[NH2+])N[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817323050 586794260 /nfs/dbraw/zinc/79/42/60/586794260.db2.gz QVANAVFJOHYWJH-UHFFFAOYSA-N 2 2 231.303 1.182 20 30 BDEDLP C#C[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000847019941 588302316 /nfs/dbraw/zinc/30/23/16/588302316.db2.gz TTXSOQIJGKQMQI-LBPRGKRZSA-N 2 2 217.316 1.308 20 30 BDEDLP C#C[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000847019941 588302317 /nfs/dbraw/zinc/30/23/17/588302317.db2.gz TTXSOQIJGKQMQI-LBPRGKRZSA-N 2 2 217.316 1.308 20 30 BDEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848911373 588419515 /nfs/dbraw/zinc/41/95/15/588419515.db2.gz VJJNJEUJAVWENY-GXTWGEPZSA-N 2 2 236.359 1.241 20 30 BDEDLP C=C(Cl)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852750609 588700125 /nfs/dbraw/zinc/70/01/25/588700125.db2.gz ZZUJAWBQLDLTLF-NSHDSACASA-N 2 2 214.740 1.814 20 30 BDEDLP C=C(Cl)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852750609 588700126 /nfs/dbraw/zinc/70/01/26/588700126.db2.gz ZZUJAWBQLDLTLF-NSHDSACASA-N 2 2 214.740 1.814 20 30 BDEDLP C=CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000121179781 589512294 /nfs/dbraw/zinc/51/22/94/589512294.db2.gz HIYAITMEESNWDN-UHFFFAOYSA-N 2 2 228.299 1.885 20 30 BDEDLP C=CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000121179781 589512296 /nfs/dbraw/zinc/51/22/96/589512296.db2.gz HIYAITMEESNWDN-UHFFFAOYSA-N 2 2 228.299 1.885 20 30 BDEDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000872141691 589877975 /nfs/dbraw/zinc/87/79/75/589877975.db2.gz ONPMOULRRNOWCR-LBPRGKRZSA-N 2 2 221.304 1.614 20 30 BDEDLP C[C@@](C[NH3+])([NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000872141527 589882687 /nfs/dbraw/zinc/88/26/87/589882687.db2.gz KSJVETVIZLVMKG-LBPRGKRZSA-N 2 2 219.288 1.368 20 30 BDEDLP C[C@@H]1C[N@H+](CCC#N)CCN1c1cc[nH+]cc1 ZINC000880261967 590980781 /nfs/dbraw/zinc/98/07/81/590980781.db2.gz PLKVKJOAJFPSGY-GFCCVEGCSA-N 2 2 230.315 1.506 20 30 BDEDLP C[C@@H]1C[N@@H+](CCC#N)CCN1c1cc[nH+]cc1 ZINC000880261967 590980784 /nfs/dbraw/zinc/98/07/84/590980784.db2.gz PLKVKJOAJFPSGY-GFCCVEGCSA-N 2 2 230.315 1.506 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)nc1C ZINC000883131337 591546470 /nfs/dbraw/zinc/54/64/70/591546470.db2.gz WRBBFJFXVQEYDH-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)nc1C ZINC000883131337 591546474 /nfs/dbraw/zinc/54/64/74/591546474.db2.gz WRBBFJFXVQEYDH-UHFFFAOYSA-N 2 2 249.333 1.574 20 30 BDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(F)c1N ZINC000883131000 591547001 /nfs/dbraw/zinc/54/70/01/591547001.db2.gz AIZQTPFEBATWJM-UHFFFAOYSA-N 2 2 249.333 1.453 20 30 BDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1N ZINC000883131000 591547003 /nfs/dbraw/zinc/54/70/03/591547003.db2.gz AIZQTPFEBATWJM-UHFFFAOYSA-N 2 2 249.333 1.453 20 30 BDEDLP N#Cc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)o1 ZINC000883460437 591674705 /nfs/dbraw/zinc/67/47/05/591674705.db2.gz XEXJFLNCRYDMEB-UHFFFAOYSA-N 2 2 245.326 1.869 20 30 BDEDLP N#Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)o1 ZINC000883460437 591674706 /nfs/dbraw/zinc/67/47/06/591674706.db2.gz XEXJFLNCRYDMEB-UHFFFAOYSA-N 2 2 245.326 1.869 20 30 BDEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246099644 987419782 /nfs/dbraw/zinc/41/97/82/987419782.db2.gz RRDRTIJNIFEWSP-QJPTWQEYSA-N 2 2 209.337 1.656 20 30 BDEDLP C=CC[C@H]1CC[N@H+]1CCc1c[nH+]cn1C ZINC000934460766 631849682 /nfs/dbraw/zinc/84/96/82/631849682.db2.gz QYDNLPHYHUWJGI-NSHDSACASA-N 2 2 205.305 1.613 20 30 BDEDLP C=CC[C@H]1CC[N@@H+]1CCc1c[nH+]cn1C ZINC000934460766 631849687 /nfs/dbraw/zinc/84/96/87/631849687.db2.gz QYDNLPHYHUWJGI-NSHDSACASA-N 2 2 205.305 1.613 20 30 BDEDLP C=CC[C@H]1CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000934462627 631855066 /nfs/dbraw/zinc/85/50/66/631855066.db2.gz YUOAOGNCZCCMJF-LBPRGKRZSA-N 2 2 205.305 1.924 20 30 BDEDLP C=CC[C@H]1CC[N@H+]1CCCn1cc[nH+]c1 ZINC000934462627 631855069 /nfs/dbraw/zinc/85/50/69/631855069.db2.gz YUOAOGNCZCCMJF-LBPRGKRZSA-N 2 2 205.305 1.924 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925619606 634176862 /nfs/dbraw/zinc/17/68/62/634176862.db2.gz POGZIHGCLRFABO-GFCCVEGCSA-N 2 2 224.348 1.453 20 30 BDEDLP C=CCOCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314551 640149587 /nfs/dbraw/zinc/14/95/87/640149587.db2.gz PFHUWSYUSXLCMV-ZIAGYGMSSA-N 2 2 238.375 1.463 20 30 BDEDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430222 640199641 /nfs/dbraw/zinc/19/96/41/640199641.db2.gz MVHVESIJHHBKGX-MCIONIFRSA-N 2 2 246.358 1.313 20 30 BDEDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430222 640199647 /nfs/dbraw/zinc/19/96/47/640199647.db2.gz MVHVESIJHHBKGX-MCIONIFRSA-N 2 2 246.358 1.313 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430222 640199649 /nfs/dbraw/zinc/19/96/49/640199649.db2.gz MVHVESIJHHBKGX-MCIONIFRSA-N 2 2 246.358 1.313 20 30 BDEDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430222 640199654 /nfs/dbraw/zinc/19/96/54/640199654.db2.gz MVHVESIJHHBKGX-MCIONIFRSA-N 2 2 246.358 1.313 20 30 BDEDLP C=CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513434 640241289 /nfs/dbraw/zinc/24/12/89/640241289.db2.gz XDSWEWIDZDFADR-UHFFFAOYSA-N 2 2 203.289 1.598 20 30 BDEDLP C=CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513434 640241291 /nfs/dbraw/zinc/24/12/91/640241291.db2.gz XDSWEWIDZDFADR-UHFFFAOYSA-N 2 2 203.289 1.598 20 30 BDEDLP C=CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000917068821 642001514 /nfs/dbraw/zinc/00/15/14/642001514.db2.gz DIOLIDOZODQVNT-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000917068821 642001517 /nfs/dbraw/zinc/00/15/17/642001517.db2.gz DIOLIDOZODQVNT-ZDUSSCGKSA-N 2 2 226.364 1.340 20 30 BDEDLP C=C(C)COCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925620347 646368033 /nfs/dbraw/zinc/36/80/33/646368033.db2.gz UQGVPHDDEMRZPY-NSHDSACASA-N 2 2 212.337 1.309 20 30 BDEDLP C[C@H]([NH3+])[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000925633300 646377914 /nfs/dbraw/zinc/37/79/14/646377914.db2.gz DGKYEDQALIVMAO-AAEUAGOBSA-N 2 2 217.316 1.968 20 30 BDEDLP C=C(C)COCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396614524 711361348 /nfs/dbraw/zinc/36/13/48/711361348.db2.gz FTSIZKCQPAZSNG-NWDGAFQWSA-N 2 2 212.337 1.309 20 30 BDEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCC#N ZINC000720354116 712833066 /nfs/dbraw/zinc/83/30/66/712833066.db2.gz XBHNKBSSEVVBGV-STQMWFEESA-N 2 2 221.348 1.849 20 30 BDEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCC#N ZINC000720354116 712833067 /nfs/dbraw/zinc/83/30/67/712833067.db2.gz XBHNKBSSEVVBGV-STQMWFEESA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCC#N ZINC000720354116 712833068 /nfs/dbraw/zinc/83/30/68/712833068.db2.gz XBHNKBSSEVVBGV-STQMWFEESA-N 2 2 221.348 1.849 20 30 BDEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCC#N ZINC000720354116 712833069 /nfs/dbraw/zinc/83/30/69/712833069.db2.gz XBHNKBSSEVVBGV-STQMWFEESA-N 2 2 221.348 1.849 20 30 BDEDLP