smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCCCCCCO)c(C#N)c(C)[nH+]1 ZINC000224477626 178157963 /nfs/dbraw/zinc/15/79/63/178157963.db2.gz PXHPJZPHRHPIAK-UHFFFAOYSA-N 1 2 247.342 2.535 10 30 BFEELO Cc1cc(OCCC/C(N)=[NH+]/O)ccc1Cl ZINC000019815210 178209212 /nfs/dbraw/zinc/20/92/12/178209212.db2.gz XANXKYIUHJGFFS-UHFFFAOYSA-N 1 2 242.706 2.554 10 30 BFEELO Cc1cc(N(C)CC(C)C)c(C#N)c(C)[nH+]1 ZINC000157387482 398250303 /nfs/dbraw/zinc/25/03/03/398250303.db2.gz JVYNOQWRDDCMLD-UHFFFAOYSA-N 1 2 217.316 2.662 10 30 BFEELO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)o1 ZINC000054829808 398283458 /nfs/dbraw/zinc/28/34/58/398283458.db2.gz WWLYLELORLOXRV-WCQYABFASA-N 1 2 218.300 2.760 10 30 BFEELO CC(C)CCC#C[C@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000013795262 343104421 /nfs/dbraw/zinc/10/44/21/343104421.db2.gz OWZPODIBWTYIFN-NWDGAFQWSA-N 1 2 202.301 2.953 10 30 BFEELO CC(C)CCC#C[C@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000013795262 343104422 /nfs/dbraw/zinc/10/44/22/343104422.db2.gz OWZPODIBWTYIFN-NWDGAFQWSA-N 1 2 202.301 2.953 10 30 BFEELO C[C@H](C#N)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000042461060 343439350 /nfs/dbraw/zinc/43/93/50/343439350.db2.gz UOYFPFBWAHYNFX-GFCCVEGCSA-N 1 2 239.322 2.826 10 30 BFEELO C[C@H](C#N)C[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000042461060 343439352 /nfs/dbraw/zinc/43/93/52/343439352.db2.gz UOYFPFBWAHYNFX-GFCCVEGCSA-N 1 2 239.322 2.826 10 30 BFEELO Cc1cc(NCc2cscn2)c(C#N)c(C)[nH+]1 ZINC000157438203 133486135 /nfs/dbraw/zinc/48/61/35/133486135.db2.gz KJLACGYKLQVHNM-UHFFFAOYSA-N 1 2 244.323 2.639 10 30 BFEELO Cc1ccccc1N(C)CC[C@@H](C#N)[NH2+]C(C)C ZINC000062438458 179295165 /nfs/dbraw/zinc/29/51/65/179295165.db2.gz BKHGQQLLBGECLJ-AWEZNQCLSA-N 1 2 245.370 2.712 10 30 BFEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000595688539 348314228 /nfs/dbraw/zinc/31/42/28/348314228.db2.gz FUOHIMBMZXSLGN-ZWNOBZJWSA-N 1 2 249.745 2.907 10 30 BFEELO Cc1cc[nH+]cc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000185868480 349375217 /nfs/dbraw/zinc/37/52/17/349375217.db2.gz SAAFSLSWEBDPTJ-NWDGAFQWSA-N 1 2 215.300 2.884 10 30 BFEELO C#CCCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000160821159 353273318 /nfs/dbraw/zinc/27/33/18/353273318.db2.gz DKPHIZRMZKDQEW-UHFFFAOYSA-N 1 2 227.311 2.786 10 30 BFEELO CC(C)(C)c1ccc(OCC[C@@H]([NH3+])C#N)cc1 ZINC000019666614 188281898 /nfs/dbraw/zinc/28/18/98/188281898.db2.gz ZYTMNLDHJHSVHI-GFCCVEGCSA-N 1 2 232.327 2.604 10 30 BFEELO CC(C)C[C@@H](C#N)[NH2+]CCc1cccs1 ZINC000057515290 188301694 /nfs/dbraw/zinc/30/16/94/188301694.db2.gz NUCFSDXQJRIPIY-NSHDSACASA-N 1 2 222.357 2.818 10 30 BFEELO N#C[C@@H](Cc1ccccc1)[NH+]1CCCCCC1 ZINC000038086140 181055083 /nfs/dbraw/zinc/05/50/83/181055083.db2.gz UJORXXCHGIVEBM-OAHLLOKOSA-N 1 2 228.339 2.997 10 30 BFEELO N#C[C@H]([NH3+])CCSc1nc2ccccc2s1 ZINC000062452692 181064345 /nfs/dbraw/zinc/06/43/45/181064345.db2.gz HELVSEGHZVNWIS-MRVPVSSYSA-N 1 2 249.364 2.629 10 30 BFEELO N#C[C@H]([NH3+])COc1ccc(-c2ccccc2)cc1 ZINC000019666000 181065134 /nfs/dbraw/zinc/06/51/34/181065134.db2.gz VLOFOWXJUAUJST-AWEZNQCLSA-N 1 2 238.290 2.583 10 30 BFEELO N#C[C@H]1CCC[C@H]1[N@H+](Cc1ccco1)C1CC1 ZINC000042692999 181069355 /nfs/dbraw/zinc/06/93/55/181069355.db2.gz FSXXAAISZIBNIU-BXUZGUMPSA-N 1 2 230.311 2.936 10 30 BFEELO N#C[C@H]1CCC[C@H]1[N@@H+](Cc1ccco1)C1CC1 ZINC000042692999 181069356 /nfs/dbraw/zinc/06/93/56/181069356.db2.gz FSXXAAISZIBNIU-BXUZGUMPSA-N 1 2 230.311 2.936 10 30 BFEELO N#Cc1ccc(NCCn2cc[nH+]c2)c(Cl)c1 ZINC000062791041 181122603 /nfs/dbraw/zinc/12/26/03/181122603.db2.gz IADAFEXDAYXRKH-UHFFFAOYSA-N 1 2 246.701 2.520 10 30 BFEELO N#Cc1ccccc1CSc1ccc(N)[nH+]c1 ZINC000037192028 181146870 /nfs/dbraw/zinc/14/68/70/181146870.db2.gz QPQBXRGQGCNLNW-UHFFFAOYSA-N 1 2 241.319 2.828 10 30 BFEELO C[C@@H]1CC[N@@H+](C(C)(C)C#N)CC12CCC2 ZINC000336138531 134096767 /nfs/dbraw/zinc/09/67/67/134096767.db2.gz YISPTVOZUBVRGT-LLVKDONJSA-N 1 2 206.333 2.801 10 30 BFEELO C[C@@H]1CC[N@H+](C(C)(C)C#N)CC12CCC2 ZINC000336138531 134096768 /nfs/dbraw/zinc/09/67/68/134096768.db2.gz YISPTVOZUBVRGT-LLVKDONJSA-N 1 2 206.333 2.801 10 30 BFEELO Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000230686497 357550171 /nfs/dbraw/zinc/55/01/71/357550171.db2.gz HXBBHGMJVBMPGB-RISCZKNCSA-N 1 2 232.302 2.916 10 30 BFEELO C[C@H]1CC[C@@]2(CC[N@@H+](C(C)(C)C#N)C2)C1 ZINC000118968376 134223948 /nfs/dbraw/zinc/22/39/48/134223948.db2.gz OTQHONNTMLILJZ-WCQYABFASA-N 1 2 206.333 2.801 10 30 BFEELO C[C@H]1CC[C@@]2(CC[N@H+](C(C)(C)C#N)C2)C1 ZINC000118968376 134223949 /nfs/dbraw/zinc/22/39/49/134223949.db2.gz OTQHONNTMLILJZ-WCQYABFASA-N 1 2 206.333 2.801 10 30 BFEELO C[C@H]1CC[C@]2(CC[N@@H+](C(C)(C)C#N)C2)C1 ZINC000118968156 134224111 /nfs/dbraw/zinc/22/41/11/134224111.db2.gz OTQHONNTMLILJZ-AAEUAGOBSA-N 1 2 206.333 2.801 10 30 BFEELO C[C@H]1CC[C@]2(CC[N@H+](C(C)(C)C#N)C2)C1 ZINC000118968156 134224112 /nfs/dbraw/zinc/22/41/12/134224112.db2.gz OTQHONNTMLILJZ-AAEUAGOBSA-N 1 2 206.333 2.801 10 30 BFEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121817524 134235774 /nfs/dbraw/zinc/23/57/74/134235774.db2.gz VNJFIFKHPKWUQW-LLVKDONJSA-N 1 2 225.723 2.689 10 30 BFEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121817524 134235775 /nfs/dbraw/zinc/23/57/75/134235775.db2.gz VNJFIFKHPKWUQW-LLVKDONJSA-N 1 2 225.723 2.689 10 30 BFEELO C[C@H](C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000047915474 358607269 /nfs/dbraw/zinc/60/72/69/358607269.db2.gz DFCBCYCKPBXNNE-CYBMUJFWSA-N 1 2 228.339 2.853 10 30 BFEELO Cc1cc(NCc2cccnc2)c(C#N)c(C)[nH+]1 ZINC000212669116 358609673 /nfs/dbraw/zinc/60/96/73/358609673.db2.gz GZOKIBNCAQHTQN-UHFFFAOYSA-N 1 2 238.294 2.577 10 30 BFEELO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)c1ccccn1 ZINC000160848909 358965308 /nfs/dbraw/zinc/96/53/08/358965308.db2.gz LLGVQDZFVUJQTH-SGMGOOAPSA-N 1 2 229.327 2.815 10 30 BFEELO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247554377 359234163 /nfs/dbraw/zinc/23/41/63/359234163.db2.gz SWKOALBXSIYDBK-OLZOCXBDSA-N 1 2 243.310 2.860 10 30 BFEELO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000247554377 359234166 /nfs/dbraw/zinc/23/41/66/359234166.db2.gz SWKOALBXSIYDBK-OLZOCXBDSA-N 1 2 243.310 2.860 10 30 BFEELO C[C@@H]1CCC[C@H](SC[C@@](C)([NH3+])C#N)C1 ZINC000226537200 370573084 /nfs/dbraw/zinc/57/30/84/370573084.db2.gz RQXRABCSZYTCPN-VWYCJHECSA-N 1 2 212.362 2.539 10 30 BFEELO Cc1cc(N2CCCCCC2)c(C#N)c(C)[nH+]1 ZINC000156533733 371442733 /nfs/dbraw/zinc/44/27/33/371442733.db2.gz LAADILWKERXUCG-UHFFFAOYSA-N 1 2 229.327 2.951 10 30 BFEELO CCC[NH2+][C@H](C#N)CCN(CC)c1ccccc1 ZINC000062369385 169284044 /nfs/dbraw/zinc/28/40/44/169284044.db2.gz NFWYYKOKYHZCSZ-AWEZNQCLSA-N 1 2 245.370 2.795 10 30 BFEELO CCC[NH2+][C@H](C#N)CCN(C)c1ccc(F)cc1 ZINC000062438155 169284192 /nfs/dbraw/zinc/28/41/92/169284192.db2.gz OVPMQFABQMGMMI-ZDUSSCGKSA-N 1 2 249.333 2.544 10 30 BFEELO Cc1cc(NCc2ccccn2)c(C#N)c(C)[nH+]1 ZINC000157378153 384383414 /nfs/dbraw/zinc/38/34/14/384383414.db2.gz LMTOCIHRVUMABF-UHFFFAOYSA-N 1 2 238.294 2.577 10 30 BFEELO C[C@H]1CSC(Nc2ccc(F)cc2)=[NH+]1 ZINC000035294939 387070149 /nfs/dbraw/zinc/07/01/49/387070149.db2.gz LTEXBCSUMNGGNR-ZETCQYMHSA-N 1 2 210.277 2.538 10 30 BFEELO C[C@@H]([NH2+]CCC#N)c1cc(F)ccc1F ZINC000020199866 388527147 /nfs/dbraw/zinc/52/71/47/388527147.db2.gz YXFTUBOYBDCEPT-MRVPVSSYSA-N 1 2 210.227 2.529 10 30 BFEELO C[C@@H](C#N)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181917148 134340696 /nfs/dbraw/zinc/34/06/96/134340696.db2.gz RHCFPBIWQYPYKX-SWLSCSKDSA-N 1 2 243.354 2.802 10 30 BFEELO C[C@@H](C#N)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181917148 134340697 /nfs/dbraw/zinc/34/06/97/134340697.db2.gz RHCFPBIWQYPYKX-SWLSCSKDSA-N 1 2 243.354 2.802 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000342785755 135318410 /nfs/dbraw/zinc/31/84/10/135318410.db2.gz SLCFTQYGPDWZRB-ZYHUDNBSSA-N 1 2 247.367 2.802 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000061891084 398108071 /nfs/dbraw/zinc/10/80/71/398108071.db2.gz STDOXWUPIPTMGJ-RNCFNFMXSA-N 1 2 236.265 2.747 10 30 BFEELO CC(C)C[NH2+][C@@]1(C#N)CCc2ccccc2C1 ZINC000037939306 167012608 /nfs/dbraw/zinc/01/26/08/167012608.db2.gz SBUFYCDPOJBLSD-HNNXBMFYSA-N 1 2 228.339 2.683 10 30 BFEELO CC(C)[NH2+][C@H](C#N)CCO[C@@H]1CCC[C@@H](C)C1 ZINC000062441503 167136470 /nfs/dbraw/zinc/13/64/70/167136470.db2.gz OXPRURQALMQZFW-HZSPNIEDSA-N 1 2 238.375 2.862 10 30 BFEELO CC[C@H](C)C[C@@](C#N)(CC)[NH2+]C[C@@H]1CCCO1 ZINC000037939841 171296963 /nfs/dbraw/zinc/29/69/63/171296963.db2.gz OVOGUXASHJOGHJ-MELADBBJSA-N 1 2 238.375 2.864 10 30 BFEELO COc1ccccc1C[C@](C)(C#N)[NH2+]CC1CC1 ZINC000037947002 175333825 /nfs/dbraw/zinc/33/38/25/175333825.db2.gz PLGVBUASWXPFKA-OAHLLOKOSA-N 1 2 244.338 2.520 10 30 BFEELO C[C@H](c1ccccc1)[C@H](C#N)[NH+]1CCCC1 ZINC000041046496 177040212 /nfs/dbraw/zinc/04/02/12/177040212.db2.gz XEWMUCIOJKCBNV-OCCSQVGLSA-N 1 2 214.312 2.778 10 30 BFEELO CC(C)C(O)=C([N+]#N)C(=O)Oc1ccccc1 ZINC000584646109 491071130 /nfs/dbraw/zinc/07/11/30/491071130.db2.gz KVLXSBNAWBQUEF-UHFFFAOYSA-O 1 2 233.247 2.871 10 30 BFEELO Cc1cc(Cl)ccc1NC1=[NH+]CCS1 ZINC000013858464 178064779 /nfs/dbraw/zinc/06/47/79/178064779.db2.gz GTAYXLDODNXXPG-UHFFFAOYSA-N 1 2 226.732 2.972 10 30 BFEELO Cc1cc(NCCCOC(C)C)c(C#N)c(C)[nH+]1 ZINC000301763429 178160582 /nfs/dbraw/zinc/16/05/82/178160582.db2.gz GPEWKLHWEAMFGJ-UHFFFAOYSA-N 1 2 247.342 2.797 10 30 BFEELO Cc1ccc(C#N)cc1NCCCn1cc[nH+]c1 ZINC000050430125 178367409 /nfs/dbraw/zinc/36/74/09/178367409.db2.gz VDOFMWNBESHTHE-UHFFFAOYSA-N 1 2 240.310 2.565 10 30 BFEELO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)o1 ZINC000054829802 398283465 /nfs/dbraw/zinc/28/34/65/398283465.db2.gz WWLYLELORLOXRV-DGCLKSJQSA-N 1 2 218.300 2.760 10 30 BFEELO CC(C)[C@@H](C)[NH2+][C@@H](C#N)Cc1ccccc1 ZINC000381511560 344514722 /nfs/dbraw/zinc/51/47/22/344514722.db2.gz RDCBDMIPPWPVBR-TZMCWYRMSA-N 1 2 216.328 2.755 10 30 BFEELO CC#CCC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000155331906 187296916 /nfs/dbraw/zinc/29/69/16/187296916.db2.gz SYXMOPUNOGGRHH-GFCCVEGCSA-N 1 2 247.342 2.743 10 30 BFEELO CC#CCC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000155331906 187296917 /nfs/dbraw/zinc/29/69/17/187296917.db2.gz SYXMOPUNOGGRHH-GFCCVEGCSA-N 1 2 247.342 2.743 10 30 BFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCCS[C@H]1C ZINC000251348492 362865033 /nfs/dbraw/zinc/86/50/33/362865033.db2.gz LZBGFKLHOPTWBQ-DCAQKATOSA-N 1 2 212.362 2.552 10 30 BFEELO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C#N)sc1C ZINC000595688983 348314643 /nfs/dbraw/zinc/31/46/43/348314643.db2.gz JQUWLSDSZWPDDI-RYUDHWBXSA-N 1 2 249.383 2.932 10 30 BFEELO Cc1cc[nH+]cc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000185868531 349376292 /nfs/dbraw/zinc/37/62/92/349376292.db2.gz SAAFSLSWEBDPTJ-NEPJUHHUSA-N 1 2 215.300 2.884 10 30 BFEELO Cc1ccnc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000328151592 350376689 /nfs/dbraw/zinc/37/66/89/350376689.db2.gz FLDYIUUQHFWWQX-TZMCWYRMSA-N 1 2 229.327 2.562 10 30 BFEELO C=C(Br)CSc1ccc(N)[nH+]c1 ZINC000037681584 188325460 /nfs/dbraw/zinc/32/54/60/188325460.db2.gz GFAKAJHLJKQKJI-UHFFFAOYSA-N 1 2 245.145 2.665 10 30 BFEELO N#C[C@@H]([NH3+])CCSc1ccccc1Cl ZINC000062453703 181055596 /nfs/dbraw/zinc/05/55/96/181055596.db2.gz DWWHPGAROAZHDQ-QMMMGPOBSA-N 1 2 226.732 2.673 10 30 BFEELO N#C[C@H]([NH3+])CCSc1ccccc1Cl ZINC000062453706 181064930 /nfs/dbraw/zinc/06/49/30/181064930.db2.gz DWWHPGAROAZHDQ-MRVPVSSYSA-N 1 2 226.732 2.673 10 30 BFEELO Cc1cc(NC2CCCC2)c(C#N)c(C)[nH+]1 ZINC000087969408 356383428 /nfs/dbraw/zinc/38/34/28/356383428.db2.gz FTVCLLHZGBDLNQ-UHFFFAOYSA-N 1 2 215.300 2.925 10 30 BFEELO [NH3+][C@@H](/C(=N/O)c1ccccc1)c1ccccc1 ZINC000584603715 358262401 /nfs/dbraw/zinc/26/24/01/358262401.db2.gz KCVKKSLEPBLAEF-ZPTIMJQQSA-N 1 2 226.279 2.565 10 30 BFEELO N#C[C@H]([NH3+])Cc1ccc2cccc(Cl)c2c1 ZINC000584626803 358296150 /nfs/dbraw/zinc/29/61/50/358296150.db2.gz POJPZHCANNNUPA-LLVKDONJSA-N 1 2 230.698 2.887 10 30 BFEELO C#Cc1c(C)[nH+]c2ccc(C(F)(F)F)cn12 ZINC000584631948 358314161 /nfs/dbraw/zinc/31/41/61/358314161.db2.gz BEZCTKSDKIADGN-UHFFFAOYSA-N 1 2 224.185 2.643 10 30 BFEELO C[C@H]([NH2+]CC#CC(C)(C)C)C(C)(F)F ZINC000306563654 360441795 /nfs/dbraw/zinc/44/17/95/360441795.db2.gz VVOPZRYJIFXSIT-VIFPVBQESA-N 1 2 203.276 2.669 10 30 BFEELO CC[C@@H](C#N)[N@@H+]1CCC[C@@H](SC)CC1 ZINC000300804598 360512475 /nfs/dbraw/zinc/51/24/75/360512475.db2.gz GBISNICEHJCCIZ-WDEREUQCSA-N 1 2 212.362 2.506 10 30 BFEELO CC[C@@H](C#N)[N@H+]1CCC[C@@H](SC)CC1 ZINC000300804598 360512481 /nfs/dbraw/zinc/51/24/81/360512481.db2.gz GBISNICEHJCCIZ-WDEREUQCSA-N 1 2 212.362 2.506 10 30 BFEELO C=CCc1cc(F)cc(Cn2cc[nH+]c2)c1 ZINC000667942343 541433749 /nfs/dbraw/zinc/43/37/49/541433749.db2.gz LODAXUNNBAKCLP-UHFFFAOYSA-N 1 2 216.259 2.799 10 30 BFEELO CCC[NH2+][C@H](C#N)CCOc1ccc(C)cc1C ZINC000062445435 169284384 /nfs/dbraw/zinc/28/43/84/169284384.db2.gz LERVXWLQJKWPNC-AWEZNQCLSA-N 1 2 246.354 2.964 10 30 BFEELO CCC[NH2+][C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846545 169283567 /nfs/dbraw/zinc/28/35/67/169283567.db2.gz WPLIUFUSABKAJX-OAHLLOKOSA-N 1 2 246.354 2.910 10 30 BFEELO CCCCOCCNc1cc(C)[nH+]c(C)c1C#N ZINC000127348531 383856104 /nfs/dbraw/zinc/85/61/04/383856104.db2.gz URAOPPCMWQUGMV-UHFFFAOYSA-N 1 2 247.342 2.799 10 30 BFEELO Cc1cc(N2C[C@@H](C)[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000157457966 384478868 /nfs/dbraw/zinc/47/88/68/384478868.db2.gz OCNXQQDBDXIMSI-NXEZZACHSA-N 1 2 229.327 2.662 10 30 BFEELO Cc1csc(C[NH2+][C@H]2CCCC[C@H]2C#N)n1 ZINC000054825976 384895854 /nfs/dbraw/zinc/89/58/54/384895854.db2.gz SIKCLMJRLGHXLO-QWRGUYRKSA-N 1 2 235.356 2.624 10 30 BFEELO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cs1 ZINC000054826254 384896545 /nfs/dbraw/zinc/89/65/45/384896545.db2.gz ODLVLZSJQGFGPL-PWSUYJOCSA-N 1 2 235.356 2.624 10 30 BFEELO Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2C#N)n1 ZINC000054825975 384896585 /nfs/dbraw/zinc/89/65/85/384896585.db2.gz SIKCLMJRLGHXLO-WDEREUQCSA-N 1 2 235.356 2.624 10 30 BFEELO C[C@@]1(F)CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000336267483 134141588 /nfs/dbraw/zinc/14/15/88/134141588.db2.gz RZCSYSMOKBILNO-LLVKDONJSA-N 1 2 210.296 2.504 10 30 BFEELO C[C@@]1(F)CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000336267483 134141589 /nfs/dbraw/zinc/14/15/89/134141589.db2.gz RZCSYSMOKBILNO-LLVKDONJSA-N 1 2 210.296 2.504 10 30 BFEELO CC(C)[NH2+][C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000036924659 167136358 /nfs/dbraw/zinc/13/63/58/167136358.db2.gz RKLQOMWUZPJVFY-CQSZACIVSA-N 1 2 232.327 2.605 10 30 BFEELO CC(C)[NH2+][C@H](C#N)[C@@H](C)c1ccccc1 ZINC000041046393 167135907 /nfs/dbraw/zinc/13/59/07/167135907.db2.gz DQEXAQMMBONNEU-WCQYABFASA-N 1 2 202.301 2.680 10 30 BFEELO CC[C@@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000135369791 171014505 /nfs/dbraw/zinc/01/45/05/171014505.db2.gz JUTHGUQUHXWTFS-GFCCVEGCSA-N 1 2 229.327 2.806 10 30 BFEELO CCc1[nH+]c2ccccc2n1C[C@@H](C)C#N ZINC000057461021 172013856 /nfs/dbraw/zinc/01/38/56/172013856.db2.gz QXWVIAIUDLLYQP-JTQLQIEISA-N 1 2 213.284 2.758 10 30 BFEELO CN(C)/C=[NH+]\c1nc2ccccc2s1 ZINC000033917128 172351810 /nfs/dbraw/zinc/35/18/10/172351810.db2.gz DCWDATDHZDWTPZ-XFFZJAGNSA-N 1 2 205.286 2.518 10 30 BFEELO COc1ccccc1C[C@](C)(C#N)[NH+]1CCCC1 ZINC000037735075 175334135 /nfs/dbraw/zinc/33/41/35/175334135.db2.gz PBGVIIONLTZQNI-OAHLLOKOSA-N 1 2 244.338 2.616 10 30 BFEELO C[C@@H](c1ccccc1)[C@H](C#N)[NH+]1CCCC1 ZINC000041046495 176023235 /nfs/dbraw/zinc/02/32/35/176023235.db2.gz XEWMUCIOJKCBNV-JSGCOSHPSA-N 1 2 214.312 2.778 10 30 BFEELO C[C@H](c1ccccc1)[C@@H](C#N)[NH+]1CCCC1 ZINC000041046494 177040439 /nfs/dbraw/zinc/04/04/39/177040439.db2.gz XEWMUCIOJKCBNV-TZMCWYRMSA-N 1 2 214.312 2.778 10 30 BFEELO Cc1ccc([NH+]=C2SCCN2C)c(C)c1 ZINC000254353629 524989414 /nfs/dbraw/zinc/98/94/14/524989414.db2.gz UCJRLIJPTYGKGZ-UHFFFAOYSA-N 1 2 220.341 2.970 10 30 BFEELO Cc1cc(N2CCC3(CCC3)C2)c(C#N)c(C)[nH+]1 ZINC000160822011 178113470 /nfs/dbraw/zinc/11/34/70/178113470.db2.gz UDDDUKCEGYPPDB-UHFFFAOYSA-N 1 2 241.338 2.951 10 30 BFEELO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)o1 ZINC000054829804 398283501 /nfs/dbraw/zinc/28/35/01/398283501.db2.gz WWLYLELORLOXRV-YPMHNXCESA-N 1 2 218.300 2.760 10 30 BFEELO CC(C)CCC#C[C@H]1C[C@@H]1c1c[nH]c[nH+]1 ZINC000013795256 343104307 /nfs/dbraw/zinc/10/43/07/343104307.db2.gz OWZPODIBWTYIFN-RYUDHWBXSA-N 1 2 202.301 2.953 10 30 BFEELO CC(C)CCC#C[C@H]1C[C@@H]1c1c[nH+]c[nH]1 ZINC000013795256 343104308 /nfs/dbraw/zinc/10/43/08/343104308.db2.gz OWZPODIBWTYIFN-RYUDHWBXSA-N 1 2 202.301 2.953 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829047 136373165 /nfs/dbraw/zinc/37/31/65/136373165.db2.gz YLWYBYZUJMHLGA-TVQRCGJNSA-N 1 2 236.265 2.747 10 30 BFEELO CC(C)[C@H](C)[NH2+][C@@H](C#N)Cc1ccccc1 ZINC000381511555 344514717 /nfs/dbraw/zinc/51/47/17/344514717.db2.gz RDCBDMIPPWPVBR-GXTWGEPZSA-N 1 2 216.328 2.755 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000335183659 133530118 /nfs/dbraw/zinc/53/01/18/133530118.db2.gz DOFHXQFVCIPOLU-JOYOIKCWSA-N 1 2 235.718 2.517 10 30 BFEELO N#CCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680798 192088870 /nfs/dbraw/zinc/08/88/70/192088870.db2.gz SGBNAPWIPCXHQC-UHFFFAOYSA-N 1 2 243.335 2.813 10 30 BFEELO Cc1cc(NC2CC(C)C2)c(C#N)c(C)[nH+]1 ZINC000158877798 345719475 /nfs/dbraw/zinc/71/94/75/345719475.db2.gz IYSPUGGZCSOCDY-UHFFFAOYSA-N 1 2 215.300 2.781 10 30 BFEELO COc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000310843427 347311860 /nfs/dbraw/zinc/31/18/60/347311860.db2.gz LBSFPUISWIDHEF-MFKMUULPSA-N 1 2 248.301 2.616 10 30 BFEELO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000071340125 179384345 /nfs/dbraw/zinc/38/43/45/179384345.db2.gz JFFRDIMJPYHHJU-QWHCGFSZSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1nc([C@H](C)[NH2+]C[C@@H](C)C#N)c(C)s1 ZINC000054179694 180049484 /nfs/dbraw/zinc/04/94/84/180049484.db2.gz ZCOWCOKQMXNMSW-YUMQZZPRSA-N 1 2 223.345 2.570 10 30 BFEELO CCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000328158102 350376524 /nfs/dbraw/zinc/37/65/24/350376524.db2.gz UQMITVPHAQQASE-ZYHUDNBSSA-N 1 2 249.383 2.877 10 30 BFEELO COC(C)(C)C[C@](C)(C#N)[NH2+]C1CCCC1 ZINC000037968361 188289277 /nfs/dbraw/zinc/28/92/77/188289277.db2.gz LSWPQIPWXPJHGG-CYBMUJFWSA-N 1 2 224.348 2.616 10 30 BFEELO N#CC12CCC(CC1)C[N@@H+]2Cc1ccccc1 ZINC000032628037 181031697 /nfs/dbraw/zinc/03/16/97/181031697.db2.gz UHQJVTVZMQQYNF-UHFFFAOYSA-N 1 2 226.323 2.955 10 30 BFEELO N#CC12CCC(CC1)C[N@H+]2Cc1ccccc1 ZINC000032628037 181031698 /nfs/dbraw/zinc/03/16/98/181031698.db2.gz UHQJVTVZMQQYNF-UHFFFAOYSA-N 1 2 226.323 2.955 10 30 BFEELO N#CC1([NH+]2CCCCCC2)Cc2ccccc2C1 ZINC000038086295 181030073 /nfs/dbraw/zinc/03/00/73/181030073.db2.gz QXFVPTXWDQNMTM-UHFFFAOYSA-N 1 2 240.350 2.924 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1F ZINC000054824085 181060927 /nfs/dbraw/zinc/06/09/27/181060927.db2.gz OXAPNUKYHKKDKO-GXFFZTMASA-N 1 2 218.275 2.608 10 30 BFEELO N#Cc1ccccc1N1Cc2ccccc2C1=[NH2+] ZINC000020078833 181147959 /nfs/dbraw/zinc/14/79/59/181147959.db2.gz ARKTXJWEHHTEOW-UHFFFAOYSA-N 1 2 233.274 2.904 10 30 BFEELO CSCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000087975118 356384784 /nfs/dbraw/zinc/38/47/84/356384784.db2.gz RVEUJDHGFIPUMN-UHFFFAOYSA-N 1 2 235.356 2.735 10 30 BFEELO Cc1ccccc1NC1=[NH+][C@H](C)CS1 ZINC000035295163 356697178 /nfs/dbraw/zinc/69/71/78/356697178.db2.gz GHDOFHSENJXZST-SECBINFHSA-N 1 2 206.314 2.707 10 30 BFEELO Cc1cnc([C@@H](C)[NH2+]CC#Cc2ccccc2)o1 ZINC000235190233 357855220 /nfs/dbraw/zinc/85/52/20/357855220.db2.gz ZTOWVXRVFQARMJ-CYBMUJFWSA-N 1 2 240.306 2.685 10 30 BFEELO Cc1[nH+]cc(N)cc1-c1cnc(Cl)c(C#N)c1 ZINC000584613218 358276997 /nfs/dbraw/zinc/27/69/97/358276997.db2.gz QDQTUGXBCBJHCX-UHFFFAOYSA-N 1 2 244.685 2.559 10 30 BFEELO c1cnc2cccc(NC3=[NH+]CCCS3)c2c1 ZINC000034971967 183335135 /nfs/dbraw/zinc/33/51/35/183335135.db2.gz YFKAHFDYESIETC-UHFFFAOYSA-N 1 2 243.335 2.949 10 30 BFEELO CCC[NH2+][C@H](C#N)CCN(C)c1cccc(F)c1 ZINC000062438609 169284330 /nfs/dbraw/zinc/28/43/30/169284330.db2.gz RBWFQNNFUXVWTJ-ZDUSSCGKSA-N 1 2 249.333 2.544 10 30 BFEELO Cc1cc(NC2CCSCC2)c(C#N)c(C)[nH+]1 ZINC000158080800 384510853 /nfs/dbraw/zinc/51/08/53/384510853.db2.gz ALRFUGUQCXGDNT-UHFFFAOYSA-N 1 2 247.367 2.878 10 30 BFEELO CCOc1ccccc1[C@H](C)[NH2+]CCC#N ZINC000020199830 384596314 /nfs/dbraw/zinc/59/63/14/384596314.db2.gz RONRWKMKAMTCLK-NSHDSACASA-N 1 2 218.300 2.650 10 30 BFEELO C[C@@H]([NH2+]CC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039571 385275039 /nfs/dbraw/zinc/27/50/39/385275039.db2.gz DCLPZPIMORHRTQ-ZGCIAEMCSA-N 1 2 218.344 2.704 10 30 BFEELO Cc1cc(NC[C@@H]2CCCS2)c(C#N)c(C)[nH+]1 ZINC000157463286 388835138 /nfs/dbraw/zinc/83/51/38/388835138.db2.gz ULIUYPZBKYMGPI-NSHDSACASA-N 1 2 247.367 2.878 10 30 BFEELO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@@H](C)C#N)C2)cc1 ZINC000181898239 134339923 /nfs/dbraw/zinc/33/99/23/134339923.db2.gz KUKXCWNZTDEJIK-SGMGOOAPSA-N 1 2 244.338 2.785 10 30 BFEELO COc1ccc([C@@H]2C[C@H](C)[N@H+]([C@@H](C)C#N)C2)cc1 ZINC000181898239 134339924 /nfs/dbraw/zinc/33/99/24/134339924.db2.gz KUKXCWNZTDEJIK-SGMGOOAPSA-N 1 2 244.338 2.785 10 30 BFEELO Cc1cnc([C@H](C)[NH2+]Cc2cc(C#N)cs2)o1 ZINC000231526933 134541044 /nfs/dbraw/zinc/54/10/44/134541044.db2.gz GNNZBYBLZGRGFP-VIFPVBQESA-N 1 2 247.323 2.767 10 30 BFEELO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)o1 ZINC000061892559 398108089 /nfs/dbraw/zinc/10/80/89/398108089.db2.gz NBLWZYVCPJJTSB-MFKMUULPSA-N 1 2 218.300 2.624 10 30 BFEELO CC(C)[NH2+][C@H](C#N)[C@H](C)c1ccccc1 ZINC000041046395 167136952 /nfs/dbraw/zinc/13/69/52/167136952.db2.gz DQEXAQMMBONNEU-DGCLKSJQSA-N 1 2 202.301 2.680 10 30 BFEELO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](CC)CCC#N)C1 ZINC000042450549 171026887 /nfs/dbraw/zinc/02/68/87/171026887.db2.gz YOWBQFYMWWEPQJ-HZSPNIEDSA-N 1 2 233.359 2.940 10 30 BFEELO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](CC)CCC#N)C1 ZINC000042450549 171026888 /nfs/dbraw/zinc/02/68/88/171026888.db2.gz YOWBQFYMWWEPQJ-HZSPNIEDSA-N 1 2 233.359 2.940 10 30 BFEELO CC[C@@H]1CSC(Nc2ccc(CC#N)cc2)=[NH+]1 ZINC000051601778 171113571 /nfs/dbraw/zinc/11/35/71/171113571.db2.gz OWWZZIKVQFGSHH-LLVKDONJSA-N 1 2 245.351 2.855 10 30 BFEELO CC[C@@H]1C[C@@H]1Nc1cc(C)[nH+]c(C)c1C#N ZINC000227593756 171123265 /nfs/dbraw/zinc/12/32/65/171123265.db2.gz NCANUCULUISVTF-PWSUYJOCSA-N 1 2 215.300 2.781 10 30 BFEELO CC[C@H](C)[NH2+][C@@](C)(C#N)Cc1ccccc1OC ZINC000038064541 171347489 /nfs/dbraw/zinc/34/74/89/171347489.db2.gz YNFDUWPEAXRRDD-SWLSCSKDSA-N 1 2 246.354 2.908 10 30 BFEELO CCn1cc[nH+]c1CNc1ccc(F)c(C#N)c1 ZINC000051924374 172225063 /nfs/dbraw/zinc/22/50/63/172225063.db2.gz YUIUYTZJYWHKDD-UHFFFAOYSA-N 1 2 244.273 2.526 10 30 BFEELO C[C@H]1CC(C)(C)C[C@@](C#N)([NH2+]C2CC2)C1 ZINC000036924793 177063879 /nfs/dbraw/zinc/06/38/79/177063879.db2.gz NVBKWTQVJXSEJL-GWCFXTLKSA-N 1 2 206.333 2.847 10 30 BFEELO C=CC1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000160698751 534532579 /nfs/dbraw/zinc/53/25/79/534532579.db2.gz BCCGVKWUOKGLML-UHFFFAOYSA-N 1 2 241.338 2.973 10 30 BFEELO Cc1cc(N2C[C@@H]3CCC[C@H]3C2)c(C#N)c(C)[nH+]1 ZINC000125087783 178121441 /nfs/dbraw/zinc/12/14/41/178121441.db2.gz QWANWOKTJOQMLB-STQMWFEESA-N 1 2 241.338 2.806 10 30 BFEELO N#C[C@]1([NH2+]C2CCCCCC2)CCSC1 ZINC000037970029 187253961 /nfs/dbraw/zinc/25/39/61/187253961.db2.gz ZOLPRPVTUKBBLR-GFCCVEGCSA-N 1 2 224.373 2.698 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829044 136373087 /nfs/dbraw/zinc/37/30/87/136373087.db2.gz YLWYBYZUJMHLGA-RNCFNFMXSA-N 1 2 236.265 2.747 10 30 BFEELO CC(C)[C@H](C)[NH2+][C@H](C#N)Cc1ccccc1 ZINC000381511558 344514952 /nfs/dbraw/zinc/51/49/52/344514952.db2.gz RDCBDMIPPWPVBR-JSGCOSHPSA-N 1 2 216.328 2.755 10 30 BFEELO CC(C)(C)CC#C[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000029400739 344595844 /nfs/dbraw/zinc/59/58/44/344595844.db2.gz XBRILQZFKNUQAJ-GHMZBOCLSA-N 1 2 202.301 2.953 10 30 BFEELO CC(C)(C)CC#C[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000029400739 344595847 /nfs/dbraw/zinc/59/58/47/344595847.db2.gz XBRILQZFKNUQAJ-GHMZBOCLSA-N 1 2 202.301 2.953 10 30 BFEELO Cc1ccc(SC[C@@](C)([NH3+])C#N)cc1C ZINC000045218970 178828178 /nfs/dbraw/zinc/82/81/78/178828178.db2.gz IYKGPFXHMQCARG-LBPRGKRZSA-N 1 2 220.341 2.637 10 30 BFEELO C=C(Cl)CNc1ccc([NH+](C)C)cc1 ZINC000058733163 187360652 /nfs/dbraw/zinc/36/06/52/187360652.db2.gz AYLXMIIURJQVAG-UHFFFAOYSA-N 1 2 210.708 2.917 10 30 BFEELO Cc1ccc(SCCC/C(N)=[NH+]/O)cc1 ZINC000019847749 187314219 /nfs/dbraw/zinc/31/42/19/187314219.db2.gz BKABMKZARBDVLW-UHFFFAOYSA-N 1 2 224.329 2.614 10 30 BFEELO Cc1cc[nH+]cc1N[C@H]1CCC[C@H](C#N)C1 ZINC000185868499 349375300 /nfs/dbraw/zinc/37/53/00/349375300.db2.gz SAAFSLSWEBDPTJ-RYUDHWBXSA-N 1 2 215.300 2.884 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000054824086 181060032 /nfs/dbraw/zinc/06/00/32/181060032.db2.gz OXAPNUKYHKKDKO-GWCFXTLKSA-N 1 2 218.275 2.608 10 30 BFEELO N#C[C@]12CC[C@H](C[N@@H+]1Cc1ccccc1)C2 ZINC000032629222 181071430 /nfs/dbraw/zinc/07/14/30/181071430.db2.gz WOBHGUPTSMHZQQ-UONOGXRCSA-N 1 2 212.296 2.565 10 30 BFEELO N#C[C@]12CC[C@H](C[N@H+]1Cc1ccccc1)C2 ZINC000032629222 181071432 /nfs/dbraw/zinc/07/14/32/181071432.db2.gz WOBHGUPTSMHZQQ-UONOGXRCSA-N 1 2 212.296 2.565 10 30 BFEELO Cc1cnc([C@H](C)[NH2+]CC#Cc2ccccc2)o1 ZINC000235525869 357876242 /nfs/dbraw/zinc/87/62/42/357876242.db2.gz ZTOWVXRVFQARMJ-ZDUSSCGKSA-N 1 2 240.306 2.685 10 30 BFEELO C=C(Cl)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121817689 134235758 /nfs/dbraw/zinc/23/57/58/134235758.db2.gz VNJFIFKHPKWUQW-NSHDSACASA-N 1 2 225.723 2.689 10 30 BFEELO C=C(Cl)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121817689 134235759 /nfs/dbraw/zinc/23/57/59/134235759.db2.gz VNJFIFKHPKWUQW-NSHDSACASA-N 1 2 225.723 2.689 10 30 BFEELO Cc1ccc2c(c1)C=C(C[C@H]([NH3+])C#N)CC2 ZINC000039039885 358216866 /nfs/dbraw/zinc/21/68/66/358216866.db2.gz FHJHLPIYQREDMT-AWEZNQCLSA-N 1 2 212.296 2.566 10 30 BFEELO CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2C#N)o1 ZINC000385550186 359288408 /nfs/dbraw/zinc/28/84/08/359288408.db2.gz WVVOXJNYKHHROJ-VXGBXAGGSA-N 1 2 247.342 2.717 10 30 BFEELO C=C(Cl)CNc1cc[nH+]c(C(C)C)n1 ZINC000306469580 360087781 /nfs/dbraw/zinc/08/77/81/360087781.db2.gz POHFSPDHIBDYFV-UHFFFAOYSA-N 1 2 211.696 2.764 10 30 BFEELO CC(C)(C#N)[N@@H+]1CCC2(C1)CCCCC2 ZINC000161256394 363856015 /nfs/dbraw/zinc/85/60/15/363856015.db2.gz PRBARANGQQVLCE-UHFFFAOYSA-N 1 2 206.333 2.945 10 30 BFEELO CC(C)(C#N)[N@H+]1CCC2(C1)CCCCC2 ZINC000161256394 363856020 /nfs/dbraw/zinc/85/60/20/363856020.db2.gz PRBARANGQQVLCE-UHFFFAOYSA-N 1 2 206.333 2.945 10 30 BFEELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)o1 ZINC000231526913 372047225 /nfs/dbraw/zinc/04/72/25/372047225.db2.gz GNNZBYBLZGRGFP-SECBINFHSA-N 1 2 247.323 2.767 10 30 BFEELO CCOc1ccccc1[C@@H](C)[NH2+]CCC#N ZINC000020199829 384597449 /nfs/dbraw/zinc/59/74/49/384597449.db2.gz RONRWKMKAMTCLK-LLVKDONJSA-N 1 2 218.300 2.650 10 30 BFEELO Cc1cc(N[C@H]2CCCSC2)c(C#N)c(C)[nH+]1 ZINC000158084780 384817700 /nfs/dbraw/zinc/81/77/00/384817700.db2.gz KYGFXUXUGXSLKW-NSHDSACASA-N 1 2 247.367 2.878 10 30 BFEELO Cc1cc(N2C[C@H](C)[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000157457833 133486792 /nfs/dbraw/zinc/48/67/92/133486792.db2.gz OCNXQQDBDXIMSI-AOOOYVTPSA-N 1 2 229.327 2.662 10 30 BFEELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000220909240 134314866 /nfs/dbraw/zinc/31/48/66/134314866.db2.gz CCEOCBWCXBYOOT-NSHDSACASA-N 1 2 241.294 2.706 10 30 BFEELO C[C@@H](C#N)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884677 134339898 /nfs/dbraw/zinc/33/98/98/134339898.db2.gz HOOKUPLTYMQLSM-STQMWFEESA-N 1 2 204.317 2.721 10 30 BFEELO C[C@@H](C#N)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884677 134339899 /nfs/dbraw/zinc/33/98/99/134339899.db2.gz HOOKUPLTYMQLSM-STQMWFEESA-N 1 2 204.317 2.721 10 30 BFEELO C[C@H](C#N)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248464873 135012267 /nfs/dbraw/zinc/01/22/67/135012267.db2.gz RHCFPBIWQYPYKX-DOMZBBRYSA-N 1 2 243.354 2.802 10 30 BFEELO C[C@H](C#N)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248464873 135012272 /nfs/dbraw/zinc/01/22/72/135012272.db2.gz RHCFPBIWQYPYKX-DOMZBBRYSA-N 1 2 243.354 2.802 10 30 BFEELO C[C@@H]1CC(C)(C)C[C@@](C#N)([NH2+]C2CC2)C1 ZINC000036924792 176052159 /nfs/dbraw/zinc/05/21/59/176052159.db2.gz NVBKWTQVJXSEJL-MFKMUULPSA-N 1 2 206.333 2.847 10 30 BFEELO CCC(C)(C)c1ccc(OCC[C@@H]([NH3+])C#N)cc1 ZINC000062446257 168305224 /nfs/dbraw/zinc/30/52/24/168305224.db2.gz FLKGIRWJQFIGKY-CYBMUJFWSA-N 1 2 246.354 2.994 10 30 BFEELO CCN[C@@H](C#N)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061821634 170138008 /nfs/dbraw/zinc/13/80/08/170138008.db2.gz XZIYAYYJYJNHKD-AWEZNQCLSA-N 1 2 249.402 2.534 10 30 BFEELO CC[C@H](C#N)[N@@H+]1CCCc2ccccc2C1 ZINC000062944626 171219875 /nfs/dbraw/zinc/21/98/75/171219875.db2.gz ASFSGAPGYVEONR-CQSZACIVSA-N 1 2 214.312 2.737 10 30 BFEELO CC[C@H](C#N)[N@H+]1CCCc2ccccc2C1 ZINC000062944626 171219877 /nfs/dbraw/zinc/21/98/77/171219877.db2.gz ASFSGAPGYVEONR-CQSZACIVSA-N 1 2 214.312 2.737 10 30 BFEELO CC[C@H](C)C[C@](C#N)(CC)[NH2+]C[C@@H]1CCCO1 ZINC000037939839 171299131 /nfs/dbraw/zinc/29/91/31/171299131.db2.gz OVOGUXASHJOGHJ-IHRRRGAJSA-N 1 2 238.375 2.864 10 30 BFEELO CC[C@H](C)[NH2+][C@](C)(C#N)CCc1ccc(O)cc1 ZINC000038064663 171348609 /nfs/dbraw/zinc/34/86/09/171348609.db2.gz MQGZVFXRGQUDOJ-WFASDCNBSA-N 1 2 246.354 2.995 10 30 BFEELO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C#N)c(OC)c1 ZINC000054179364 175176991 /nfs/dbraw/zinc/17/69/91/175176991.db2.gz UQMQBVURFNZAJO-WDEREUQCSA-N 1 2 248.326 2.514 10 30 BFEELO COc1ccccc1C[C@](C)(C#N)[NH2+]CC(C)C ZINC000037939313 175333828 /nfs/dbraw/zinc/33/38/28/175333828.db2.gz QUMOWTKTTMGKPF-OAHLLOKOSA-N 1 2 246.354 2.766 10 30 BFEELO C[C@@H]1CCCC[C@@]1(C#N)[NH2+]C1CCCC1 ZINC000037968395 176083681 /nfs/dbraw/zinc/08/36/81/176083681.db2.gz MKTCLQGECGJOKX-YPMHNXCESA-N 1 2 206.333 2.991 10 30 BFEELO Cc1cccc2c1C=C(C[C@@H]([NH3+])C#N)CC2 ZINC000238550375 487667177 /nfs/dbraw/zinc/66/71/77/487667177.db2.gz SFCGLPLMIAQLNC-CYBMUJFWSA-N 1 2 212.296 2.566 10 30 BFEELO C=C(C)C[NH2+]c1ccc2c(c1)CCN2C ZINC000757126678 582502204 /nfs/dbraw/zinc/50/22/04/582502204.db2.gz GLLHGAKPGOQUAK-UHFFFAOYSA-N 1 2 202.301 2.667 10 30 BFEELO Cc1cc(N(C)CCC2CC2)c(C#N)c(C)[nH+]1 ZINC000120267491 178098406 /nfs/dbraw/zinc/09/84/06/178098406.db2.gz ZVUHSBPYRHQGNI-UHFFFAOYSA-N 1 2 229.327 2.806 10 30 BFEELO Cc1cc(N2CC[C@@H](C)[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000301790408 178117280 /nfs/dbraw/zinc/11/72/80/178117280.db2.gz QKIJCDNDFDFFPV-BXKDBHETSA-N 1 2 229.327 2.805 10 30 BFEELO Cc1cc(NC[C@]2(C)CCCO2)c(C#N)c(C)[nH+]1 ZINC000127355847 178170040 /nfs/dbraw/zinc/17/00/40/178170040.db2.gz DBCUJGCLIVINND-AWEZNQCLSA-N 1 2 245.326 2.551 10 30 BFEELO C[N@H+](Cc1ccccc1)C1(C#N)CCCC1 ZINC000143867998 342681799 /nfs/dbraw/zinc/68/17/99/342681799.db2.gz GJWZXJURKOVJCC-UHFFFAOYSA-N 1 2 214.312 2.955 10 30 BFEELO C[N@@H+](Cc1ccccc1)C1(C#N)CCCC1 ZINC000143867998 342681801 /nfs/dbraw/zinc/68/18/01/342681801.db2.gz GJWZXJURKOVJCC-UHFFFAOYSA-N 1 2 214.312 2.955 10 30 BFEELO N#Cc1ccc(Oc2cc[nH+]cc2)cc1C#N ZINC000148971702 342792796 /nfs/dbraw/zinc/79/27/96/342792796.db2.gz DQXFLOUMWDEYNV-UHFFFAOYSA-N 1 2 221.219 2.617 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829051 136372940 /nfs/dbraw/zinc/37/29/40/136372940.db2.gz YLWYBYZUJMHLGA-ZANVPECISA-N 1 2 236.265 2.747 10 30 BFEELO COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000310843426 347311728 /nfs/dbraw/zinc/31/17/28/347311728.db2.gz LBSFPUISWIDHEF-GXFFZTMASA-N 1 2 248.301 2.616 10 30 BFEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000595688537 348314038 /nfs/dbraw/zinc/31/40/38/348314038.db2.gz FUOHIMBMZXSLGN-MFKMUULPSA-N 1 2 249.745 2.907 10 30 BFEELO CCc1nc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cs1 ZINC000328158100 350376243 /nfs/dbraw/zinc/37/62/43/350376243.db2.gz UQMITVPHAQQASE-PWSUYJOCSA-N 1 2 249.383 2.877 10 30 BFEELO Cc1ccnc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000328151589 350376597 /nfs/dbraw/zinc/37/65/97/350376597.db2.gz FLDYIUUQHFWWQX-OCCSQVGLSA-N 1 2 229.327 2.562 10 30 BFEELO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000405028380 351468295 /nfs/dbraw/zinc/46/82/95/351468295.db2.gz OILSLVUTEHZPIN-QMTHXVAHSA-N 1 2 248.301 2.616 10 30 BFEELO N#C[C@@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000307288515 351854955 /nfs/dbraw/zinc/85/49/55/351854955.db2.gz CDPKERAXTHINCO-JTQLQIEISA-N 1 2 226.732 2.590 10 30 BFEELO CC#CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000160008722 353252477 /nfs/dbraw/zinc/25/24/77/353252477.db2.gz OJOOZNGDWXXZDW-LLVKDONJSA-N 1 2 220.341 2.693 10 30 BFEELO CC#CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000160008722 353252480 /nfs/dbraw/zinc/25/24/80/353252480.db2.gz OJOOZNGDWXXZDW-LLVKDONJSA-N 1 2 220.341 2.693 10 30 BFEELO CC(C)C[C@@H](C)N(C)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000058989571 188302744 /nfs/dbraw/zinc/30/27/44/188302744.db2.gz VGEHCGCTNVLPTN-LLVKDONJSA-N 1 2 249.358 2.652 10 30 BFEELO N#CC1([NH2+]C[C@H]2CCCO2)CCCCCCC1 ZINC000037940147 181030379 /nfs/dbraw/zinc/03/03/79/181030379.db2.gz FIUIPOLYXGQAQF-CYBMUJFWSA-N 1 2 236.359 2.762 10 30 BFEELO N#CC[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000055016058 181046219 /nfs/dbraw/zinc/04/62/19/181046219.db2.gz MLZCCYAUAYJBRH-HNNXBMFYSA-N 1 2 237.306 2.826 10 30 BFEELO N#C[C@@H]([NH3+])CCSc1ccc2c(c1)CCC2 ZINC000062456277 181055591 /nfs/dbraw/zinc/05/55/91/181055591.db2.gz NFBPCQFORHACOY-LBPRGKRZSA-N 1 2 232.352 2.508 10 30 BFEELO N#C[C@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000062452754 181065238 /nfs/dbraw/zinc/06/52/38/181065238.db2.gz FTTCPXVUWREDPD-SECBINFHSA-N 1 2 226.732 2.673 10 30 BFEELO N#C[C@H]([NH2+]C1CCCC1)[C@H]1CC=CCC1 ZINC000037968504 181066323 /nfs/dbraw/zinc/06/63/23/181066323.db2.gz QPTCCTUZZUNTFJ-AAEUAGOBSA-N 1 2 204.317 2.767 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000061891851 181068582 /nfs/dbraw/zinc/06/85/82/181068582.db2.gz JEBRMMUBEJZQJL-SCZZXKLOSA-N 1 2 224.691 2.715 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1F ZINC000054824083 181070107 /nfs/dbraw/zinc/07/01/07/181070107.db2.gz OXAPNUKYHKKDKO-ZWNOBZJWSA-N 1 2 218.275 2.608 10 30 BFEELO N#Cc1cc(NCc2[nH]cc[nH+]2)ccc1Cl ZINC000049715021 181091630 /nfs/dbraw/zinc/09/16/30/181091630.db2.gz NKOHMADTQGTGJH-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO N#Cc1ccc(NCc2[nH]cc[nH+]2)cc1Cl ZINC000049714822 181124996 /nfs/dbraw/zinc/12/49/96/181124996.db2.gz WEAGRFPXZSFXFG-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000230686492 357549856 /nfs/dbraw/zinc/54/98/56/357549856.db2.gz HXBBHGMJVBMPGB-BXUZGUMPSA-N 1 2 232.302 2.916 10 30 BFEELO C[C@@H](C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000047915472 358607562 /nfs/dbraw/zinc/60/75/62/358607562.db2.gz DFCBCYCKPBXNNE-ZDUSSCGKSA-N 1 2 228.339 2.853 10 30 BFEELO CCN(C)C=[NH+]c1nc2ccccc2s1 ZINC000255964952 359337029 /nfs/dbraw/zinc/33/70/29/359337029.db2.gz BNMVZWKLQLVDPQ-UHFFFAOYSA-N 1 2 219.313 2.908 10 30 BFEELO COc1cc(C)c(/C=[NH+]/C(C)(C)C)cn1 ZINC000114160043 368927034 /nfs/dbraw/zinc/92/70/34/368927034.db2.gz ZKFVVOWMRZUKTO-RIYZIHGNSA-N 1 2 206.289 2.616 10 30 BFEELO Cc1cc(N2CCC[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000156535728 371442545 /nfs/dbraw/zinc/44/25/45/371442545.db2.gz NSTMKXKKHIPZAX-SNVBAGLBSA-N 1 2 229.327 2.806 10 30 BFEELO CCC[NH2+][C@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846544 169292236 /nfs/dbraw/zinc/29/22/36/169292236.db2.gz WPLIUFUSABKAJX-HNNXBMFYSA-N 1 2 246.354 2.910 10 30 BFEELO CC[C@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000135369808 383849458 /nfs/dbraw/zinc/84/94/58/383849458.db2.gz JUTHGUQUHXWTFS-LBPRGKRZSA-N 1 2 229.327 2.806 10 30 BFEELO Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2C#N)n1 ZINC000054825974 384897043 /nfs/dbraw/zinc/89/70/43/384897043.db2.gz SIKCLMJRLGHXLO-MNOVXSKESA-N 1 2 235.356 2.624 10 30 BFEELO C=CC[C@@H](CO)Nc1[nH+]c2ccccc2cc1C ZINC000302135716 384963459 /nfs/dbraw/zinc/96/34/59/384963459.db2.gz MIGZPWPIZOOURE-ZDUSSCGKSA-N 1 2 242.322 2.892 10 30 BFEELO CS[C@H](C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000128810385 386055029 /nfs/dbraw/zinc/05/50/29/386055029.db2.gz MGBCRXDUKCOBRO-SECBINFHSA-N 1 2 235.356 2.734 10 30 BFEELO C=C(C)COCCNc1cc(C)[nH+]c(C)c1C#N ZINC000123697430 386562202 /nfs/dbraw/zinc/56/22/02/386562202.db2.gz XKIRRYSNJWIWEZ-UHFFFAOYSA-N 1 2 245.326 2.575 10 30 BFEELO N#CCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195364130 387911376 /nfs/dbraw/zinc/91/13/76/387911376.db2.gz PDTHTSFSKPUHRD-NSHDSACASA-N 1 2 235.356 2.974 10 30 BFEELO N#CCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195364130 387911380 /nfs/dbraw/zinc/91/13/80/387911380.db2.gz PDTHTSFSKPUHRD-NSHDSACASA-N 1 2 235.356 2.974 10 30 BFEELO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404330 134217621 /nfs/dbraw/zinc/21/76/21/134217621.db2.gz SWKOALBXSIYDBK-STQMWFEESA-N 1 2 243.310 2.860 10 30 BFEELO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116404330 134217622 /nfs/dbraw/zinc/21/76/22/134217622.db2.gz SWKOALBXSIYDBK-STQMWFEESA-N 1 2 243.310 2.860 10 30 BFEELO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@H](C)C#N)C2)cc1 ZINC000248455193 135012546 /nfs/dbraw/zinc/01/25/46/135012546.db2.gz KUKXCWNZTDEJIK-OUCADQQQSA-N 1 2 244.338 2.785 10 30 BFEELO COc1ccc([C@@H]2C[C@H](C)[N@H+]([C@H](C)C#N)C2)cc1 ZINC000248455193 135012547 /nfs/dbraw/zinc/01/25/47/135012547.db2.gz KUKXCWNZTDEJIK-OUCADQQQSA-N 1 2 244.338 2.785 10 30 BFEELO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)o1 ZINC000061892560 398107496 /nfs/dbraw/zinc/10/74/96/398107496.db2.gz NBLWZYVCPJJTSB-GXFFZTMASA-N 1 2 218.300 2.624 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000061891820 398107867 /nfs/dbraw/zinc/10/78/67/398107867.db2.gz IPOQBNKMGTUHBH-TVQRCGJNSA-N 1 2 236.265 2.747 10 30 BFEELO C#CC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019875624 166190671 /nfs/dbraw/zinc/19/06/71/166190671.db2.gz LNISDKYQXJOICD-AWEZNQCLSA-N 1 2 211.264 2.592 10 30 BFEELO CC[NH2+][C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846543 170154950 /nfs/dbraw/zinc/15/49/50/170154950.db2.gz ZERKTDDZBWZIBD-CQSZACIVSA-N 1 2 232.327 2.520 10 30 BFEELO CCN[C@H](C#N)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061821633 170155757 /nfs/dbraw/zinc/15/57/57/170155757.db2.gz XZIYAYYJYJNHKD-CQSZACIVSA-N 1 2 249.402 2.534 10 30 BFEELO CCc1[nH+]c2ccccc2n1C[C@H](C)C#N ZINC000057461022 172014225 /nfs/dbraw/zinc/01/42/25/172014225.db2.gz QXWVIAIUDLLYQP-SNVBAGLBSA-N 1 2 213.284 2.758 10 30 BFEELO CN(C)/C=[NH+]\c1nc2ccc(F)cc2s1 ZINC000004300182 172351651 /nfs/dbraw/zinc/35/16/51/172351651.db2.gz ITZRNAFQNFQYPY-SDQBBNPISA-N 1 2 223.276 2.657 10 30 BFEELO COCCCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000227593471 174184627 /nfs/dbraw/zinc/18/46/27/174184627.db2.gz NWJXWHSMYRUXDT-UHFFFAOYSA-N 1 2 247.342 2.799 10 30 BFEELO COc1ccc([NH2+][C@@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000054823121 175153843 /nfs/dbraw/zinc/15/38/43/175153843.db2.gz MGCOKYBPQBMBSX-CMPLNLGQSA-N 1 2 246.310 2.808 10 30 BFEELO C[C@@H]1CCC[C@](C#N)([NH2+]C2CCCC2)C1 ZINC000037968409 176151302 /nfs/dbraw/zinc/15/13/02/176151302.db2.gz MTCYMHPRRPTCIL-YPMHNXCESA-N 1 2 206.333 2.991 10 30 BFEELO CC1(C)C[C@H]([NH2+]CCC#N)c2ccccc2O1 ZINC000162990187 324191771 /nfs/dbraw/zinc/19/17/71/324191771.db2.gz AZMAHIYKEHOUQV-LBPRGKRZSA-N 1 2 230.311 2.792 10 30 BFEELO C[C@@H](S)c1ccc(-n2cc[nH+]c2)cc1 ZINC000757158798 582541052 /nfs/dbraw/zinc/54/10/52/582541052.db2.gz APVLSXSYODFBAN-SECBINFHSA-N 1 2 204.298 2.863 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000309476552 633138816 /nfs/dbraw/zinc/13/88/16/633138816.db2.gz CBWCGSGQZCMHHE-ONGXEEELSA-N 1 2 235.718 2.517 10 30 BFEELO Cc1cc(Cl)ccc1OCCC/C(N)=[NH+]/O ZINC000019471389 178068677 /nfs/dbraw/zinc/06/86/77/178068677.db2.gz XPNAZTICXUUWLS-UHFFFAOYSA-N 1 2 242.706 2.554 10 30 BFEELO CC(C)C[C@H](C#N)[NH2+]CCc1ccccc1 ZINC000057497969 187273069 /nfs/dbraw/zinc/27/30/69/187273069.db2.gz WCBNAVLZYWBYFL-CQSZACIVSA-N 1 2 216.328 2.757 10 30 BFEELO C=CC[C@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC000235077353 344764676 /nfs/dbraw/zinc/76/46/76/344764676.db2.gz XAVGYWVNCKGSMZ-ZETCQYMHSA-N 1 2 211.696 2.694 10 30 BFEELO Cc1cc(N[C@H]2CCc3ccccc32)c(C#N)c[nH+]1 ZINC000425212432 192083261 /nfs/dbraw/zinc/08/32/61/192083261.db2.gz WBINSYHDWIFYLT-HNNXBMFYSA-N 1 2 249.317 2.783 10 30 BFEELO C=C(C)C[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158631995 345358264 /nfs/dbraw/zinc/35/82/64/345358264.db2.gz LKBMOGVSPAPGML-CYBMUJFWSA-N 1 2 221.300 2.537 10 30 BFEELO C=C(C)C[N@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158631995 345358266 /nfs/dbraw/zinc/35/82/66/345358266.db2.gz LKBMOGVSPAPGML-CYBMUJFWSA-N 1 2 221.300 2.537 10 30 BFEELO CC(C)(C#N)[NH+]1CCC(C)(C2CC2)CC1 ZINC000335673843 534999042 /nfs/dbraw/zinc/99/90/42/534999042.db2.gz IEGWRYMPVMZPQV-UHFFFAOYSA-N 1 2 206.333 2.801 10 30 BFEELO COc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000310843425 347311741 /nfs/dbraw/zinc/31/17/41/347311741.db2.gz LBSFPUISWIDHEF-GWCFXTLKSA-N 1 2 248.301 2.616 10 30 BFEELO Cc1ccccc1N(C)CC[C@H](C#N)[NH2+]C(C)C ZINC000062438461 179294489 /nfs/dbraw/zinc/29/44/89/179294489.db2.gz BKHGQQLLBGECLJ-CQSZACIVSA-N 1 2 245.370 2.712 10 30 BFEELO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000071340123 179383168 /nfs/dbraw/zinc/38/31/68/179383168.db2.gz JFFRDIMJPYHHJU-CHWSQXEVSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C#N)sc1C ZINC000595688979 348315045 /nfs/dbraw/zinc/31/50/45/348315045.db2.gz JQUWLSDSZWPDDI-NEPJUHHUSA-N 1 2 249.383 2.932 10 30 BFEELO Cc1csc(C[NH2+]Cc2ccccc2C#N)n1 ZINC000038091631 179776654 /nfs/dbraw/zinc/77/66/54/179776654.db2.gz RHUMMGSGTSXUAG-UHFFFAOYSA-N 1 2 243.335 2.613 10 30 BFEELO Cc1cc[nH+]cc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000185868514 349376223 /nfs/dbraw/zinc/37/62/23/349376223.db2.gz SAAFSLSWEBDPTJ-VXGBXAGGSA-N 1 2 215.300 2.884 10 30 BFEELO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000405028384 351468899 /nfs/dbraw/zinc/46/88/99/351468899.db2.gz OILSLVUTEHZPIN-YGRLFVJLSA-N 1 2 248.301 2.616 10 30 BFEELO CC#CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000160008864 353252643 /nfs/dbraw/zinc/25/26/43/353252643.db2.gz OJOOZNGDWXXZDW-NSHDSACASA-N 1 2 220.341 2.693 10 30 BFEELO CC#CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000160008864 353252647 /nfs/dbraw/zinc/25/26/47/353252647.db2.gz OJOOZNGDWXXZDW-NSHDSACASA-N 1 2 220.341 2.693 10 30 BFEELO N#Cc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000019518252 188281467 /nfs/dbraw/zinc/28/14/67/188281467.db2.gz IAZNSWPJYJMSHK-UHFFFAOYSA-N 1 2 234.262 2.684 10 30 BFEELO CC(C)[N@H+](CCC#N)Cc1cc(F)ccc1N ZINC000042528561 188293314 /nfs/dbraw/zinc/29/33/14/188293314.db2.gz RDGBJMJGVMVHNO-UHFFFAOYSA-N 1 2 235.306 2.532 10 30 BFEELO CC(C)[N@@H+](CCC#N)Cc1cc(F)ccc1N ZINC000042528561 188293315 /nfs/dbraw/zinc/29/33/15/188293315.db2.gz RDGBJMJGVMVHNO-UHFFFAOYSA-N 1 2 235.306 2.532 10 30 BFEELO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC[C@H]([NH3+])C#N ZINC000062442624 188303520 /nfs/dbraw/zinc/30/35/20/188303520.db2.gz YBDIEJALEBTNCA-XJFOESAGSA-N 1 2 238.375 2.705 10 30 BFEELO N#C[C@H]([NH3+])CCSc1cccc(Cl)c1 ZINC000062458540 181065172 /nfs/dbraw/zinc/06/51/72/181065172.db2.gz LTGPFRXFQZOFAA-SECBINFHSA-N 1 2 226.732 2.673 10 30 BFEELO N/C(CCCSc1ccccc1Cl)=[NH+]\O ZINC000019847792 181182482 /nfs/dbraw/zinc/18/24/82/181182482.db2.gz WEFWJDWOZCFFGC-UHFFFAOYSA-N 1 2 244.747 2.959 10 30 BFEELO C[C@H]1CC[N@@H+](C(C)(C)C#N)CC12CCC2 ZINC000336138532 134096743 /nfs/dbraw/zinc/09/67/43/134096743.db2.gz YISPTVOZUBVRGT-NSHDSACASA-N 1 2 206.333 2.801 10 30 BFEELO C[C@H]1CC[N@H+](C(C)(C)C#N)CC12CCC2 ZINC000336138532 134096744 /nfs/dbraw/zinc/09/67/44/134096744.db2.gz YISPTVOZUBVRGT-NSHDSACASA-N 1 2 206.333 2.801 10 30 BFEELO N#C[C@@H]([NH3+])Cc1ccc2cccc(Cl)c2c1 ZINC000584626804 358296251 /nfs/dbraw/zinc/29/62/51/358296251.db2.gz POJPZHCANNNUPA-NSHDSACASA-N 1 2 230.698 2.887 10 30 BFEELO CSC(=[NH2+])Nc1cc(C)ccc1Cl ZINC000231540093 358417886 /nfs/dbraw/zinc/41/78/86/358417886.db2.gz ILUMLOUMQXWNFH-UHFFFAOYSA-N 1 2 214.721 2.958 10 30 BFEELO CCc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2C#N)o1 ZINC000385550176 359288503 /nfs/dbraw/zinc/28/85/03/359288503.db2.gz WVVOXJNYKHHROJ-NEPJUHHUSA-N 1 2 247.342 2.717 10 30 BFEELO C=C(c1c[nH+]c(N)c(C)c1)C(F)(F)F ZINC000306523520 360361069 /nfs/dbraw/zinc/36/10/69/360361069.db2.gz SVPAIJZFIVCUEA-UHFFFAOYSA-N 1 2 202.179 2.548 10 30 BFEELO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1F ZINC000335626550 365295723 /nfs/dbraw/zinc/29/57/23/365295723.db2.gz SQFDNDVBMCHESQ-DGCLKSJQSA-N 1 2 232.302 2.916 10 30 BFEELO N#CCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000404866411 369437519 /nfs/dbraw/zinc/43/75/19/369437519.db2.gz WBHNVPVTUYARJC-UHFFFAOYSA-N 1 2 216.275 2.801 10 30 BFEELO N#CCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000404866411 369437525 /nfs/dbraw/zinc/43/75/25/369437525.db2.gz WBHNVPVTUYARJC-UHFFFAOYSA-N 1 2 216.275 2.801 10 30 BFEELO Cc1cc(N2CCC[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000156535604 371442328 /nfs/dbraw/zinc/44/23/28/371442328.db2.gz NSTMKXKKHIPZAX-JTQLQIEISA-N 1 2 229.327 2.806 10 30 BFEELO SCc1ccc2[nH+]c(C3CC3)[nH]c2c1 ZINC000077298136 183315929 /nfs/dbraw/zinc/31/59/29/183315929.db2.gz LPVRGOMQDMXNGW-UHFFFAOYSA-N 1 2 204.298 2.870 10 30 BFEELO SCc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC000077298136 183315932 /nfs/dbraw/zinc/31/59/32/183315932.db2.gz LPVRGOMQDMXNGW-UHFFFAOYSA-N 1 2 204.298 2.870 10 30 BFEELO CCC[NH2+][C@@H](C#N)CCN(C)c1ccc(C)cc1 ZINC000062438513 169273123 /nfs/dbraw/zinc/27/31/23/169273123.db2.gz WKAIQMWZYYPBJO-CQSZACIVSA-N 1 2 245.370 2.713 10 30 BFEELO C=CC[NH+](CC=C)CP(=O)(OCC)OCC ZINC000143963314 384963700 /nfs/dbraw/zinc/96/37/00/384963700.db2.gz HJDDLKXKJBTCFS-UHFFFAOYSA-N 1 2 247.275 2.884 10 30 BFEELO N#CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000309519945 385657125 /nfs/dbraw/zinc/65/71/25/385657125.db2.gz BCUMVZVYKDRFFX-OLZOCXBDSA-N 1 2 218.275 2.575 10 30 BFEELO N#CCCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195364140 387911334 /nfs/dbraw/zinc/91/13/34/387911334.db2.gz PDTHTSFSKPUHRD-LLVKDONJSA-N 1 2 235.356 2.974 10 30 BFEELO N#CCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195364140 387911337 /nfs/dbraw/zinc/91/13/37/387911337.db2.gz PDTHTSFSKPUHRD-LLVKDONJSA-N 1 2 235.356 2.974 10 30 BFEELO Cc1cc(N2CCCC3(CC3)C2)c(C#N)c(C)[nH+]1 ZINC000302232614 132262300 /nfs/dbraw/zinc/26/23/00/132262300.db2.gz CSFYCSSYLJSQCK-UHFFFAOYSA-N 1 2 241.338 2.951 10 30 BFEELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000220906835 134315227 /nfs/dbraw/zinc/31/52/27/134315227.db2.gz YMAALSQYTVQQAH-NSHDSACASA-N 1 2 241.294 2.706 10 30 BFEELO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@H](C)C#N)C2)cc1 ZINC000248455197 135012402 /nfs/dbraw/zinc/01/24/02/135012402.db2.gz KUKXCWNZTDEJIK-YRGRVCCFSA-N 1 2 244.338 2.785 10 30 BFEELO COc1ccc([C@@H]2C[C@@H](C)[N@H+]([C@H](C)C#N)C2)cc1 ZINC000248455197 135012403 /nfs/dbraw/zinc/01/24/03/135012403.db2.gz KUKXCWNZTDEJIK-YRGRVCCFSA-N 1 2 244.338 2.785 10 30 BFEELO N#CC1(C[NH+]2CCC(c3nccs3)CC2)CC1 ZINC000335355305 136070955 /nfs/dbraw/zinc/07/09/55/136070955.db2.gz JBKFTTDVGWKHHO-UHFFFAOYSA-N 1 2 247.367 2.626 10 30 BFEELO CC(C)[C@@H](C#N)[N@H+](C)Cc1ccccc1 ZINC000071508508 167339990 /nfs/dbraw/zinc/33/99/90/167339990.db2.gz CDLFHUKGLSUHHM-CYBMUJFWSA-N 1 2 202.301 2.667 10 30 BFEELO CC(C)[C@@H](C#N)[N@@H+](C)Cc1ccccc1 ZINC000071508508 167339992 /nfs/dbraw/zinc/33/99/92/167339992.db2.gz CDLFHUKGLSUHHM-CYBMUJFWSA-N 1 2 202.301 2.667 10 30 BFEELO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000048580673 175079499 /nfs/dbraw/zinc/07/94/99/175079499.db2.gz CAUAWMORXZZLHR-VXGBXAGGSA-N 1 2 232.327 2.814 10 30 BFEELO C[C@@H]1CC(C)(C)C[C@](C#N)([NH2+]C2CC2)C1 ZINC000036924794 176052285 /nfs/dbraw/zinc/05/22/85/176052285.db2.gz NVBKWTQVJXSEJL-ZWNOBZJWSA-N 1 2 206.333 2.847 10 30 BFEELO CC1(C)C[C@@H]([NH2+]CCC#N)c2ccccc2O1 ZINC000162990297 324191687 /nfs/dbraw/zinc/19/16/87/324191687.db2.gz AZMAHIYKEHOUQV-GFCCVEGCSA-N 1 2 230.311 2.792 10 30 BFEELO CN(C)/C=[NH+]/c1cccc(C(F)(F)F)c1C#N ZINC000584645699 488023003 /nfs/dbraw/zinc/02/30/03/488023003.db2.gz BPXSYOLWWRKRKE-FRKPEAEDSA-N 1 2 241.216 2.798 10 30 BFEELO Cc1cc(N2CC[C@H](C)[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000301790409 178118938 /nfs/dbraw/zinc/11/89/38/178118938.db2.gz QKIJCDNDFDFFPV-JOYOIKCWSA-N 1 2 229.327 2.805 10 30 BFEELO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)o1 ZINC000182565923 136219184 /nfs/dbraw/zinc/21/91/84/136219184.db2.gz GVARCWUXFLFNFS-VXGBXAGGSA-N 1 2 231.299 2.682 10 30 BFEELO Cc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)o1 ZINC000182565902 136219194 /nfs/dbraw/zinc/21/91/94/136219194.db2.gz GVARCWUXFLFNFS-RYUDHWBXSA-N 1 2 231.299 2.682 10 30 BFEELO Cc1cc(NC2CC=CC2)c(C#N)c(C)[nH+]1 ZINC000135511262 178153402 /nfs/dbraw/zinc/15/34/02/178153402.db2.gz ZCNAGNQFOSYHPE-UHFFFAOYSA-N 1 2 213.284 2.701 10 30 BFEELO Cc1ccc(C#N)c(NCCCn2cc[nH+]c2)c1 ZINC000051578881 178364325 /nfs/dbraw/zinc/36/43/25/178364325.db2.gz XRUGQVFGHZDFRR-UHFFFAOYSA-N 1 2 240.310 2.565 10 30 BFEELO CC(C)CCC#C[C@@H]1C[C@@H]1c1c[nH]c[nH+]1 ZINC000013795253 343104549 /nfs/dbraw/zinc/10/45/49/343104549.db2.gz OWZPODIBWTYIFN-NEPJUHHUSA-N 1 2 202.301 2.953 10 30 BFEELO CC(C)CCC#C[C@@H]1C[C@@H]1c1c[nH+]c[nH]1 ZINC000013795253 343104550 /nfs/dbraw/zinc/10/45/50/343104550.db2.gz OWZPODIBWTYIFN-NEPJUHHUSA-N 1 2 202.301 2.953 10 30 BFEELO Cc1cc(N2CCCSCC2)c(C#N)c(C)[nH+]1 ZINC000157402959 133485957 /nfs/dbraw/zinc/48/59/57/133485957.db2.gz UFUTVFASUZEKEM-UHFFFAOYSA-N 1 2 247.367 2.513 10 30 BFEELO C[C@@]1(C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000208093300 343889643 /nfs/dbraw/zinc/88/96/43/343889643.db2.gz KSDNXKKNELKONC-ZDUSSCGKSA-N 1 2 200.285 2.565 10 30 BFEELO C[C@@]1(C#N)CCC[N@H+]1Cc1ccccc1 ZINC000208093300 343889645 /nfs/dbraw/zinc/88/96/45/343889645.db2.gz KSDNXKKNELKONC-ZDUSSCGKSA-N 1 2 200.285 2.565 10 30 BFEELO Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)n1 ZINC000054825973 344472319 /nfs/dbraw/zinc/47/23/19/344472319.db2.gz SIKCLMJRLGHXLO-GHMZBOCLSA-N 1 2 235.356 2.624 10 30 BFEELO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)n1 ZINC000054829152 344473991 /nfs/dbraw/zinc/47/39/91/344473991.db2.gz KTFLPVHIOIQVLV-GXTWGEPZSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1ccccc1[C@H](C#N)[NH+]1CCCC1 ZINC000019934093 179332663 /nfs/dbraw/zinc/33/26/63/179332663.db2.gz ZCLUWJIRXJJWLR-ZDUSSCGKSA-N 1 2 200.285 2.656 10 30 BFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCCS[C@H]1C ZINC000251348494 362864983 /nfs/dbraw/zinc/86/49/83/362864983.db2.gz LZBGFKLHOPTWBQ-GARJFASQSA-N 1 2 212.362 2.552 10 30 BFEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000595688528 348314022 /nfs/dbraw/zinc/31/40/22/348314022.db2.gz FUOHIMBMZXSLGN-GWCFXTLKSA-N 1 2 249.745 2.907 10 30 BFEELO Cc1cc(C2=CCCCC2=O)cc(C)[nH+]1 ZINC000307679649 352754495 /nfs/dbraw/zinc/75/44/95/352754495.db2.gz RTBRKQWXJLNAOE-UHFFFAOYSA-N 1 2 201.269 2.835 10 30 BFEELO N#CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000035048095 188285075 /nfs/dbraw/zinc/28/50/75/188285075.db2.gz JBMIMIAMUJYXGU-NSHDSACASA-N 1 2 236.315 2.866 10 30 BFEELO N#C[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000034541989 181055547 /nfs/dbraw/zinc/05/55/47/181055547.db2.gz IUJJDQLTJSFFCD-CQSZACIVSA-N 1 2 214.312 2.607 10 30 BFEELO N#C[C@@H]([NH3+])CSc1cc(Cl)ccc1Cl ZINC000045363524 181056549 /nfs/dbraw/zinc/05/65/49/181056549.db2.gz BACGQWKCRDQZQB-SSDOTTSWSA-N 1 2 247.150 2.936 10 30 BFEELO N#C[C@@H]([NH3+])COc1ccc(-c2ccccc2)cc1 ZINC000019665997 181056681 /nfs/dbraw/zinc/05/66/81/181056681.db2.gz VLOFOWXJUAUJST-CQSZACIVSA-N 1 2 238.290 2.583 10 30 BFEELO N#C[C@H]([NH3+])CCSc1ccc2c(c1)CCC2 ZINC000062456282 181064773 /nfs/dbraw/zinc/06/47/73/181064773.db2.gz NFBPCQFORHACOY-GFCCVEGCSA-N 1 2 232.352 2.508 10 30 BFEELO N#C[C@H]([NH3+])CSc1cc(Cl)ccc1Cl ZINC000045363526 181064804 /nfs/dbraw/zinc/06/48/04/181064804.db2.gz BACGQWKCRDQZQB-ZETCQYMHSA-N 1 2 247.150 2.936 10 30 BFEELO C[C@@H]1CCC[C@@H](SC[C@](C)([NH3+])C#N)C1 ZINC000054694919 369087110 /nfs/dbraw/zinc/08/71/10/369087110.db2.gz RQXRABCSZYTCPN-GMTAPVOTSA-N 1 2 212.362 2.539 10 30 BFEELO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(F)c1 ZINC000405028372 369441193 /nfs/dbraw/zinc/44/11/93/369441193.db2.gz OILSLVUTEHZPIN-HZMBPMFUSA-N 1 2 248.301 2.616 10 30 BFEELO CCCCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000156536849 371442031 /nfs/dbraw/zinc/44/20/31/371442031.db2.gz DTWHSZISOTUUCT-UHFFFAOYSA-N 1 2 217.316 2.806 10 30 BFEELO CCC[NH2+][C@@H](C#N)CCOc1ccc(CC)cc1 ZINC000062445914 169273159 /nfs/dbraw/zinc/27/31/59/169273159.db2.gz KUKXSZLLLVXODA-CQSZACIVSA-N 1 2 246.354 2.910 10 30 BFEELO CCC[NH2+][C@@H](C#N)CCOc1ccccc1CC ZINC000062447539 169273774 /nfs/dbraw/zinc/27/37/74/169273774.db2.gz WWTWLHYMCSGEMI-CQSZACIVSA-N 1 2 246.354 2.910 10 30 BFEELO Cc1cc(N(C)CC2CCC2)c(C#N)c(C)[nH+]1 ZINC000157429435 385177879 /nfs/dbraw/zinc/17/78/79/385177879.db2.gz ZBNUVQDYQYDWSE-UHFFFAOYSA-N 1 2 229.327 2.806 10 30 BFEELO C[C@H]([NH2+]CC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039574 385275886 /nfs/dbraw/zinc/27/58/86/385275886.db2.gz DCLPZPIMORHRTQ-MWKHJINRSA-N 1 2 218.344 2.704 10 30 BFEELO CS[C@@H](C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000128810594 386055522 /nfs/dbraw/zinc/05/55/22/386055522.db2.gz MGBCRXDUKCOBRO-VIFPVBQESA-N 1 2 235.356 2.734 10 30 BFEELO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@@H](C)C#N)C2)cc1 ZINC000181898223 134339915 /nfs/dbraw/zinc/33/99/15/134339915.db2.gz KUKXCWNZTDEJIK-MBNYWOFBSA-N 1 2 244.338 2.785 10 30 BFEELO COc1ccc([C@@H]2C[C@@H](C)[N@H+]([C@@H](C)C#N)C2)cc1 ZINC000181898223 134339916 /nfs/dbraw/zinc/33/99/16/134339916.db2.gz KUKXCWNZTDEJIK-MBNYWOFBSA-N 1 2 244.338 2.785 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335285254 136002306 /nfs/dbraw/zinc/00/23/06/136002306.db2.gz SISSDTPUDMQIHB-BXKDBHETSA-N 1 2 235.718 2.517 10 30 BFEELO CC(C)[C@@H](C#N)[NH2+]CCCc1ccccc1 ZINC000057497972 167340484 /nfs/dbraw/zinc/34/04/84/167340484.db2.gz LZWKEEWUFGSPLW-CQSZACIVSA-N 1 2 216.328 2.757 10 30 BFEELO CCOCCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000160501468 170370874 /nfs/dbraw/zinc/37/08/74/170370874.db2.gz KGVJSSJZWJYXCJ-UHFFFAOYSA-N 1 2 247.342 2.799 10 30 BFEELO CN(C)/C=[NH+]/c1c(Cl)cc(N)cc1Cl ZINC000105633256 172352649 /nfs/dbraw/zinc/35/26/49/172352649.db2.gz SSQGDOWIVKQPNA-WLRTZDKTSA-N 1 2 232.114 2.797 10 30 BFEELO COc1ccc([C@H](C)[NH2+]C[C@@H](C)C#N)c(OC)c1 ZINC000054179360 175188581 /nfs/dbraw/zinc/18/85/81/175188581.db2.gz UQMQBVURFNZAJO-QWRGUYRKSA-N 1 2 248.326 2.514 10 30 BFEELO COc1ccccc1C[C@@](C)(C#N)[NH2+]CC(C)C ZINC000037939312 175332611 /nfs/dbraw/zinc/33/26/11/175332611.db2.gz QUMOWTKTTMGKPF-HNNXBMFYSA-N 1 2 246.354 2.766 10 30 BFEELO COc1ccccc1C[C@@](C)(C#N)[NH+]1CCCC1 ZINC000037735076 175332939 /nfs/dbraw/zinc/33/29/39/175332939.db2.gz PBGVIIONLTZQNI-HNNXBMFYSA-N 1 2 244.338 2.616 10 30 BFEELO C[C@@H]1CCCC[C@]1(C#N)[NH2+]C1CCCC1 ZINC000037968397 176090099 /nfs/dbraw/zinc/09/00/99/176090099.db2.gz MKTCLQGECGJOKX-DGCLKSJQSA-N 1 2 206.333 2.991 10 30 BFEELO C[C@@H]1C[C@@H](OCCC/C(N)=[NH+]/O)CC(C)(C)C1 ZINC000034958309 176382920 /nfs/dbraw/zinc/38/29/20/176382920.db2.gz FPWKIPWNGMNUPK-GHMZBOCLSA-N 1 2 242.363 2.744 10 30 BFEELO C=CCn1c2cc(C)c(C)cc2[nH+]c1CCCO ZINC000040310931 187353869 /nfs/dbraw/zinc/35/38/69/187353869.db2.gz JZFYKJHJJWUQOW-UHFFFAOYSA-N 1 2 244.338 2.764 10 30 BFEELO N#Cc1ccc2ccc(Cn3cc[nH+]c3)cc2c1 ZINC000219210990 344267253 /nfs/dbraw/zinc/26/72/53/344267253.db2.gz DIDVAZWRICEBQR-UHFFFAOYSA-N 1 2 233.274 2.956 10 30 BFEELO CC(C)CC=C1C(=O)c2ccccc2C(=O)C1[NH3+] ZINC000027709655 344289610 /nfs/dbraw/zinc/28/96/10/344289610.db2.gz NVZQPCXOHLOGSB-UHFFFAOYSA-N 1 2 243.306 2.715 10 30 BFEELO Cc1ccc2c(c1)CCC(C[C@@H]([NH3+])C#N)=C2 ZINC000034452328 345834105 /nfs/dbraw/zinc/83/41/05/345834105.db2.gz SGIFNQSVXBYNJY-CQSZACIVSA-N 1 2 212.296 2.566 10 30 BFEELO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)nc1 ZINC000401058217 346086718 /nfs/dbraw/zinc/08/67/18/346086718.db2.gz NPOFUIPFSZVFJG-JSGCOSHPSA-N 1 2 229.327 2.562 10 30 BFEELO CC/[NH+]=C/c1ccccc1Br ZINC000197187153 348118002 /nfs/dbraw/zinc/11/80/02/348118002.db2.gz SPIFJULPYCFTKD-YRNVUSSQSA-N 1 2 212.090 2.888 10 30 BFEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000595688535 348313870 /nfs/dbraw/zinc/31/38/70/348313870.db2.gz FUOHIMBMZXSLGN-GXFFZTMASA-N 1 2 249.745 2.907 10 30 BFEELO Cc1[nH+]cn(-c2c(C#N)cnc3ccccc32)c1C ZINC000051926927 180285801 /nfs/dbraw/zinc/28/58/01/180285801.db2.gz LGRYOZUBOOJREC-UHFFFAOYSA-N 1 2 248.289 2.909 10 30 BFEELO N#CCCCCn1cc[nH+]c1-c1cccc(N)c1 ZINC000049578605 188299179 /nfs/dbraw/zinc/29/91/79/188299179.db2.gz GZVCOHALAMMGED-UHFFFAOYSA-N 1 2 240.310 2.826 10 30 BFEELO CC(C)C[C@@H](C#N)[NH2+]CCc1ccccc1 ZINC000057497968 188301604 /nfs/dbraw/zinc/30/16/04/188301604.db2.gz WCBNAVLZYWBYFL-AWEZNQCLSA-N 1 2 216.328 2.757 10 30 BFEELO N#CC1([NH2+]C2CCCCC2)CCSCC1 ZINC000041048803 181030387 /nfs/dbraw/zinc/03/03/87/181030387.db2.gz OHSPOJNRXMKNRI-UHFFFAOYSA-N 1 2 224.373 2.698 10 30 BFEELO N#CC12CCC(CC1)[N@@H+]2Cc1ccccc1 ZINC000057218780 181031662 /nfs/dbraw/zinc/03/16/62/181031662.db2.gz LYWOJXJUFXNXDD-UHFFFAOYSA-N 1 2 212.296 2.707 10 30 BFEELO N#CC12CCC(CC1)[N@H+]2Cc1ccccc1 ZINC000057218780 181031663 /nfs/dbraw/zinc/03/16/63/181031663.db2.gz LYWOJXJUFXNXDD-UHFFFAOYSA-N 1 2 212.296 2.707 10 30 BFEELO N#C[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000034541987 181063556 /nfs/dbraw/zinc/06/35/56/181063556.db2.gz IUJJDQLTJSFFCD-AWEZNQCLSA-N 1 2 214.312 2.607 10 30 BFEELO N#C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccco1 ZINC000054824445 181067639 /nfs/dbraw/zinc/06/76/39/181067639.db2.gz XVGVVEYWPURLTQ-DGCLKSJQSA-N 1 2 218.300 2.842 10 30 BFEELO N#C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000054824446 181067727 /nfs/dbraw/zinc/06/77/27/181067727.db2.gz XVGVVEYWPURLTQ-YPMHNXCESA-N 1 2 218.300 2.842 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[N@H+](Cc1ccco1)C1CC1 ZINC000042693000 181068604 /nfs/dbraw/zinc/06/86/04/181068604.db2.gz FSXXAAISZIBNIU-RISCZKNCSA-N 1 2 230.311 2.936 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[N@@H+](Cc1ccco1)C1CC1 ZINC000042693000 181068605 /nfs/dbraw/zinc/06/86/05/181068605.db2.gz FSXXAAISZIBNIU-RISCZKNCSA-N 1 2 230.311 2.936 10 30 BFEELO N#Cc1cc(Cl)ccc1NCc1[nH]cc[nH+]1 ZINC000070819949 181087456 /nfs/dbraw/zinc/08/74/56/181087456.db2.gz XWOWXWSFHXADSK-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO N#Cc1ccc(Cl)cc1NCc1[nH]cc[nH+]1 ZINC000049714963 181111884 /nfs/dbraw/zinc/11/18/84/181111884.db2.gz VURMZGXZXTWJHB-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO Cc1ccccc1NC1=[NH+][C@@H](C)CS1 ZINC000035295164 356697139 /nfs/dbraw/zinc/69/71/39/356697139.db2.gz GHDOFHSENJXZST-VIFPVBQESA-N 1 2 206.314 2.707 10 30 BFEELO Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000230686506 357549965 /nfs/dbraw/zinc/54/99/65/357549965.db2.gz HXBBHGMJVBMPGB-FZMZJTMJSA-N 1 2 232.302 2.916 10 30 BFEELO Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000230686501 357550279 /nfs/dbraw/zinc/55/02/79/357550279.db2.gz HXBBHGMJVBMPGB-SMDDNHRTSA-N 1 2 232.302 2.916 10 30 BFEELO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000247554371 359234356 /nfs/dbraw/zinc/23/43/56/359234356.db2.gz SWKOALBXSIYDBK-CHWSQXEVSA-N 1 2 243.310 2.860 10 30 BFEELO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000247554371 359234361 /nfs/dbraw/zinc/23/43/61/359234361.db2.gz SWKOALBXSIYDBK-CHWSQXEVSA-N 1 2 243.310 2.860 10 30 BFEELO CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2C#N)o1 ZINC000385550179 359288388 /nfs/dbraw/zinc/28/83/88/359288388.db2.gz WVVOXJNYKHHROJ-NWDGAFQWSA-N 1 2 247.342 2.717 10 30 BFEELO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1F ZINC000335626549 365295759 /nfs/dbraw/zinc/29/57/59/365295759.db2.gz SQFDNDVBMCHESQ-AAEUAGOBSA-N 1 2 232.302 2.916 10 30 BFEELO Cc1cc(NCc2ccco2)c(C#N)c(C)[nH+]1 ZINC000156533616 371442390 /nfs/dbraw/zinc/44/23/90/371442390.db2.gz UCBUGGAVGOPLKZ-UHFFFAOYSA-N 1 2 227.267 2.775 10 30 BFEELO CCC[NH2+][C@H](C#N)CCOc1ccc(CC)cc1 ZINC000062445912 169283815 /nfs/dbraw/zinc/28/38/15/169283815.db2.gz KUKXSZLLLVXODA-AWEZNQCLSA-N 1 2 246.354 2.910 10 30 BFEELO CCC(O)(CC)CNc1cc(C)[nH+]c(C)c1C#N ZINC000157587276 384224842 /nfs/dbraw/zinc/22/48/42/384224842.db2.gz REFYCEHRLFBXCV-UHFFFAOYSA-N 1 2 247.342 2.533 10 30 BFEELO C=CCCOCCNc1cc(C)[nH+]c(C)c1C#N ZINC000229870633 384453461 /nfs/dbraw/zinc/45/34/61/384453461.db2.gz XIUXJIQTCUYPMZ-UHFFFAOYSA-N 1 2 245.326 2.575 10 30 BFEELO C[C@H]([NH2+]CCC#N)c1cc(F)ccc1F ZINC000020199868 388526966 /nfs/dbraw/zinc/52/69/66/388526966.db2.gz YXFTUBOYBDCEPT-QMMMGPOBSA-N 1 2 210.227 2.529 10 30 BFEELO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404333 134217543 /nfs/dbraw/zinc/21/75/43/134217543.db2.gz SWKOALBXSIYDBK-QWHCGFSZSA-N 1 2 243.310 2.860 10 30 BFEELO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404333 134217544 /nfs/dbraw/zinc/21/75/44/134217544.db2.gz SWKOALBXSIYDBK-QWHCGFSZSA-N 1 2 243.310 2.860 10 30 BFEELO C[C@H](C#N)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181917161 134340497 /nfs/dbraw/zinc/34/04/97/134340497.db2.gz RHCFPBIWQYPYKX-IUODEOHRSA-N 1 2 243.354 2.802 10 30 BFEELO C[C@H](C#N)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181917161 134340498 /nfs/dbraw/zinc/34/04/98/134340498.db2.gz RHCFPBIWQYPYKX-IUODEOHRSA-N 1 2 243.354 2.802 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335285257 136002302 /nfs/dbraw/zinc/00/23/02/136002302.db2.gz SISSDTPUDMQIHB-SKDRFNHKSA-N 1 2 235.718 2.517 10 30 BFEELO CC(C)CC[NH2+][C@H](C#N)Cc1ccccc1 ZINC000071519868 166866372 /nfs/dbraw/zinc/86/63/72/166866372.db2.gz JUJJZRFDQFNCGG-AWEZNQCLSA-N 1 2 216.328 2.757 10 30 BFEELO CC(C)C[NH2+][C@](C)(C#N)CCc1ccc(O)cc1 ZINC000037939203 167014673 /nfs/dbraw/zinc/01/46/73/167014673.db2.gz DRDCWDMPNRHQGZ-HNNXBMFYSA-N 1 2 246.354 2.853 10 30 BFEELO CC(C)[NH2+][C@H](C#N)CCOCC1CCCCC1 ZINC000062450890 167136483 /nfs/dbraw/zinc/13/64/83/167136483.db2.gz YZZRMVSTYCKXDG-AWEZNQCLSA-N 1 2 238.375 2.864 10 30 BFEELO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)C[C@@H](C)C#N)C1 ZINC000042455353 171044852 /nfs/dbraw/zinc/04/48/52/171044852.db2.gz PSTQVHBSHYZBKJ-REWJHTLYSA-N 1 2 233.359 2.796 10 30 BFEELO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)C[C@@H](C)C#N)C1 ZINC000042455353 171044854 /nfs/dbraw/zinc/04/48/54/171044854.db2.gz PSTQVHBSHYZBKJ-REWJHTLYSA-N 1 2 233.359 2.796 10 30 BFEELO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000048580667 175079357 /nfs/dbraw/zinc/07/93/57/175079357.db2.gz CAUAWMORXZZLHR-NWDGAFQWSA-N 1 2 232.327 2.814 10 30 BFEELO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000048580670 175080849 /nfs/dbraw/zinc/08/08/49/175080849.db2.gz CAUAWMORXZZLHR-RYUDHWBXSA-N 1 2 232.327 2.814 10 30 BFEELO C[C@H](C#N)Nc1ccc([NH+]2CCCC2)cc1 ZINC000057497471 176555418 /nfs/dbraw/zinc/55/54/18/176555418.db2.gz XBNJURFXDSBKHP-LLVKDONJSA-N 1 2 215.300 2.611 10 30 BFEELO C[C@@H](C#N)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000054179406 176856413 /nfs/dbraw/zinc/85/64/13/176856413.db2.gz IZIMKTHCRGOGBB-IUCAKERBSA-N 1 2 224.254 2.775 10 30 BFEELO Cc1cc(N2CC[C@H](C)[C@@H]2C)c(C#N)c(C)[nH+]1 ZINC000160768625 178119486 /nfs/dbraw/zinc/11/94/86/178119486.db2.gz QKIJCDNDFDFFPV-CABZTGNLSA-N 1 2 229.327 2.805 10 30 BFEELO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000602608181 349630878 /nfs/dbraw/zinc/63/08/78/349630878.db2.gz QKQFIUFLVWLTKP-RISCZKNCSA-N 1 2 232.302 2.916 10 30 BFEELO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(F)c1 ZINC000602608180 349631144 /nfs/dbraw/zinc/63/11/44/349631144.db2.gz QKQFIUFLVWLTKP-FZMZJTMJSA-N 1 2 232.302 2.916 10 30 BFEELO N#Cc1cccc2c1[nH+]c(N)n2Cc1ccccc1 ZINC000135064102 343707351 /nfs/dbraw/zinc/70/73/51/343707351.db2.gz MIMVZGJGVKYXAS-UHFFFAOYSA-N 1 2 248.289 2.538 10 30 BFEELO CC(C)[C@@H](C)[NH2+][C@H](C#N)Cc1ccccc1 ZINC000381511559 344514853 /nfs/dbraw/zinc/51/48/53/344514853.db2.gz RDCBDMIPPWPVBR-OCCSQVGLSA-N 1 2 216.328 2.755 10 30 BFEELO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccccc1C#N ZINC000616636423 351125325 /nfs/dbraw/zinc/12/53/25/351125325.db2.gz GKQDQARJZAFWCQ-CQSZACIVSA-N 1 2 244.338 2.730 10 30 BFEELO CC(C)(C)[N@H+]1CCOC[C@@H]1c1ccccc1C#N ZINC000616636423 351125328 /nfs/dbraw/zinc/12/53/28/351125328.db2.gz GKQDQARJZAFWCQ-CQSZACIVSA-N 1 2 244.338 2.730 10 30 BFEELO N#CCCCCn1cc[nH+]c1-c1ccc(N)cc1 ZINC000049578607 188125103 /nfs/dbraw/zinc/12/51/03/188125103.db2.gz BVDNKLLWKNVWEM-UHFFFAOYSA-N 1 2 240.310 2.826 10 30 BFEELO N#Cc1ccc(-c2[nH]c3c(cccc3N)[nH+]2)cc1 ZINC000104192117 188150266 /nfs/dbraw/zinc/15/02/66/188150266.db2.gz PZNQCSVIEDNJBH-UHFFFAOYSA-N 1 2 234.262 2.684 10 30 BFEELO N#C[C@@H]([NH3+])CCSc1cccc(Cl)c1 ZINC000062458535 181055987 /nfs/dbraw/zinc/05/59/87/181055987.db2.gz LTGPFRXFQZOFAA-VIFPVBQESA-N 1 2 226.732 2.673 10 30 BFEELO N#C[C@H](Cc1ccccc1)[NH+]1CCCCCC1 ZINC000038086139 181063470 /nfs/dbraw/zinc/06/34/70/181063470.db2.gz UJORXXCHGIVEBM-HNNXBMFYSA-N 1 2 228.339 2.997 10 30 BFEELO N#C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccco1 ZINC000054824447 181058164 /nfs/dbraw/zinc/05/81/64/181058164.db2.gz XVGVVEYWPURLTQ-WCQYABFASA-N 1 2 218.300 2.842 10 30 BFEELO N/C(CCCO[C@H]1CCCc2ccccc21)=[NH+]\O ZINC000019475489 181182654 /nfs/dbraw/zinc/18/26/54/181182654.db2.gz ZYOPOKGOKJUXCX-ZDUSSCGKSA-N 1 2 248.326 2.607 10 30 BFEELO N/C(CCCSc1ccc(Cl)cc1)=[NH+]\O ZINC000019847688 181183161 /nfs/dbraw/zinc/18/31/61/181183161.db2.gz IONHKZOYOUOZEX-UHFFFAOYSA-N 1 2 244.747 2.959 10 30 BFEELO CCCCCC(O)=C([N+]#N)C(=O)OCC ZINC000584603324 358261904 /nfs/dbraw/zinc/26/19/04/358261904.db2.gz WUGFWCXCLNVLJN-UHFFFAOYSA-O 1 2 213.257 2.752 10 30 BFEELO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)n1 ZINC000054829148 369101944 /nfs/dbraw/zinc/10/19/44/369101944.db2.gz KTFLPVHIOIQVLV-OCCSQVGLSA-N 1 2 229.327 2.562 10 30 BFEELO CC#CCC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000155332039 384712593 /nfs/dbraw/zinc/71/25/93/384712593.db2.gz SYXMOPUNOGGRHH-LBPRGKRZSA-N 1 2 247.342 2.743 10 30 BFEELO CC#CCC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000155332039 384712598 /nfs/dbraw/zinc/71/25/98/384712598.db2.gz SYXMOPUNOGGRHH-LBPRGKRZSA-N 1 2 247.342 2.743 10 30 BFEELO C=CC[C@H](CO)Nc1[nH+]c2ccccc2cc1C ZINC000302135715 384963918 /nfs/dbraw/zinc/96/39/18/384963918.db2.gz MIGZPWPIZOOURE-CYBMUJFWSA-N 1 2 242.322 2.892 10 30 BFEELO C[C@@H](C#N)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000181871589 134339829 /nfs/dbraw/zinc/33/98/29/134339829.db2.gz VXMBVYVWJGMRBD-LBPRGKRZSA-N 1 2 206.333 2.945 10 30 BFEELO C[C@@H](C#N)[N@H+]1CCCC2(CCCCC2)C1 ZINC000181871589 134339830 /nfs/dbraw/zinc/33/98/30/134339830.db2.gz VXMBVYVWJGMRBD-LBPRGKRZSA-N 1 2 206.333 2.945 10 30 BFEELO C[C@@H](C#N)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248464874 135011856 /nfs/dbraw/zinc/01/18/56/135011856.db2.gz RHCFPBIWQYPYKX-WFASDCNBSA-N 1 2 243.354 2.802 10 30 BFEELO C[C@@H](C#N)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248464874 135011858 /nfs/dbraw/zinc/01/18/58/135011858.db2.gz RHCFPBIWQYPYKX-WFASDCNBSA-N 1 2 243.354 2.802 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000342785745 135318583 /nfs/dbraw/zinc/31/85/83/135318583.db2.gz SLCFTQYGPDWZRB-CMPLNLGQSA-N 1 2 247.367 2.802 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000061891821 398107598 /nfs/dbraw/zinc/10/75/98/398107598.db2.gz IPOQBNKMGTUHBH-ZANVPECISA-N 1 2 236.265 2.747 10 30 BFEELO CC(C)C[NH2+][C@]1(C#N)CCc2ccccc2C1 ZINC000037939305 167015768 /nfs/dbraw/zinc/01/57/68/167015768.db2.gz SBUFYCDPOJBLSD-OAHLLOKOSA-N 1 2 228.339 2.683 10 30 BFEELO CC1CCC(C#N)([NH2+]C2CCCC2)CC1 ZINC000020177990 168149777 /nfs/dbraw/zinc/14/97/77/168149777.db2.gz AMXXVZSRVNPTKO-UHFFFAOYSA-N 1 2 206.333 2.991 10 30 BFEELO CC[C@@H]1C[C@H]1Nc1cc(C)[nH+]c(C)c1C#N ZINC000227593772 171142533 /nfs/dbraw/zinc/14/25/33/171142533.db2.gz NCANUCULUISVTF-ZYHUDNBSSA-N 1 2 215.300 2.781 10 30 BFEELO C[NH2+]C1(C#N)CCC(c2ccccc2)CC1 ZINC000020378713 173321121 /nfs/dbraw/zinc/32/11/21/173321121.db2.gz NIYJZYAJLIKOEQ-UHFFFAOYSA-N 1 2 214.312 2.826 10 30 BFEELO CNc1cc(COc2ccc(C#N)cc2)cc[nH+]1 ZINC000052754529 173474275 /nfs/dbraw/zinc/47/42/75/173474275.db2.gz YPGKOPCTUKTBIL-UHFFFAOYSA-N 1 2 239.278 2.574 10 30 BFEELO COC1(CNc2cc(C)[nH+]c(C)c2C#N)CCC1 ZINC000227304908 174004864 /nfs/dbraw/zinc/00/48/64/174004864.db2.gz XQVVFEXEQVQLNZ-UHFFFAOYSA-N 1 2 245.326 2.551 10 30 BFEELO COc1ccc(CC[C@](C)(C#N)[NH2+]C(C)C)cc1 ZINC000037846547 175094080 /nfs/dbraw/zinc/09/40/80/175094080.db2.gz QUVVGIFHSUKOIS-OAHLLOKOSA-N 1 2 246.354 2.908 10 30 BFEELO C[C@@H](c1ccccc1)[C@@H](C#N)[NH+]1CCCC1 ZINC000041046493 176021607 /nfs/dbraw/zinc/02/16/07/176021607.db2.gz XEWMUCIOJKCBNV-GXTWGEPZSA-N 1 2 214.312 2.778 10 30 BFEELO C[C@@]([NH3+])(C#N)CSc1ccccc1Cl ZINC000045218136 176509584 /nfs/dbraw/zinc/50/95/84/176509584.db2.gz GWZQPMZOBCDRJZ-SNVBAGLBSA-N 1 2 226.732 2.673 10 30 BFEELO C[C@@H]([NH2+]C[C@H](C)C#N)c1ccccc1F ZINC000042207193 176553613 /nfs/dbraw/zinc/55/36/13/176553613.db2.gz PBINICORFLFSRG-NXEZZACHSA-N 1 2 206.264 2.636 10 30 BFEELO C[C@H](OCCCC/C(N)=[NH+]/O)c1ccccc1 ZINC000049580383 177020943 /nfs/dbraw/zinc/02/09/43/177020943.db2.gz IKJWVLJNJXHIPD-NSHDSACASA-N 1 2 236.315 2.681 10 30 BFEELO C[C@H]1CCCC[C@]1(C#N)[NH2+]C1CCCC1 ZINC000037968398 177090364 /nfs/dbraw/zinc/09/03/64/177090364.db2.gz MKTCLQGECGJOKX-WCQYABFASA-N 1 2 206.333 2.991 10 30 BFEELO CN1CCc2cc([NH2+]CCCCC#N)ccc21 ZINC000757123829 582498366 /nfs/dbraw/zinc/49/83/66/582498366.db2.gz ASTOTEYEMJBPMW-UHFFFAOYSA-N 1 2 229.327 2.785 10 30 BFEELO Cc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)o1 ZINC000182565935 136219201 /nfs/dbraw/zinc/21/92/01/136219201.db2.gz GVARCWUXFLFNFS-NWDGAFQWSA-N 1 2 231.299 2.682 10 30 BFEELO Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)c(C#N)c(C)[nH+]1 ZINC000301801204 178122171 /nfs/dbraw/zinc/12/21/71/178122171.db2.gz VZOZUVFMQFATBL-BETUJISGSA-N 1 2 241.338 2.662 10 30 BFEELO Cc1cc(NC[C@@]2(C)CCCO2)c(C#N)c(C)[nH+]1 ZINC000127356091 178167752 /nfs/dbraw/zinc/16/77/52/178167752.db2.gz DBCUJGCLIVINND-CQSZACIVSA-N 1 2 245.326 2.551 10 30 BFEELO Cc1ccc(C)c(OCCC/C(N)=[NH+]/O)c1C ZINC000037382385 178488019 /nfs/dbraw/zinc/48/80/19/178488019.db2.gz OXMSZHBOUFVQFY-UHFFFAOYSA-N 1 2 236.315 2.517 10 30 BFEELO Cc1ccoc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000309453627 347065105 /nfs/dbraw/zinc/06/51/05/347065105.db2.gz PAVZGSZZOWLOTF-RYUDHWBXSA-N 1 2 218.300 2.760 10 30 BFEELO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158631882 345358090 /nfs/dbraw/zinc/35/80/90/345358090.db2.gz LKBMOGVSPAPGML-ZDUSSCGKSA-N 1 2 221.300 2.537 10 30 BFEELO C=C(C)C[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158631882 345358092 /nfs/dbraw/zinc/35/80/92/345358092.db2.gz LKBMOGVSPAPGML-ZDUSSCGKSA-N 1 2 221.300 2.537 10 30 BFEELO Cc1cccc(C[N@H+](CCC#N)C2CC2)c1 ZINC000042248066 179071719 /nfs/dbraw/zinc/07/17/19/179071719.db2.gz HUDSBBOHGLPWSS-UHFFFAOYSA-N 1 2 214.312 2.873 10 30 BFEELO Cc1cccc(C[N@@H+](CCC#N)C2CC2)c1 ZINC000042248066 179071721 /nfs/dbraw/zinc/07/17/21/179071721.db2.gz HUDSBBOHGLPWSS-UHFFFAOYSA-N 1 2 214.312 2.873 10 30 BFEELO COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000310843428 347311776 /nfs/dbraw/zinc/31/17/76/347311776.db2.gz LBSFPUISWIDHEF-ZWNOBZJWSA-N 1 2 248.301 2.616 10 30 BFEELO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000309453626 350515245 /nfs/dbraw/zinc/51/52/45/350515245.db2.gz PAVZGSZZOWLOTF-NWDGAFQWSA-N 1 2 218.300 2.760 10 30 BFEELO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccccc1C#N ZINC000616641240 351147970 /nfs/dbraw/zinc/14/79/70/351147970.db2.gz GKQDQARJZAFWCQ-AWEZNQCLSA-N 1 2 244.338 2.730 10 30 BFEELO CC(C)(C)[N@H+]1CCOC[C@H]1c1ccccc1C#N ZINC000616641240 351147974 /nfs/dbraw/zinc/14/79/74/351147974.db2.gz GKQDQARJZAFWCQ-AWEZNQCLSA-N 1 2 244.338 2.730 10 30 BFEELO C=C(Cl)CSc1ccc(N)[nH+]c1 ZINC000037192702 187768874 /nfs/dbraw/zinc/76/88/74/187768874.db2.gz IKVFDGGIMNYCHZ-UHFFFAOYSA-N 1 2 200.694 2.508 10 30 BFEELO CC(C)[N@H+](CCC#N)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000042528769 188120365 /nfs/dbraw/zinc/12/03/65/188120365.db2.gz SRGMAVVYNXFSDP-MGPQQGTHSA-N 1 2 233.359 2.939 10 30 BFEELO CC(C)[N@@H+](CCC#N)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000042528769 188120367 /nfs/dbraw/zinc/12/03/67/188120367.db2.gz SRGMAVVYNXFSDP-MGPQQGTHSA-N 1 2 233.359 2.939 10 30 BFEELO N#CC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000055016056 181044970 /nfs/dbraw/zinc/04/49/70/181044970.db2.gz MLZCCYAUAYJBRH-OAHLLOKOSA-N 1 2 237.306 2.826 10 30 BFEELO N#C[C@@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000062452751 181055722 /nfs/dbraw/zinc/05/57/22/181055722.db2.gz FTTCPXVUWREDPD-VIFPVBQESA-N 1 2 226.732 2.673 10 30 BFEELO N#C[C@@H]([NH3+])CSc1ccc2ccccc2c1 ZINC000045365770 181056562 /nfs/dbraw/zinc/05/65/62/181056562.db2.gz NTVRKUZNAJGRDW-GFCCVEGCSA-N 1 2 228.320 2.783 10 30 BFEELO N#C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000054824448 181058802 /nfs/dbraw/zinc/05/88/02/181058802.db2.gz XVGVVEYWPURLTQ-AAEUAGOBSA-N 1 2 218.300 2.842 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000054824084 181068566 /nfs/dbraw/zinc/06/85/66/181068566.db2.gz OXAPNUKYHKKDKO-MFKMUULPSA-N 1 2 218.275 2.608 10 30 BFEELO [NH2+]=CNc1nc(-c2ccccn2)cc2ccccc21 ZINC000013781344 181183979 /nfs/dbraw/zinc/18/39/79/181183979.db2.gz RPFFLRYCJWUOBP-UHFFFAOYSA-N 1 2 248.289 2.915 10 30 BFEELO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)c1ccccn1 ZINC000160849041 358964949 /nfs/dbraw/zinc/96/49/49/358964949.db2.gz LLGVQDZFVUJQTH-OBJOEFQTSA-N 1 2 229.327 2.815 10 30 BFEELO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)n1 ZINC000054829147 369102183 /nfs/dbraw/zinc/10/21/83/369102183.db2.gz KTFLPVHIOIQVLV-TZMCWYRMSA-N 1 2 229.327 2.562 10 30 BFEELO Fc1c(Cl)cccc1NC1=[NH+]CCC1 ZINC000068268006 372960714 /nfs/dbraw/zinc/96/07/14/372960714.db2.gz HIHWSJQZMNBSKQ-UHFFFAOYSA-N 1 2 212.655 2.893 10 30 BFEELO CCC[NH2+][C@H](C#N)CCOc1cccc(C)c1C ZINC000062445788 169284152 /nfs/dbraw/zinc/28/41/52/169284152.db2.gz DYDVLNHJXRXPSC-AWEZNQCLSA-N 1 2 246.354 2.964 10 30 BFEELO CCC[NH2+][C@H](C#N)CCOc1ccccc1CC ZINC000062447538 169283858 /nfs/dbraw/zinc/28/38/58/169283858.db2.gz WWTWLHYMCSGEMI-AWEZNQCLSA-N 1 2 246.354 2.910 10 30 BFEELO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)o1 ZINC000135131396 384051905 /nfs/dbraw/zinc/05/19/05/384051905.db2.gz OHDTUEKSVZYJCG-SNVBAGLBSA-N 1 2 230.267 2.904 10 30 BFEELO CCOc1cccc(/C=[NH+]/[C@@H]2C[C@@H]2C)c1O ZINC000076008355 384351565 /nfs/dbraw/zinc/35/15/65/384351565.db2.gz BYGVDQSEUWSBDY-DPFKOWGQSA-N 1 2 219.284 2.618 10 30 BFEELO Cc1cc(N[C@@H]2CCCSC2)c(C#N)c(C)[nH+]1 ZINC000158084640 384849442 /nfs/dbraw/zinc/84/94/42/384849442.db2.gz KYGFXUXUGXSLKW-LLVKDONJSA-N 1 2 247.367 2.878 10 30 BFEELO Cc1ccc(C[N@@H+](C)CC2(C#N)CCC2)o1 ZINC000258954008 384954575 /nfs/dbraw/zinc/95/45/75/384954575.db2.gz RCMHALLIRIJITC-UHFFFAOYSA-N 1 2 218.300 2.714 10 30 BFEELO Cc1ccc(C[N@H+](C)CC2(C#N)CCC2)o1 ZINC000258954008 384954580 /nfs/dbraw/zinc/95/45/80/384954580.db2.gz RCMHALLIRIJITC-UHFFFAOYSA-N 1 2 218.300 2.714 10 30 BFEELO N#CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000309519942 385657836 /nfs/dbraw/zinc/65/78/36/385657836.db2.gz BCUMVZVYKDRFFX-CHWSQXEVSA-N 1 2 218.275 2.575 10 30 BFEELO CO[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000231682103 385823076 /nfs/dbraw/zinc/82/30/76/385823076.db2.gz BKADPPVLXZFVNJ-NEPJUHHUSA-N 1 2 245.326 2.550 10 30 BFEELO C[C@@H]1CC[C@@]2(CC[N@@H+](C(C)(C)C#N)C2)C1 ZINC000118968262 134223887 /nfs/dbraw/zinc/22/38/87/134223887.db2.gz OTQHONNTMLILJZ-DGCLKSJQSA-N 1 2 206.333 2.801 10 30 BFEELO C[C@@H]1CC[C@@]2(CC[N@H+](C(C)(C)C#N)C2)C1 ZINC000118968262 134223888 /nfs/dbraw/zinc/22/38/88/134223888.db2.gz OTQHONNTMLILJZ-DGCLKSJQSA-N 1 2 206.333 2.801 10 30 BFEELO C=CCSCCNc1cc(C)[nH+]c(C)c1C#N ZINC000227593390 134385567 /nfs/dbraw/zinc/38/55/67/134385567.db2.gz FXOTYPZAUBRBSU-UHFFFAOYSA-N 1 2 247.367 2.901 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000061891819 398107671 /nfs/dbraw/zinc/10/76/71/398107671.db2.gz IPOQBNKMGTUHBH-RNCFNFMXSA-N 1 2 236.265 2.747 10 30 BFEELO CCc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)o1 ZINC000061892561 398107783 /nfs/dbraw/zinc/10/77/83/398107783.db2.gz NBLWZYVCPJJTSB-GWCFXTLKSA-N 1 2 218.300 2.624 10 30 BFEELO CC[C@H](C)[NH2+][C@@]1(C#N)CCc2ccccc2C1 ZINC000038064519 171347419 /nfs/dbraw/zinc/34/74/19/171347419.db2.gz QYMYHUJFHJTBFP-WFASDCNBSA-N 1 2 228.339 2.826 10 30 BFEELO COc1ccc([NH2+][C@@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000054823119 175154386 /nfs/dbraw/zinc/15/43/86/175154386.db2.gz MGCOKYBPQBMBSX-ZYHUDNBSSA-N 1 2 246.310 2.808 10 30 BFEELO CSCC[C@@H](C#N)[NH2+]C1CCCCCC1 ZINC000037970368 175501560 /nfs/dbraw/zinc/50/15/60/175501560.db2.gz ZZICSJFQMOPDCW-LBPRGKRZSA-N 1 2 226.389 2.944 10 30 BFEELO C[C@@H](OCCCC/C(N)=[NH+]/O)c1ccccc1 ZINC000049580384 176002711 /nfs/dbraw/zinc/00/27/11/176002711.db2.gz IKJWVLJNJXHIPD-LLVKDONJSA-N 1 2 236.315 2.681 10 30 BFEELO C[C@@H]1CCC[C@@](C#N)([NH2+]C2CCCC2)C1 ZINC000037968407 176132829 /nfs/dbraw/zinc/13/28/29/176132829.db2.gz MTCYMHPRRPTCIL-DGCLKSJQSA-N 1 2 206.333 2.991 10 30 BFEELO Cc1[nH+]cc(CS)n1-c1ccccc1 ZINC000757164486 582546134 /nfs/dbraw/zinc/54/61/34/582546134.db2.gz HADIYZGYXTVCRN-UHFFFAOYSA-N 1 2 204.298 2.611 10 30 BFEELO Cc1cc(N(C)c2cccc(C#N)c2)nc(C)[nH+]1 ZINC000061957369 178102336 /nfs/dbraw/zinc/10/23/36/178102336.db2.gz LQRIUXWDJGAXJF-UHFFFAOYSA-N 1 2 238.294 2.733 10 30 BFEELO Cc1cc([N@@H+](CCC#N)C(C)C)ccc1N ZINC000042528842 178102436 /nfs/dbraw/zinc/10/24/36/178102436.db2.gz FBMGYNCLGNGBJI-UHFFFAOYSA-N 1 2 217.316 2.706 10 30 BFEELO Cc1cc([N@H+](CCC#N)C(C)C)ccc1N ZINC000042528842 178102438 /nfs/dbraw/zinc/10/24/38/178102438.db2.gz FBMGYNCLGNGBJI-UHFFFAOYSA-N 1 2 217.316 2.706 10 30 BFEELO Cc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)o1 ZINC000182565886 136219227 /nfs/dbraw/zinc/21/92/27/136219227.db2.gz GVARCWUXFLFNFS-NEPJUHHUSA-N 1 2 231.299 2.682 10 30 BFEELO Cc1cc(NCCc2ccco2)c(C#N)c(C)[nH+]1 ZINC000127346150 178162775 /nfs/dbraw/zinc/16/27/75/178162775.db2.gz WBMDHWICQFTRCE-UHFFFAOYSA-N 1 2 241.294 2.818 10 30 BFEELO Cc1cc(NCc2ccncc2)c(C#N)c(C)[nH+]1 ZINC000157383212 398250059 /nfs/dbraw/zinc/25/00/59/398250059.db2.gz CKRDPXFWMHALDE-UHFFFAOYSA-N 1 2 238.294 2.577 10 30 BFEELO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(F)c1 ZINC000602608182 349631138 /nfs/dbraw/zinc/63/11/38/349631138.db2.gz QKQFIUFLVWLTKP-SMDDNHRTSA-N 1 2 232.302 2.916 10 30 BFEELO C[C@@H]([NH2+]CC#CC(C)(C)C)C(C)(F)F ZINC000306563653 343854557 /nfs/dbraw/zinc/85/45/57/343854557.db2.gz VVOPZRYJIFXSIT-SECBINFHSA-N 1 2 203.276 2.669 10 30 BFEELO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)o1 ZINC000054829810 178633633 /nfs/dbraw/zinc/63/36/33/178633633.db2.gz WWLYLELORLOXRV-AAEUAGOBSA-N 1 2 218.300 2.760 10 30 BFEELO Cc1cccc(C)c1OCCCC/C(N)=[NH+]/O ZINC000049580418 179046795 /nfs/dbraw/zinc/04/67/95/179046795.db2.gz LERHKMDAPYBAPD-UHFFFAOYSA-N 1 2 236.315 2.599 10 30 BFEELO Cc1cccnc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000071340124 179385257 /nfs/dbraw/zinc/38/52/57/179385257.db2.gz JFFRDIMJPYHHJU-OLZOCXBDSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1nc([C@@H](C)[NH2+]C[C@H](C)C#N)c(C)s1 ZINC000054179695 180038337 /nfs/dbraw/zinc/03/83/37/180038337.db2.gz ZCOWCOKQMXNMSW-HTQZYQBOSA-N 1 2 223.345 2.570 10 30 BFEELO Cc1[nH+]c[nH]c1CNc1ccc(Cl)c(C#N)c1 ZINC000054795075 180122076 /nfs/dbraw/zinc/12/20/76/180122076.db2.gz JAIZUGNFDSURSO-UHFFFAOYSA-N 1 2 246.701 2.855 10 30 BFEELO Cc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000328151583 350376314 /nfs/dbraw/zinc/37/63/14/350376314.db2.gz FLDYIUUQHFWWQX-GXTWGEPZSA-N 1 2 229.327 2.562 10 30 BFEELO C=C(Br)CNc1ccc([NH3+])cc1C ZINC000168183270 351335570 /nfs/dbraw/zinc/33/55/70/351335570.db2.gz MHYOJQKSZLDXKC-UHFFFAOYSA-N 1 2 241.132 2.898 10 30 BFEELO CC(C)(C)c1cccc(OCC[C@H]([NH3+])C#N)c1 ZINC000019666611 188107708 /nfs/dbraw/zinc/10/77/08/188107708.db2.gz LTOUKRZBXKFFPW-LBPRGKRZSA-N 1 2 232.327 2.604 10 30 BFEELO N#CCc1ccc(Oc2cc[nH+]cc2N)cc1 ZINC000020370569 188108471 /nfs/dbraw/zinc/10/84/71/188108471.db2.gz QZPCLBLXMVBSBK-UHFFFAOYSA-N 1 2 225.251 2.522 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000335183660 181068486 /nfs/dbraw/zinc/06/84/86/181068486.db2.gz DOFHXQFVCIPOLU-SKDRFNHKSA-N 1 2 235.718 2.517 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000061891850 181069639 /nfs/dbraw/zinc/06/96/39/181069639.db2.gz JEBRMMUBEJZQJL-PSASIEDQSA-N 1 2 224.691 2.715 10 30 BFEELO N#Cc1c(N)[nH+]ccc1Nc1ccc(Cl)cc1 ZINC000033898474 181078277 /nfs/dbraw/zinc/07/82/77/181078277.db2.gz XEKCWFOWFZFELV-UHFFFAOYSA-N 1 2 244.685 2.932 10 30 BFEELO C=CC/[NH+]=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000584657205 358308612 /nfs/dbraw/zinc/30/86/12/358308612.db2.gz SVOXAXAHRPSBNO-FMIVXFBMSA-N 1 2 204.229 2.590 10 30 BFEELO CC[C@H](C#N)[N@@H+]1CCC[C@@H](SC)CC1 ZINC000300804589 360512138 /nfs/dbraw/zinc/51/21/38/360512138.db2.gz GBISNICEHJCCIZ-GHMZBOCLSA-N 1 2 212.362 2.506 10 30 BFEELO CC[C@H](C#N)[N@H+]1CCC[C@@H](SC)CC1 ZINC000300804589 360512146 /nfs/dbraw/zinc/51/21/46/360512146.db2.gz GBISNICEHJCCIZ-GHMZBOCLSA-N 1 2 212.362 2.506 10 30 BFEELO C[C@@H]1CCC[C@H](SC[C@](C)([NH3+])C#N)C1 ZINC000054694916 369087346 /nfs/dbraw/zinc/08/73/46/369087346.db2.gz RQXRABCSZYTCPN-OUAUKWLOSA-N 1 2 212.362 2.539 10 30 BFEELO Cc1cc(N2CCC(C)CC2)c(C#N)c(C)[nH+]1 ZINC000156538235 371441949 /nfs/dbraw/zinc/44/19/49/371441949.db2.gz REBQUFJUUATUIK-UHFFFAOYSA-N 1 2 229.327 2.806 10 30 BFEELO C[C@@H]1CCC[C@@H](SC[C@@](C)([NH3+])C#N)C1 ZINC000226537189 371691335 /nfs/dbraw/zinc/69/13/35/371691335.db2.gz RQXRABCSZYTCPN-MXWKQRLJSA-N 1 2 212.362 2.539 10 30 BFEELO CCC[NH2+][C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000020379989 169284453 /nfs/dbraw/zinc/28/44/53/169284453.db2.gz FROHLBBOQXDDAQ-CQSZACIVSA-N 1 2 232.327 2.607 10 30 BFEELO C[C@H](C#N)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000181871610 134340215 /nfs/dbraw/zinc/34/02/15/134340215.db2.gz VXMBVYVWJGMRBD-GFCCVEGCSA-N 1 2 206.333 2.945 10 30 BFEELO C[C@H](C#N)[N@H+]1CCCC2(CCCCC2)C1 ZINC000181871610 134340216 /nfs/dbraw/zinc/34/02/16/134340216.db2.gz VXMBVYVWJGMRBD-GFCCVEGCSA-N 1 2 206.333 2.945 10 30 BFEELO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)o1 ZINC000135131414 384051923 /nfs/dbraw/zinc/05/19/23/384051923.db2.gz OHDTUEKSVZYJCG-JTQLQIEISA-N 1 2 230.267 2.904 10 30 BFEELO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccn1 ZINC000054825143 384818896 /nfs/dbraw/zinc/81/88/96/384818896.db2.gz LLGVQDZFVUJQTH-SCRDCRAPSA-N 1 2 229.327 2.815 10 30 BFEELO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2C#N)sc1C ZINC000336145075 384922847 /nfs/dbraw/zinc/92/28/47/384922847.db2.gz PLWQBODVJPVNJW-GHMZBOCLSA-N 1 2 235.356 2.542 10 30 BFEELO Cc1nc(C[NH2+][C@@H]2CCC[C@H]2C#N)sc1C ZINC000336145078 384923353 /nfs/dbraw/zinc/92/33/53/384923353.db2.gz PLWQBODVJPVNJW-WDEREUQCSA-N 1 2 235.356 2.542 10 30 BFEELO C[C@@H]1CSC(Nc2ccc(F)cc2)=[NH+]1 ZINC000035294938 387071209 /nfs/dbraw/zinc/07/12/09/387071209.db2.gz LTEXBCSUMNGGNR-SSDOTTSWSA-N 1 2 210.277 2.538 10 30 BFEELO CSC1(CNc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000227989478 388375632 /nfs/dbraw/zinc/37/56/32/388375632.db2.gz RNYBMGGWZBZXAN-UHFFFAOYSA-N 1 2 247.367 2.878 10 30 BFEELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000227556016 134383338 /nfs/dbraw/zinc/38/33/38/134383338.db2.gz GCJIDNCPCSBRHV-SECBINFHSA-N 1 2 247.323 2.767 10 30 BFEELO C[C@@H](C#N)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248447873 135010446 /nfs/dbraw/zinc/01/04/46/135010446.db2.gz HOOKUPLTYMQLSM-QWHCGFSZSA-N 1 2 204.317 2.721 10 30 BFEELO C[C@@H](C#N)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248447873 135010449 /nfs/dbraw/zinc/01/04/49/135010449.db2.gz HOOKUPLTYMQLSM-QWHCGFSZSA-N 1 2 204.317 2.721 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000061891818 398107504 /nfs/dbraw/zinc/10/75/04/398107504.db2.gz IPOQBNKMGTUHBH-NOZJJQNGSA-N 1 2 236.265 2.747 10 30 BFEELO CC(C)[NH2+][C@](C)(C#N)CCc1ccc(O)cc1 ZINC000036924658 167141765 /nfs/dbraw/zinc/14/17/65/167141765.db2.gz RKLQOMWUZPJVFY-AWEZNQCLSA-N 1 2 232.327 2.605 10 30 BFEELO CC[NH2+][C@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846542 170169555 /nfs/dbraw/zinc/16/95/55/170169555.db2.gz ZERKTDDZBWZIBD-AWEZNQCLSA-N 1 2 232.327 2.520 10 30 BFEELO CN(CCC(C)(C)C)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000061950551 172671921 /nfs/dbraw/zinc/67/19/21/172671921.db2.gz TZWNLYGFSLVQOH-UHFFFAOYSA-N 1 2 249.358 2.654 10 30 BFEELO COc1cccc(C[N@H+](CCC#N)C2CC2)c1 ZINC000042549197 175257685 /nfs/dbraw/zinc/25/76/85/175257685.db2.gz PSKQPQLQYQBQMN-UHFFFAOYSA-N 1 2 230.311 2.573 10 30 BFEELO COc1cccc(C[N@@H+](CCC#N)C2CC2)c1 ZINC000042549197 175257687 /nfs/dbraw/zinc/25/76/87/175257687.db2.gz PSKQPQLQYQBQMN-UHFFFAOYSA-N 1 2 230.311 2.573 10 30 BFEELO C[C@H]1CC(C)(C)C[C@](C#N)([NH2+]C2CC2)C1 ZINC000036924795 177063897 /nfs/dbraw/zinc/06/38/97/177063897.db2.gz NVBKWTQVJXSEJL-GXFFZTMASA-N 1 2 206.333 2.847 10 30 BFEELO C[C@H]1CCC[C@](C#N)([NH2+]C2CCCC2)C1 ZINC000037968410 177143340 /nfs/dbraw/zinc/14/33/40/177143340.db2.gz MTCYMHPRRPTCIL-AAEUAGOBSA-N 1 2 206.333 2.991 10 30 BFEELO CC[C@H]1C[C@@H]1Nc1cc(C)[nH+]c(C)c1C#N ZINC000227593763 487481349 /nfs/dbraw/zinc/48/13/49/487481349.db2.gz NCANUCULUISVTF-JQWIXIFHSA-N 1 2 215.300 2.781 10 30 BFEELO Cn1cc[nH+]c1[C@H](S)c1cccs1 ZINC000757160215 582543490 /nfs/dbraw/zinc/54/34/90/582543490.db2.gz MICYEKQZMFUFTJ-MRVPVSSYSA-N 1 2 210.327 2.501 10 30 BFEELO Cc1cc(N(C)c2ccccc2C#N)[nH+]cc1N ZINC000077383922 178102859 /nfs/dbraw/zinc/10/28/59/178102859.db2.gz HBUSMBLVNXOKGW-UHFFFAOYSA-N 1 2 238.294 2.612 10 30 BFEELO Cc1ccc(C#N)cc1-n1c[nH+]c2cc(N)ccc21 ZINC000052853346 178366745 /nfs/dbraw/zinc/36/67/45/178366745.db2.gz YSGOWWFRQMJQBW-UHFFFAOYSA-N 1 2 248.289 2.788 10 30 BFEELO C=CC[NH+](CC=C)CC(=O)c1ccc(F)cc1 ZINC000150109100 342797153 /nfs/dbraw/zinc/79/71/53/342797153.db2.gz JJKGZYWAXSFESF-UHFFFAOYSA-N 1 2 233.286 2.682 10 30 BFEELO CCN(C)/C=[NH+]\c1nc2ccccc2s1 ZINC000045236132 343526401 /nfs/dbraw/zinc/52/64/01/343526401.db2.gz BNMVZWKLQLVDPQ-WQLSENKSSA-N 1 2 219.313 2.908 10 30 BFEELO COc1cc(/C=[NH+]/C(C)C)cc(OC)c1OC ZINC000032257294 345760483 /nfs/dbraw/zinc/76/04/83/345760483.db2.gz MAWBQYAEKGSTLX-RIYZIHGNSA-N 1 2 237.299 2.540 10 30 BFEELO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)nc1 ZINC000401058213 346086543 /nfs/dbraw/zinc/08/65/43/346086543.db2.gz NPOFUIPFSZVFJG-GXTWGEPZSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)sc1C ZINC000595688984 348314721 /nfs/dbraw/zinc/31/47/21/348314721.db2.gz JQUWLSDSZWPDDI-VXGBXAGGSA-N 1 2 249.383 2.932 10 30 BFEELO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000054826253 179970621 /nfs/dbraw/zinc/97/06/21/179970621.db2.gz ODLVLZSJQGFGPL-ZYHUDNBSSA-N 1 2 235.356 2.624 10 30 BFEELO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cs1 ZINC000054826255 179971677 /nfs/dbraw/zinc/97/16/77/179971677.db2.gz ODLVLZSJQGFGPL-CMPLNLGQSA-N 1 2 235.356 2.624 10 30 BFEELO Cc1[nH+]c[nH]c1CNc1ccc(C#N)c(Cl)c1 ZINC000054794516 180121635 /nfs/dbraw/zinc/12/16/35/180121635.db2.gz KZMXMJKFFGHNDR-UHFFFAOYSA-N 1 2 246.701 2.855 10 30 BFEELO Cc1[nH+]c[nH]c1CNc1cc(C#N)cc(F)c1C ZINC000054795801 180121705 /nfs/dbraw/zinc/12/17/05/180121705.db2.gz VRBQCSUQJQFLJO-UHFFFAOYSA-N 1 2 244.273 2.649 10 30 BFEELO C=C(C)CN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000135523814 353564774 /nfs/dbraw/zinc/56/47/74/353564774.db2.gz JBZGMDALVZVLMV-UHFFFAOYSA-N 1 2 215.300 2.582 10 30 BFEELO N#CC1([NH2+]C[C@@H]2CCCO2)CCCCCCC1 ZINC000037940146 181030518 /nfs/dbraw/zinc/03/05/18/181030518.db2.gz FIUIPOLYXGQAQF-ZDUSSCGKSA-N 1 2 236.359 2.762 10 30 BFEELO N#C[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000037968427 181055457 /nfs/dbraw/zinc/05/54/57/181055457.db2.gz IQHWGKZUCJOVIQ-CQSZACIVSA-N 1 2 214.312 2.653 10 30 BFEELO N#C[C@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000037968426 181063378 /nfs/dbraw/zinc/06/33/78/181063378.db2.gz IQHWGKZUCJOVIQ-AWEZNQCLSA-N 1 2 214.312 2.653 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000061891853 181060151 /nfs/dbraw/zinc/06/01/51/181060151.db2.gz JEBRMMUBEJZQJL-WPRPVWTQSA-N 1 2 224.691 2.715 10 30 BFEELO N/C(=[NH+]\O)c1ccc(N2CCCCCCC2)cc1 ZINC000020265969 181181796 /nfs/dbraw/zinc/18/17/96/181181796.db2.gz ABFLDUHDEITGHT-UHFFFAOYSA-N 1 2 247.342 2.552 10 30 BFEELO Cc1cc(NCCC2CC2)c(C#N)c(C)[nH+]1 ZINC000087975132 356380771 /nfs/dbraw/zinc/38/07/71/356380771.db2.gz AEKLCTJZAJLFEJ-UHFFFAOYSA-N 1 2 215.300 2.782 10 30 BFEELO CCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000087969398 356382303 /nfs/dbraw/zinc/38/23/03/356382303.db2.gz MIXDNWOVDNKJEB-UHFFFAOYSA-N 1 2 203.289 2.782 10 30 BFEELO CCCCC(=CC(O)=C([N+]#N)C(=O)OC)OC ZINC000584606905 358266600 /nfs/dbraw/zinc/26/66/00/358266600.db2.gz OIUHJVFJILZLTD-BQYQJAHWSA-O 1 2 241.267 2.503 10 30 BFEELO CC[C@@H](C#N)[N@@H+]1CCC[C@H](SC)CC1 ZINC000300804596 360512628 /nfs/dbraw/zinc/51/26/28/360512628.db2.gz GBISNICEHJCCIZ-QWRGUYRKSA-N 1 2 212.362 2.506 10 30 BFEELO CC[C@@H](C#N)[N@H+]1CCC[C@H](SC)CC1 ZINC000300804596 360512635 /nfs/dbraw/zinc/51/26/35/360512635.db2.gz GBISNICEHJCCIZ-QWRGUYRKSA-N 1 2 212.362 2.506 10 30 BFEELO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1F ZINC000335626551 365295021 /nfs/dbraw/zinc/29/50/21/365295021.db2.gz SQFDNDVBMCHESQ-WCQYABFASA-N 1 2 232.302 2.916 10 30 BFEELO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccn1 ZINC000054825141 384818996 /nfs/dbraw/zinc/81/89/96/384818996.db2.gz LLGVQDZFVUJQTH-OUCADQQQSA-N 1 2 229.327 2.815 10 30 BFEELO N#CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000309519947 385657826 /nfs/dbraw/zinc/65/78/26/385657826.db2.gz BCUMVZVYKDRFFX-QWHCGFSZSA-N 1 2 218.275 2.575 10 30 BFEELO CCc1ccccc1NC1=[NH+]CCS1 ZINC000012368504 385991324 /nfs/dbraw/zinc/99/13/24/385991324.db2.gz AYHFLYLMGVTSJU-UHFFFAOYSA-N 1 2 206.314 2.573 10 30 BFEELO C[C@@H](C#N)[NH+]1CCC2(CCCCC2)CC1 ZINC000061819909 386539245 /nfs/dbraw/zinc/53/92/45/386539245.db2.gz KSDUBXFUEUNFSS-LBPRGKRZSA-N 1 2 206.333 2.945 10 30 BFEELO C[C@H](C#N)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884693 134340013 /nfs/dbraw/zinc/34/00/13/134340013.db2.gz HOOKUPLTYMQLSM-OLZOCXBDSA-N 1 2 204.317 2.721 10 30 BFEELO C[C@H](C#N)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884693 134340014 /nfs/dbraw/zinc/34/00/14/134340014.db2.gz HOOKUPLTYMQLSM-OLZOCXBDSA-N 1 2 204.317 2.721 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335285255 136002329 /nfs/dbraw/zinc/00/23/29/136002329.db2.gz SISSDTPUDMQIHB-CABZTGNLSA-N 1 2 235.718 2.517 10 30 BFEELO CC(C)[NH2+][C@H](C#N)CCO[C@H]1CCC[C@@H](C)C1 ZINC000062441496 167137355 /nfs/dbraw/zinc/13/73/55/167137355.db2.gz OXPRURQALMQZFW-RDBSUJKOSA-N 1 2 238.375 2.862 10 30 BFEELO CC(C)[NH2+][C@@H](C#N)[C@H](C)c1ccccc1 ZINC000041046394 167129398 /nfs/dbraw/zinc/12/93/98/167129398.db2.gz DQEXAQMMBONNEU-YPMHNXCESA-N 1 2 202.301 2.680 10 30 BFEELO COc1ccc(CC[C@@](C)(C#N)[NH2+]C(C)C)cc1 ZINC000037846546 175093437 /nfs/dbraw/zinc/09/34/37/175093437.db2.gz QUVVGIFHSUKOIS-HNNXBMFYSA-N 1 2 246.354 2.908 10 30 BFEELO C=CCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757128193 582503150 /nfs/dbraw/zinc/50/31/50/582503150.db2.gz JLCUIZKURYTFHZ-UHFFFAOYSA-N 1 2 202.301 2.667 10 30 BFEELO Cc1cc(N(C)c2ccc(C#N)cc2)nc(C)[nH+]1 ZINC000061957082 178102803 /nfs/dbraw/zinc/10/28/03/178102803.db2.gz BNVQZSMUYKHIKF-UHFFFAOYSA-N 1 2 238.294 2.733 10 30 BFEELO N#CC1([NH+]2CCC(F)CC2)CCCCC1 ZINC000145594193 342761166 /nfs/dbraw/zinc/76/11/66/342761166.db2.gz NKVSOGBZVJTFKK-UHFFFAOYSA-N 1 2 210.296 2.647 10 30 BFEELO CC(C)Cc1ccc(-n2cc[nH+]c2)c(C#N)c1 ZINC000165262579 343139239 /nfs/dbraw/zinc/13/92/39/343139239.db2.gz BOQFAOKHBYAREF-UHFFFAOYSA-N 1 2 225.295 2.942 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829041 136372947 /nfs/dbraw/zinc/37/29/47/136372947.db2.gz YLWYBYZUJMHLGA-NOZJJQNGSA-N 1 2 236.265 2.747 10 30 BFEELO Cc1ccoc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000309453625 347065404 /nfs/dbraw/zinc/06/54/04/347065404.db2.gz PAVZGSZZOWLOTF-NEPJUHHUSA-N 1 2 218.300 2.760 10 30 BFEELO C=CC[C@@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC000235427933 344909858 /nfs/dbraw/zinc/90/98/58/344909858.db2.gz XAVGYWVNCKGSMZ-SSDOTTSWSA-N 1 2 211.696 2.694 10 30 BFEELO CCOC(C)(C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000159443623 345435592 /nfs/dbraw/zinc/43/55/92/345435592.db2.gz WAJDNMYTSQKRHC-UHFFFAOYSA-N 1 2 247.342 2.797 10 30 BFEELO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)nc1 ZINC000401058224 346081064 /nfs/dbraw/zinc/08/10/64/346081064.db2.gz NPOFUIPFSZVFJG-OCCSQVGLSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)nc1 ZINC000401058234 346081103 /nfs/dbraw/zinc/08/11/03/346081103.db2.gz NPOFUIPFSZVFJG-TZMCWYRMSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1cccc(N(C)CC[C@@H](C#N)[NH2+]C(C)C)c1 ZINC000062438483 179116549 /nfs/dbraw/zinc/11/65/49/179116549.db2.gz CMDWRJODALFBMY-AWEZNQCLSA-N 1 2 245.370 2.712 10 30 BFEELO Cc1cccc(N(C)CC[C@H](C#N)[NH2+]C(C)C)c1 ZINC000062438485 179116693 /nfs/dbraw/zinc/11/66/93/179116693.db2.gz CMDWRJODALFBMY-CQSZACIVSA-N 1 2 245.370 2.712 10 30 BFEELO Cc1cccnc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000071340126 179385231 /nfs/dbraw/zinc/38/52/31/179385231.db2.gz JFFRDIMJPYHHJU-STQMWFEESA-N 1 2 229.327 2.562 10 30 BFEELO Cc1ncsc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000104430355 180312182 /nfs/dbraw/zinc/31/21/82/180312182.db2.gz YVCNDCJZYGCTLU-GHMZBOCLSA-N 1 2 235.356 2.576 10 30 BFEELO Cc1ncsc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000104430355 180312184 /nfs/dbraw/zinc/31/21/84/180312184.db2.gz YVCNDCJZYGCTLU-GHMZBOCLSA-N 1 2 235.356 2.576 10 30 BFEELO Cc1ncsc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000104430361 180315056 /nfs/dbraw/zinc/31/50/56/180315056.db2.gz YVCNDCJZYGCTLU-MNOVXSKESA-N 1 2 235.356 2.576 10 30 BFEELO Cc1ncsc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000104430361 180315059 /nfs/dbraw/zinc/31/50/59/180315059.db2.gz YVCNDCJZYGCTLU-MNOVXSKESA-N 1 2 235.356 2.576 10 30 BFEELO Cc1ccnc(C[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000328151586 350376407 /nfs/dbraw/zinc/37/64/07/350376407.db2.gz FLDYIUUQHFWWQX-JSGCOSHPSA-N 1 2 229.327 2.562 10 30 BFEELO CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cs1 ZINC000328158097 350376547 /nfs/dbraw/zinc/37/65/47/350376547.db2.gz UQMITVPHAQQASE-CMPLNLGQSA-N 1 2 249.383 2.877 10 30 BFEELO Cc1ccc(SCC[C@@H]([NH3+])C#N)cc1C ZINC000062455215 188184440 /nfs/dbraw/zinc/18/44/40/188184440.db2.gz APSRIBUVSJZKEG-LLVKDONJSA-N 1 2 220.341 2.637 10 30 BFEELO C=C[C@@H]1C[NH+]=C(Nc2ccccc2)S1 ZINC000005137918 188450908 /nfs/dbraw/zinc/45/09/08/188450908.db2.gz HQQCIYSNQIQLBA-SNVBAGLBSA-N 1 2 204.298 2.565 10 30 BFEELO N#CC([NH3+])(Cc1ccccc1)Cc1ccccc1 ZINC000022222270 181027854 /nfs/dbraw/zinc/02/78/54/181027854.db2.gz MNEPDEQJSZAMHK-UHFFFAOYSA-N 1 2 236.318 2.693 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000061891852 181061008 /nfs/dbraw/zinc/06/10/08/181061008.db2.gz JEBRMMUBEJZQJL-WCBMZHEXSA-N 1 2 224.691 2.715 10 30 BFEELO N#Cc1ccc(CSc2ccc(N)[nH+]c2)cc1 ZINC000037192648 181111006 /nfs/dbraw/zinc/11/10/06/181111006.db2.gz RTDUUAMXGQQLRY-UHFFFAOYSA-N 1 2 241.319 2.828 10 30 BFEELO N#Cc1ccc(Cl)cc1NCc1c[nH+]c[nH]1 ZINC000054764305 181111964 /nfs/dbraw/zinc/11/19/64/181111964.db2.gz RRQQZXKFDYMDEI-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO N#Cc1ccc(Cl)cc1NCc1c[nH]c[nH+]1 ZINC000054764305 181111966 /nfs/dbraw/zinc/11/19/66/181111966.db2.gz RRQQZXKFDYMDEI-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000335183657 355082061 /nfs/dbraw/zinc/08/20/61/355082061.db2.gz DOFHXQFVCIPOLU-BXKDBHETSA-N 1 2 235.718 2.517 10 30 BFEELO N/C(CCCO[C@@H]1CCCc2ccccc21)=[NH+]\O ZINC000019475487 181182624 /nfs/dbraw/zinc/18/26/24/181182624.db2.gz ZYOPOKGOKJUXCX-CYBMUJFWSA-N 1 2 248.326 2.607 10 30 BFEELO C[C@@H]1CC[C@]2(CC[N@@H+](C(C)(C)C#N)C2)C1 ZINC000118968078 134224059 /nfs/dbraw/zinc/22/40/59/134224059.db2.gz OTQHONNTMLILJZ-YPMHNXCESA-N 1 2 206.333 2.801 10 30 BFEELO C[C@@H]1CC[C@]2(CC[N@H+](C(C)(C)C#N)C2)C1 ZINC000118968078 134224060 /nfs/dbraw/zinc/22/40/60/134224060.db2.gz OTQHONNTMLILJZ-YPMHNXCESA-N 1 2 206.333 2.801 10 30 BFEELO [NH3+][C@H](/C(=N/O)c1ccccc1)c1ccccc1 ZINC000584603711 358262564 /nfs/dbraw/zinc/26/25/64/358262564.db2.gz KCVKKSLEPBLAEF-YZGLPLCXSA-N 1 2 226.279 2.565 10 30 BFEELO CC[C@H](C#N)[N@@H+]1CCC[C@H](SC)CC1 ZINC000300804593 360512896 /nfs/dbraw/zinc/51/28/96/360512896.db2.gz GBISNICEHJCCIZ-MNOVXSKESA-N 1 2 212.362 2.506 10 30 BFEELO CC[C@H](C#N)[N@H+]1CCC[C@H](SC)CC1 ZINC000300804593 360512899 /nfs/dbraw/zinc/51/28/99/360512899.db2.gz GBISNICEHJCCIZ-MNOVXSKESA-N 1 2 212.362 2.506 10 30 BFEELO CCC[NH2+][C@H](C#N)CCN(C)c1ccc(C)cc1 ZINC000062438511 169284042 /nfs/dbraw/zinc/28/40/42/169284042.db2.gz WKAIQMWZYYPBJO-AWEZNQCLSA-N 1 2 245.370 2.713 10 30 BFEELO Cc1cc(N2C[C@H](C)[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000157458093 385188789 /nfs/dbraw/zinc/18/87/89/385188789.db2.gz OCNXQQDBDXIMSI-UWVGGRQHSA-N 1 2 229.327 2.662 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000342785751 135318539 /nfs/dbraw/zinc/31/85/39/135318539.db2.gz SLCFTQYGPDWZRB-JQWIXIFHSA-N 1 2 247.367 2.802 10 30 BFEELO Cc1cc(NCC(C)C)c(C#N)c(C)[nH+]1 ZINC000087969405 135514618 /nfs/dbraw/zinc/51/46/18/135514618.db2.gz HHXFLLUBVJZMLV-UHFFFAOYSA-N 1 2 203.289 2.638 10 30 BFEELO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)o1 ZINC000061892558 398107887 /nfs/dbraw/zinc/10/78/87/398107887.db2.gz NBLWZYVCPJJTSB-ZWNOBZJWSA-N 1 2 218.300 2.624 10 30 BFEELO CCC(C)(C)c1ccc(OCC[C@H]([NH3+])C#N)cc1 ZINC000062446254 168305550 /nfs/dbraw/zinc/30/55/50/168305550.db2.gz FLKGIRWJQFIGKY-ZDUSSCGKSA-N 1 2 246.354 2.994 10 30 BFEELO CCNc1cc(C[N@H+](CCC#N)C(C)C)ccn1 ZINC000052729782 170171966 /nfs/dbraw/zinc/17/19/66/170171966.db2.gz FEKNTWUXTCIRPH-UHFFFAOYSA-N 1 2 246.358 2.637 10 30 BFEELO CCNc1cc(C[N@@H+](CCC#N)C(C)C)ccn1 ZINC000052729782 170171967 /nfs/dbraw/zinc/17/19/67/170171967.db2.gz FEKNTWUXTCIRPH-UHFFFAOYSA-N 1 2 246.358 2.637 10 30 BFEELO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](CC)CCC#N)C1 ZINC000042450545 171046537 /nfs/dbraw/zinc/04/65/37/171046537.db2.gz YOWBQFYMWWEPQJ-MGPQQGTHSA-N 1 2 233.359 2.940 10 30 BFEELO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](CC)CCC#N)C1 ZINC000042450545 171046540 /nfs/dbraw/zinc/04/65/40/171046540.db2.gz YOWBQFYMWWEPQJ-MGPQQGTHSA-N 1 2 233.359 2.940 10 30 BFEELO COc1ccc(/C=N/NC2=[NH+]CCCCC2)cc1 ZINC000003213923 175048834 /nfs/dbraw/zinc/04/88/34/175048834.db2.gz WDADAMAONNDWKR-LFIBNONCSA-N 1 2 245.326 2.591 10 30 BFEELO COc1ccc([NH2+]CCCC#N)c(C)c1 ZINC000039105341 175150653 /nfs/dbraw/zinc/15/06/53/175150653.db2.gz CWTJEPCWJTZCIP-UHFFFAOYSA-N 1 2 204.273 2.719 10 30 BFEELO COc1ccc([C@H](C)[NH2+]C[C@H](C)C#N)c(OC)c1 ZINC000054179358 175188386 /nfs/dbraw/zinc/18/83/86/175188386.db2.gz UQMQBVURFNZAJO-MNOVXSKESA-N 1 2 248.326 2.514 10 30 BFEELO C[C@H]1C[C@@H](OCCC/C(N)=[NH+]/O)CC(C)(C)C1 ZINC000034958310 177338689 /nfs/dbraw/zinc/33/86/89/177338689.db2.gz FPWKIPWNGMNUPK-WDEREUQCSA-N 1 2 242.363 2.744 10 30 BFEELO C[C@H]1C[C@H](OCCC/C(N)=[NH+]/O)CC(C)(C)C1 ZINC000034958308 177374590 /nfs/dbraw/zinc/37/45/90/177374590.db2.gz FPWKIPWNGMNUPK-QWRGUYRKSA-N 1 2 242.363 2.744 10 30 BFEELO Cc1cc(N2CC[C@@H](C)[C@@H]2C)c(C#N)c(C)[nH+]1 ZINC000160768746 178117835 /nfs/dbraw/zinc/11/78/35/178117835.db2.gz QKIJCDNDFDFFPV-SKDRFNHKSA-N 1 2 229.327 2.805 10 30 BFEELO Cc1cc(N2C[C@H]3CCC[C@@H]3C2)c(C#N)c(C)[nH+]1 ZINC000125087582 178122690 /nfs/dbraw/zinc/12/26/90/178122690.db2.gz QWANWOKTJOQMLB-CHWSQXEVSA-N 1 2 241.338 2.806 10 30 BFEELO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000602608179 349630713 /nfs/dbraw/zinc/63/07/13/349630713.db2.gz QKQFIUFLVWLTKP-BXUZGUMPSA-N 1 2 232.302 2.916 10 30 BFEELO CC[C@H]1C[NH+]=C(Nc2ccccc2)S1 ZINC000026441369 343105175 /nfs/dbraw/zinc/10/51/75/343105175.db2.gz IMIAIEHSUWQWLJ-JTQLQIEISA-N 1 2 206.314 2.789 10 30 BFEELO CC[C@@H]1C[NH+]=C(Nc2ccccc2)S1 ZINC000026441365 343105264 /nfs/dbraw/zinc/10/52/64/343105264.db2.gz IMIAIEHSUWQWLJ-SNVBAGLBSA-N 1 2 206.314 2.789 10 30 BFEELO CC#CCC[N@@H+]1CCC(Cl)=C(Cl)C1 ZINC000306624919 343879608 /nfs/dbraw/zinc/87/96/08/343879608.db2.gz GETGVLXDMSIDSP-UHFFFAOYSA-N 1 2 218.127 2.795 10 30 BFEELO CC#CCC[N@H+]1CCC(Cl)=C(Cl)C1 ZINC000306624919 343879609 /nfs/dbraw/zinc/87/96/09/343879609.db2.gz GETGVLXDMSIDSP-UHFFFAOYSA-N 1 2 218.127 2.795 10 30 BFEELO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C#N)n1 ZINC000054829155 344474170 /nfs/dbraw/zinc/47/41/70/344474170.db2.gz KTFLPVHIOIQVLV-JSGCOSHPSA-N 1 2 229.327 2.562 10 30 BFEELO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C#N)c(C)s1 ZINC000054179691 180037781 /nfs/dbraw/zinc/03/77/81/180037781.db2.gz ZCOWCOKQMXNMSW-JGVFFNPUSA-N 1 2 223.345 2.570 10 30 BFEELO Cc1nc([C@H](C)[NH2+]C[C@H](C)C#N)c(C)s1 ZINC000054179697 180048924 /nfs/dbraw/zinc/04/89/24/180048924.db2.gz ZCOWCOKQMXNMSW-SFYZADRCSA-N 1 2 223.345 2.570 10 30 BFEELO CCC[N@H+](CC#N)C[C@H]1CCOc2ccccc21 ZINC000162838582 350442652 /nfs/dbraw/zinc/44/26/52/350442652.db2.gz OTTJCBSGMOASFS-CYBMUJFWSA-N 1 2 244.338 2.788 10 30 BFEELO CCC[N@@H+](CC#N)C[C@H]1CCOc2ccccc21 ZINC000162838582 350442657 /nfs/dbraw/zinc/44/26/57/350442657.db2.gz OTTJCBSGMOASFS-CYBMUJFWSA-N 1 2 244.338 2.788 10 30 BFEELO CC#CC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189793975 188080735 /nfs/dbraw/zinc/08/07/35/188080735.db2.gz GIBLJOIUCSEGIO-LBPRGKRZSA-N 1 2 220.341 2.612 10 30 BFEELO CC#CC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189793975 188080737 /nfs/dbraw/zinc/08/07/37/188080737.db2.gz GIBLJOIUCSEGIO-LBPRGKRZSA-N 1 2 220.341 2.612 10 30 BFEELO CC(C)(C)c1ccccc1OCC[C@@H]([NH3+])C#N ZINC000019666602 188107812 /nfs/dbraw/zinc/10/78/12/188107812.db2.gz NFWCUJNOCUEKIP-LLVKDONJSA-N 1 2 232.327 2.604 10 30 BFEELO CC(C)=CCNc1cc(C)[nH+]c(C)c1C#N ZINC000232636653 353747225 /nfs/dbraw/zinc/74/72/25/353747225.db2.gz IIXQBTWAUKQQSS-UHFFFAOYSA-N 1 2 215.300 2.948 10 30 BFEELO N#C[C@@H]([NH3+])CCSc1nc2ccccc2s1 ZINC000062452689 181055276 /nfs/dbraw/zinc/05/52/76/181055276.db2.gz HELVSEGHZVNWIS-QMMMGPOBSA-N 1 2 249.364 2.629 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000104241321 181061153 /nfs/dbraw/zinc/06/11/53/181061153.db2.gz AJPBSGACZZJXAL-JOYOIKCWSA-N 1 2 236.265 2.747 10 30 BFEELO N#Cc1ccc(CN2CCc3cc([NH3+])ccc32)cc1 ZINC000019875034 181105464 /nfs/dbraw/zinc/10/54/64/181105464.db2.gz GZMNTUPIXURMQR-UHFFFAOYSA-N 1 2 249.317 2.703 10 30 BFEELO N#Cc1ccc(NCc2c[nH+]c[nH]2)cc1Cl ZINC000054764005 181123475 /nfs/dbraw/zinc/12/34/75/181123475.db2.gz WBGYZMYWZHRKLW-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO N#Cc1ccc(NCc2c[nH]c[nH+]2)cc1Cl ZINC000054764005 181123476 /nfs/dbraw/zinc/12/34/76/181123476.db2.gz WBGYZMYWZHRKLW-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO N#Cc1ccc2c(c1)CCC=C2n1cc[nH+]c1 ZINC000013827131 181132512 /nfs/dbraw/zinc/13/25/12/181132512.db2.gz WMFHHZOZJZSADW-UHFFFAOYSA-N 1 2 221.263 2.590 10 30 BFEELO C=CC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000173705789 166396935 /nfs/dbraw/zinc/39/69/35/166396935.db2.gz VSVQPVRFRLRLED-UHFFFAOYSA-N 1 2 235.331 2.738 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000335183658 355081681 /nfs/dbraw/zinc/08/16/81/355081681.db2.gz DOFHXQFVCIPOLU-CABZTGNLSA-N 1 2 235.718 2.517 10 30 BFEELO Cc1ccc2c(c1)C=C(C[C@@H]([NH3+])C#N)CC2 ZINC000039039886 358217190 /nfs/dbraw/zinc/21/71/90/358217190.db2.gz FHJHLPIYQREDMT-CQSZACIVSA-N 1 2 212.296 2.566 10 30 BFEELO CC[C@H](C#N)[N@@H+]1CCSC(C)(C)CC1 ZINC000231046368 358540763 /nfs/dbraw/zinc/54/07/63/358540763.db2.gz VJNYYHRHTFHQKY-SNVBAGLBSA-N 1 2 212.362 2.506 10 30 BFEELO CC[C@H](C#N)[N@H+]1CCSC(C)(C)CC1 ZINC000231046368 358540768 /nfs/dbraw/zinc/54/07/68/358540768.db2.gz VJNYYHRHTFHQKY-SNVBAGLBSA-N 1 2 212.362 2.506 10 30 BFEELO CCC[NH2+][C@@H](C#N)CCN(C)c1ccc(F)cc1 ZINC000062438156 169273417 /nfs/dbraw/zinc/27/34/17/169273417.db2.gz OVPMQFABQMGMMI-CYBMUJFWSA-N 1 2 249.333 2.544 10 30 BFEELO CCN(C)/C=[NH+]/c1nc2ccccc2s1 ZINC000196484158 385509461 /nfs/dbraw/zinc/50/94/61/385509461.db2.gz BNMVZWKLQLVDPQ-XYOKQWHBSA-N 1 2 219.313 2.908 10 30 BFEELO N#CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000309519950 385656453 /nfs/dbraw/zinc/65/64/53/385656453.db2.gz BCUMVZVYKDRFFX-STQMWFEESA-N 1 2 218.275 2.575 10 30 BFEELO Cc1cc(NC[C@H]2CCCS2)c(C#N)c(C)[nH+]1 ZINC000157463420 388835985 /nfs/dbraw/zinc/83/59/85/388835985.db2.gz ULIUYPZBKYMGPI-LLVKDONJSA-N 1 2 247.367 2.878 10 30 BFEELO CO[C@H]1CC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000231682110 134543198 /nfs/dbraw/zinc/54/31/98/134543198.db2.gz BKADPPVLXZFVNJ-RYUDHWBXSA-N 1 2 245.326 2.550 10 30 BFEELO C[C@H](C#N)[NH+]1CCC2(CCCCC2)CC1 ZINC000061819910 134802933 /nfs/dbraw/zinc/80/29/33/134802933.db2.gz KSDUBXFUEUNFSS-GFCCVEGCSA-N 1 2 206.333 2.945 10 30 BFEELO CSCC[C@@H](C#N)[NH2+]C1CCCCC1 ZINC000037969570 175501538 /nfs/dbraw/zinc/50/15/38/175501538.db2.gz DXCXJIDUUHEPEG-NSHDSACASA-N 1 2 212.362 2.554 10 30 BFEELO C=CC[NH2+]C1(C(=O)OC)CCC(C(C)C)CC1 ZINC000054557475 166397662 /nfs/dbraw/zinc/39/76/62/166397662.db2.gz LJFCPNGZLAPMNA-UHFFFAOYSA-N 1 2 239.359 2.520 10 30 BFEELO CC(C)[NH2+][C@@H](C#N)[C@@H](C)c1ccccc1 ZINC000041046392 167129454 /nfs/dbraw/zinc/12/94/54/167129454.db2.gz DQEXAQMMBONNEU-AAEUAGOBSA-N 1 2 202.301 2.680 10 30 BFEELO CC[C@H](C)[NH2+][C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000038064665 171347436 /nfs/dbraw/zinc/34/74/36/171347436.db2.gz MQGZVFXRGQUDOJ-SWLSCSKDSA-N 1 2 246.354 2.995 10 30 BFEELO CCc1[nH+]c2ccccc2n1CCCC#N ZINC000057406708 172013541 /nfs/dbraw/zinc/01/35/41/172013541.db2.gz RQWBHQPMCABOAW-UHFFFAOYSA-N 1 2 213.284 2.902 10 30 BFEELO COc1ccc([NH2+][C@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000054823120 175155706 /nfs/dbraw/zinc/15/57/06/175155706.db2.gz MGCOKYBPQBMBSX-PWSUYJOCSA-N 1 2 246.310 2.808 10 30 BFEELO COc1ccc([NH2+][C@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000054823122 175155788 /nfs/dbraw/zinc/15/57/88/175155788.db2.gz MGCOKYBPQBMBSX-JQWIXIFHSA-N 1 2 246.310 2.808 10 30 BFEELO COc1ccccc1C[C@@](C)(C#N)[NH2+]CC1CC1 ZINC000037947003 175332734 /nfs/dbraw/zinc/33/27/34/175332734.db2.gz PLGVBUASWXPFKA-HNNXBMFYSA-N 1 2 244.338 2.520 10 30 BFEELO Cn1cc[nH+]c1[C@@H](S)c1cccs1 ZINC000757160217 582543463 /nfs/dbraw/zinc/54/34/63/582543463.db2.gz MICYEKQZMFUFTJ-QMMMGPOBSA-N 1 2 210.327 2.501 10 30 BFEELO Cc1cc(N)ccc1[N@@H+](CCC#N)C(C)C ZINC000042528820 178106050 /nfs/dbraw/zinc/10/60/50/178106050.db2.gz FCXXFARHACMHKB-UHFFFAOYSA-N 1 2 217.316 2.706 10 30 BFEELO Cc1cc(N)ccc1[N@H+](CCC#N)C(C)C ZINC000042528820 178106051 /nfs/dbraw/zinc/10/60/51/178106051.db2.gz FCXXFARHACMHKB-UHFFFAOYSA-N 1 2 217.316 2.706 10 30 BFEELO Cc1cc([NH3+])ccc1N(CCC#N)C(C)C ZINC000042528820 178106053 /nfs/dbraw/zinc/10/60/53/178106053.db2.gz FCXXFARHACMHKB-UHFFFAOYSA-N 1 2 217.316 2.706 10 30 BFEELO Cc1cc(NCCOCC(C)C)c(C#N)c(C)[nH+]1 ZINC000123694026 178161432 /nfs/dbraw/zinc/16/14/32/178161432.db2.gz VGOKWFPAYSYUAZ-UHFFFAOYSA-N 1 2 247.342 2.655 10 30 BFEELO Fc1cc(NC2=[NH+]CCS2)ccc1Cl ZINC000042581525 362011047 /nfs/dbraw/zinc/01/10/47/362011047.db2.gz HELXPRJWODYTLA-UHFFFAOYSA-N 1 2 230.695 2.803 10 30 BFEELO C[C@@H](C#N)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000042461062 343439621 /nfs/dbraw/zinc/43/96/21/343439621.db2.gz UOYFPFBWAHYNFX-LBPRGKRZSA-N 1 2 239.322 2.826 10 30 BFEELO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000042461062 343439624 /nfs/dbraw/zinc/43/96/24/343439624.db2.gz UOYFPFBWAHYNFX-LBPRGKRZSA-N 1 2 239.322 2.826 10 30 BFEELO C#Cc1cc[nH+]c(NCc2ccccc2)c1 ZINC000222923079 344281141 /nfs/dbraw/zinc/28/11/41/344281141.db2.gz KODFTFATMSBSDL-UHFFFAOYSA-N 1 2 208.264 2.675 10 30 BFEELO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000309453628 347065392 /nfs/dbraw/zinc/06/53/92/347065392.db2.gz PAVZGSZZOWLOTF-VXGBXAGGSA-N 1 2 218.300 2.760 10 30 BFEELO Cc1ccc2c(c1)CCC(C[C@H]([NH3+])C#N)=C2 ZINC000034452326 345834004 /nfs/dbraw/zinc/83/40/04/345834004.db2.gz SGIFNQSVXBYNJY-AWEZNQCLSA-N 1 2 212.296 2.566 10 30 BFEELO Cc1cccc(CC(Nc2ccccc2)=[NH+]N)c1 ZINC000060393393 179051005 /nfs/dbraw/zinc/05/10/05/179051005.db2.gz KJLCSXHLQBGSPZ-UHFFFAOYSA-N 1 2 239.322 2.922 10 30 BFEELO Cc1cccc(OCCCC/C(N)=[NH+]/O)c1C ZINC000049580427 179164307 /nfs/dbraw/zinc/16/43/07/179164307.db2.gz PSSRHXVXKCIQGW-UHFFFAOYSA-N 1 2 236.315 2.599 10 30 BFEELO CCc1nc(C[NH2+][C@H]2CCCC[C@H]2C#N)cs1 ZINC000328158099 350376492 /nfs/dbraw/zinc/37/64/92/350376492.db2.gz UQMITVPHAQQASE-JQWIXIFHSA-N 1 2 249.383 2.877 10 30 BFEELO CCC[N@H+](CC#N)C[C@@H]1CCOc2ccccc21 ZINC000162838454 350442543 /nfs/dbraw/zinc/44/25/43/350442543.db2.gz OTTJCBSGMOASFS-ZDUSSCGKSA-N 1 2 244.338 2.788 10 30 BFEELO CCC[N@@H+](CC#N)C[C@@H]1CCOc2ccccc21 ZINC000162838454 350442546 /nfs/dbraw/zinc/44/25/46/350442546.db2.gz OTTJCBSGMOASFS-ZDUSSCGKSA-N 1 2 244.338 2.788 10 30 BFEELO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(F)c1 ZINC000405028376 351468906 /nfs/dbraw/zinc/46/89/06/351468906.db2.gz OILSLVUTEHZPIN-IINYFYTJSA-N 1 2 248.301 2.616 10 30 BFEELO N#C[C@@]1([NH+]2CCCCCC2)CCCSC1 ZINC000061590829 188184166 /nfs/dbraw/zinc/18/41/66/188184166.db2.gz VDWCUKXRVCHWMI-LBPRGKRZSA-N 1 2 224.373 2.652 10 30 BFEELO N#Cc1c(Cl)cccc1NCc1[nH]cc[nH+]1 ZINC000070819944 181074095 /nfs/dbraw/zinc/07/40/95/181074095.db2.gz WOPIKRQXNCZWDB-UHFFFAOYSA-N 1 2 232.674 2.547 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000104241318 181069263 /nfs/dbraw/zinc/06/92/63/181069263.db2.gz AJPBSGACZZJXAL-SKDRFNHKSA-N 1 2 236.265 2.747 10 30 BFEELO N#Cc1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000020051379 181148889 /nfs/dbraw/zinc/14/88/89/181148889.db2.gz TXOKHZZRFXQALR-UHFFFAOYSA-N 1 2 248.289 2.818 10 30 BFEELO N/C(CCCOc1ccc2ccccc2c1)=[NH+]\O ZINC000019429525 181182287 /nfs/dbraw/zinc/18/22/87/181182287.db2.gz CFQXGDKFYOOZPY-UHFFFAOYSA-N 1 2 244.294 2.745 10 30 BFEELO CC(O)=C([N+]#N)C(=O)O[C@H]1C=C(C)CCC1 ZINC000584610505 358273909 /nfs/dbraw/zinc/27/39/09/358273909.db2.gz AEVZAPLXCJSCSX-SECBINFHSA-O 1 2 223.252 2.671 10 30 BFEELO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1F ZINC000335626552 365294730 /nfs/dbraw/zinc/29/47/30/365294730.db2.gz SQFDNDVBMCHESQ-YPMHNXCESA-N 1 2 232.302 2.916 10 30 BFEELO N#Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000142689342 373832699 /nfs/dbraw/zinc/83/26/99/373832699.db2.gz CHIKGZXBSHFSDU-UHFFFAOYSA-N 1 2 248.083 2.506 10 30 BFEELO CCC[NH2+][C@](C)(C#N)CCc1ccc(O)cc1 ZINC000020379986 169292605 /nfs/dbraw/zinc/29/26/05/169292605.db2.gz FROHLBBOQXDDAQ-AWEZNQCLSA-N 1 2 232.327 2.607 10 30 BFEELO Cc1nc(C[NH2+][C@H]2CCC[C@H]2C#N)sc1C ZINC000336145077 384925105 /nfs/dbraw/zinc/92/51/05/384925105.db2.gz PLWQBODVJPVNJW-QWRGUYRKSA-N 1 2 235.356 2.542 10 30 BFEELO C=CCCCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000158082352 385334690 /nfs/dbraw/zinc/33/46/90/385334690.db2.gz BVOFKXFPNBEXID-UHFFFAOYSA-N 1 2 229.327 2.973 10 30 BFEELO C/C=C/CCNc1cc(C)[nH+]c(C)c1C#N ZINC000135511168 386519162 /nfs/dbraw/zinc/51/91/62/386519162.db2.gz BEIDHWPDGSNQOQ-SNAWJCMRSA-N 1 2 215.300 2.948 10 30 BFEELO CO[C@@H]1CC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000231682107 388387459 /nfs/dbraw/zinc/38/74/59/388387459.db2.gz BKADPPVLXZFVNJ-NWDGAFQWSA-N 1 2 245.326 2.550 10 30 BFEELO N#CCCCC[N@H+]1CCCc2c(N)cccc21 ZINC000037906186 132345639 /nfs/dbraw/zinc/34/56/39/132345639.db2.gz JHDXCSRVXDRDHQ-UHFFFAOYSA-N 1 2 229.327 2.715 10 30 BFEELO N#CCCCC[N@@H+]1CCCc2c(N)cccc21 ZINC000037906186 132345641 /nfs/dbraw/zinc/34/56/41/132345641.db2.gz JHDXCSRVXDRDHQ-UHFFFAOYSA-N 1 2 229.327 2.715 10 30 BFEELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000220909176 134314905 /nfs/dbraw/zinc/31/49/05/134314905.db2.gz CCEOCBWCXBYOOT-LLVKDONJSA-N 1 2 241.294 2.706 10 30 BFEELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000227556022 134383561 /nfs/dbraw/zinc/38/35/61/134383561.db2.gz GCJIDNCPCSBRHV-VIFPVBQESA-N 1 2 247.323 2.767 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000342785753 135318621 /nfs/dbraw/zinc/31/86/21/135318621.db2.gz SLCFTQYGPDWZRB-PWSUYJOCSA-N 1 2 247.367 2.802 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000061891083 398107588 /nfs/dbraw/zinc/10/75/88/398107588.db2.gz STDOXWUPIPTMGJ-NOZJJQNGSA-N 1 2 236.265 2.747 10 30 BFEELO CC(C)[NH2+][C@@H](C#N)CCOCC1CCCCC1 ZINC000062450894 167130448 /nfs/dbraw/zinc/13/04/48/167130448.db2.gz YZZRMVSTYCKXDG-CQSZACIVSA-N 1 2 238.375 2.864 10 30 BFEELO CO[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000231682101 411185436 /nfs/dbraw/zinc/18/54/36/411185436.db2.gz BKADPPVLXZFVNJ-VXGBXAGGSA-N 1 2 245.326 2.550 10 30 BFEELO CCNc1ccc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000050817285 170173302 /nfs/dbraw/zinc/17/33/02/170173302.db2.gz PYTLJUNVJKYZCH-UHFFFAOYSA-N 1 2 246.358 2.637 10 30 BFEELO CCNc1ccc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000050817285 170173304 /nfs/dbraw/zinc/17/33/04/170173304.db2.gz PYTLJUNVJKYZCH-UHFFFAOYSA-N 1 2 246.358 2.637 10 30 BFEELO CC[C@H](C)[NH2+][C@]1(C#N)CCc2ccccc2C1 ZINC000038064517 171348965 /nfs/dbraw/zinc/34/89/65/171348965.db2.gz QYMYHUJFHJTBFP-SWLSCSKDSA-N 1 2 228.339 2.826 10 30 BFEELO CC[C@H]1C[C@H]1Nc1cc(C)[nH+]c(C)c1C#N ZINC000227593782 171679737 /nfs/dbraw/zinc/67/97/37/171679737.db2.gz NCANUCULUISVTF-CMPLNLGQSA-N 1 2 215.300 2.781 10 30 BFEELO C[NH+](C)/C=C\c1nc(C(F)(F)F)c(C#N)s1 ZINC000033337137 172352053 /nfs/dbraw/zinc/35/20/53/172352053.db2.gz BHDFFHFUQCAESY-ARJAWSKDSA-N 1 2 247.245 2.566 10 30 BFEELO COc1ccc(C[N@H+](CCC#N)C2CC2)cc1F ZINC000042549140 175097874 /nfs/dbraw/zinc/09/78/74/175097874.db2.gz JWLPSHHLNIJHQC-UHFFFAOYSA-N 1 2 248.301 2.712 10 30 BFEELO COc1ccc(C[N@@H+](CCC#N)C2CC2)cc1F ZINC000042549140 175097876 /nfs/dbraw/zinc/09/78/76/175097876.db2.gz JWLPSHHLNIJHQC-UHFFFAOYSA-N 1 2 248.301 2.712 10 30 BFEELO COc1ccc([C@@H](C)[NH2+]C[C@H](C)C#N)c(OC)c1 ZINC000054179362 175177428 /nfs/dbraw/zinc/17/74/28/175177428.db2.gz UQMQBVURFNZAJO-GHMZBOCLSA-N 1 2 248.326 2.514 10 30 BFEELO C[C@H]1CCCC[C@@]1(C#N)[NH2+]C1CCCC1 ZINC000037968396 177084467 /nfs/dbraw/zinc/08/44/67/177084467.db2.gz MKTCLQGECGJOKX-AAEUAGOBSA-N 1 2 206.333 2.991 10 30 BFEELO C[C@H]1CCC[C@@](C#N)([NH2+]C2CCCC2)C1 ZINC000037968408 177128013 /nfs/dbraw/zinc/12/80/13/177128013.db2.gz MTCYMHPRRPTCIL-WCQYABFASA-N 1 2 206.333 2.991 10 30 BFEELO C[C@]([NH3+])(C#N)CCc1cccc(Cl)c1 ZINC000041218196 177443016 /nfs/dbraw/zinc/44/30/16/177443016.db2.gz BZVAIELAMACZEY-LLVKDONJSA-N 1 2 208.692 2.514 10 30 BFEELO C[C@H](S)c1ccc(-n2cc[nH+]c2)cc1 ZINC000757158800 582541009 /nfs/dbraw/zinc/54/10/09/582541009.db2.gz APVLSXSYODFBAN-VIFPVBQESA-N 1 2 204.298 2.863 10 30 BFEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000309476550 632101552 /nfs/dbraw/zinc/10/15/52/632101552.db2.gz CBWCGSGQZCMHHE-KOLCDFICSA-N 1 2 235.718 2.517 10 30 BFEELO Cc1cc(N2CCC(C)(C)C2)c(C#N)c(C)[nH+]1 ZINC000157461824 178112865 /nfs/dbraw/zinc/11/28/65/178112865.db2.gz WQCQSTQUSLCAJS-UHFFFAOYSA-N 1 2 229.327 2.806 10 30 BFEELO Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)c(C#N)c(C)[nH+]1 ZINC000125087355 178122530 /nfs/dbraw/zinc/12/25/30/178122530.db2.gz QWANWOKTJOQMLB-BETUJISGSA-N 1 2 241.338 2.806 10 30 BFEELO Cc1cc(OCC#N)c2cccc(C)c2[nH+]1 ZINC000045928515 178208679 /nfs/dbraw/zinc/20/86/79/178208679.db2.gz KSZUVHUKQZOBKG-UHFFFAOYSA-N 1 2 212.252 2.754 10 30 BFEELO C#CCCNc1[nH+]ccc2ccsc21 ZINC000306653255 361860446 /nfs/dbraw/zinc/86/04/46/361860446.db2.gz UVQBNSLPRQISFC-UHFFFAOYSA-N 1 2 202.282 2.732 10 30 BFEELO O=C1C(=Cc2c[nH]c[nH+]2)CCc2ccccc21 ZINC000013746655 343102825 /nfs/dbraw/zinc/10/28/25/343102825.db2.gz SEHNFQNDEFTGRO-YRNVUSSQSA-N 1 2 224.263 2.622 10 30 BFEELO CC(C)CCC#C[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000013795259 343104449 /nfs/dbraw/zinc/10/44/49/343104449.db2.gz OWZPODIBWTYIFN-VXGBXAGGSA-N 1 2 202.301 2.953 10 30 BFEELO CC(C)CCC#C[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000013795259 343104450 /nfs/dbraw/zinc/10/44/50/343104450.db2.gz OWZPODIBWTYIFN-VXGBXAGGSA-N 1 2 202.301 2.953 10 30 BFEELO C[C@]1(C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000208093264 343889431 /nfs/dbraw/zinc/88/94/31/343889431.db2.gz KSDNXKKNELKONC-CYBMUJFWSA-N 1 2 200.285 2.565 10 30 BFEELO C[C@]1(C#N)CCC[N@H+]1Cc1ccccc1 ZINC000208093264 343889433 /nfs/dbraw/zinc/88/94/33/343889433.db2.gz KSDNXKKNELKONC-CYBMUJFWSA-N 1 2 200.285 2.565 10 30 BFEELO C=CCNc1[nH+]ccc(C)c1Br ZINC000235788704 345869842 /nfs/dbraw/zinc/86/98/42/345869842.db2.gz FDMJFAAECGDOGM-UHFFFAOYSA-N 1 2 227.105 2.750 10 30 BFEELO Cc1ccccc1[C@@H](C#N)[NH+]1CCCC1 ZINC000019934091 179315861 /nfs/dbraw/zinc/31/58/61/179315861.db2.gz ZCLUWJIRXJJWLR-CYBMUJFWSA-N 1 2 200.285 2.656 10 30 BFEELO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2C#N)sc1C ZINC000595688981 348314894 /nfs/dbraw/zinc/31/48/94/348314894.db2.gz JQUWLSDSZWPDDI-NWDGAFQWSA-N 1 2 249.383 2.932 10 30 BFEELO Cc1[nH+]c[nH]c1CNc1cc(Cl)ccc1C#N ZINC000054794907 180122153 /nfs/dbraw/zinc/12/21/53/180122153.db2.gz CDXYXNQKQHYWJT-UHFFFAOYSA-N 1 2 246.701 2.855 10 30 BFEELO N#C[C@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000307288516 351855185 /nfs/dbraw/zinc/85/51/85/351855185.db2.gz CDPKERAXTHINCO-SNVBAGLBSA-N 1 2 226.732 2.590 10 30 BFEELO N#C[C@H]([NH3+])CSc1ccc2ccccc2c1 ZINC000045365772 181064833 /nfs/dbraw/zinc/06/48/33/181064833.db2.gz NTVRKUZNAJGRDW-LBPRGKRZSA-N 1 2 228.320 2.783 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000104241326 181060125 /nfs/dbraw/zinc/06/01/25/181060125.db2.gz AJPBSGACZZJXAL-CABZTGNLSA-N 1 2 236.265 2.747 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000104241315 181070299 /nfs/dbraw/zinc/07/02/99/181070299.db2.gz AJPBSGACZZJXAL-BXKDBHETSA-N 1 2 236.265 2.747 10 30 BFEELO N#Cc1ccc(-c2c[nH+]c3ccccn32)cc1 ZINC000091691893 181095989 /nfs/dbraw/zinc/09/59/89/181095989.db2.gz KMLHPZYUFMGBJR-UHFFFAOYSA-N 1 2 219.247 2.873 10 30 BFEELO Cc1cc(NCC2CCC2)c(C#N)c(C)[nH+]1 ZINC000087969412 356384799 /nfs/dbraw/zinc/38/47/99/356384799.db2.gz UCZAGXXOQIGGLZ-UHFFFAOYSA-N 1 2 215.300 2.782 10 30 BFEELO C[C@]1(F)CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000336267484 134141324 /nfs/dbraw/zinc/14/13/24/134141324.db2.gz RZCSYSMOKBILNO-NSHDSACASA-N 1 2 210.296 2.504 10 30 BFEELO C[C@]1(F)CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000336267484 134141325 /nfs/dbraw/zinc/14/13/25/134141325.db2.gz RZCSYSMOKBILNO-NSHDSACASA-N 1 2 210.296 2.504 10 30 BFEELO CC[C@@H](C#N)[N@@H+]1CCSC(C)(C)CC1 ZINC000231046366 358541197 /nfs/dbraw/zinc/54/11/97/358541197.db2.gz VJNYYHRHTFHQKY-JTQLQIEISA-N 1 2 212.362 2.506 10 30 BFEELO CC[C@@H](C#N)[N@H+]1CCSC(C)(C)CC1 ZINC000231046366 358541199 /nfs/dbraw/zinc/54/11/99/358541199.db2.gz VJNYYHRHTFHQKY-JTQLQIEISA-N 1 2 212.362 2.506 10 30 BFEELO CCc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2C#N)o1 ZINC000385550183 359288541 /nfs/dbraw/zinc/28/85/41/359288541.db2.gz WVVOXJNYKHHROJ-RYUDHWBXSA-N 1 2 247.342 2.717 10 30 BFEELO CCC[NH2+][C@@H](C#N)CCN(CC)c1ccccc1 ZINC000062369388 169273881 /nfs/dbraw/zinc/27/38/81/169273881.db2.gz NFWYYKOKYHZCSZ-CQSZACIVSA-N 1 2 245.370 2.795 10 30 BFEELO CCC[NH2+][C@H](C#N)CCOc1cc(C)ccc1C ZINC000062446273 169283731 /nfs/dbraw/zinc/28/37/31/169283731.db2.gz VCWRLPOEJDDTNR-AWEZNQCLSA-N 1 2 246.354 2.964 10 30 BFEELO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C#N)cs1 ZINC000054826256 384896776 /nfs/dbraw/zinc/89/67/76/384896776.db2.gz ODLVLZSJQGFGPL-JQWIXIFHSA-N 1 2 235.356 2.624 10 30 BFEELO Cc1nc(C[NH2+][C@H]2CCC[C@@H]2C#N)sc1C ZINC000336145076 384922513 /nfs/dbraw/zinc/92/25/13/384922513.db2.gz PLWQBODVJPVNJW-MNOVXSKESA-N 1 2 235.356 2.542 10 30 BFEELO C=C(C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000122758049 385767733 /nfs/dbraw/zinc/76/77/33/385767733.db2.gz BVBMVKTWIDBXIJ-UHFFFAOYSA-N 1 2 201.273 2.558 10 30 BFEELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000220906778 134315214 /nfs/dbraw/zinc/31/52/14/134315214.db2.gz YMAALSQYTVQQAH-LLVKDONJSA-N 1 2 241.294 2.706 10 30 BFEELO C[C@H](C#N)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248447872 135010562 /nfs/dbraw/zinc/01/05/62/135010562.db2.gz HOOKUPLTYMQLSM-CHWSQXEVSA-N 1 2 204.317 2.721 10 30 BFEELO C[C@H](C#N)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248447872 135010565 /nfs/dbraw/zinc/01/05/65/135010565.db2.gz HOOKUPLTYMQLSM-CHWSQXEVSA-N 1 2 204.317 2.721 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335285256 136002294 /nfs/dbraw/zinc/00/22/94/136002294.db2.gz SISSDTPUDMQIHB-JOYOIKCWSA-N 1 2 235.718 2.517 10 30 BFEELO CC(O)=C([N+]#N)C(=O)Oc1ccc(C)cc1 ZINC000584645927 398085734 /nfs/dbraw/zinc/08/57/34/398085734.db2.gz GTZYPMZXJWJYOD-UHFFFAOYSA-O 1 2 219.220 2.543 10 30 BFEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000061891086 398107575 /nfs/dbraw/zinc/10/75/75/398107575.db2.gz STDOXWUPIPTMGJ-ZANVPECISA-N 1 2 236.265 2.747 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000061891085 398108250 /nfs/dbraw/zinc/10/82/50/398108250.db2.gz STDOXWUPIPTMGJ-TVQRCGJNSA-N 1 2 236.265 2.747 10 30 BFEELO C#CC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019875625 166192596 /nfs/dbraw/zinc/19/25/96/166192596.db2.gz LNISDKYQXJOICD-CQSZACIVSA-N 1 2 211.264 2.592 10 30 BFEELO CC(C)C[NH2+][C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000037939204 167012208 /nfs/dbraw/zinc/01/22/08/167012208.db2.gz DRDCWDMPNRHQGZ-OAHLLOKOSA-N 1 2 246.354 2.853 10 30 BFEELO CC[C@H](C)[NH2+][C@](C)(C#N)Cc1ccccc1OC ZINC000038064539 171349041 /nfs/dbraw/zinc/34/90/41/171349041.db2.gz YNFDUWPEAXRRDD-WFASDCNBSA-N 1 2 246.354 2.908 10 30 BFEELO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)C#N ZINC000048580676 175081317 /nfs/dbraw/zinc/08/13/17/175081317.db2.gz CAUAWMORXZZLHR-NEPJUHHUSA-N 1 2 232.327 2.814 10 30 BFEELO C[C@@]([NH3+])(C#N)CSc1cccc(Cl)c1 ZINC000054186279 176509860 /nfs/dbraw/zinc/50/98/60/176509860.db2.gz NMXSSVVBJVNDQO-SNVBAGLBSA-N 1 2 226.732 2.673 10 30 BFEELO Cc1cccc2c1C=C(C[C@H]([NH3+])C#N)CC2 ZINC000238550398 487667396 /nfs/dbraw/zinc/66/73/96/487667396.db2.gz SFCGLPLMIAQLNC-ZDUSSCGKSA-N 1 2 212.296 2.566 10 30 BFEELO CN(C)C=[NH+]c1nc2ccc(F)cc2s1 ZINC000254405765 524041691 /nfs/dbraw/zinc/04/16/91/524041691.db2.gz ITZRNAFQNFQYPY-UHFFFAOYSA-N 1 2 223.276 2.657 10 30 BFEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000309476549 632101601 /nfs/dbraw/zinc/10/16/01/632101601.db2.gz CBWCGSGQZCMHHE-GXSJLCMTSA-N 1 2 235.718 2.517 10 30 BFEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000309476551 633925532 /nfs/dbraw/zinc/92/55/32/633925532.db2.gz CBWCGSGQZCMHHE-MWLCHTKSSA-N 1 2 235.718 2.517 10 30 BFEELO