smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000287863311 131303409 /nfs/dbraw/zinc/30/34/09/131303409.db2.gz XMZZPNAUVOYACU-SJKOYZFVSA-N 1 2 314.816 4.719 20 30 DJEDLO CC(C)(CCC#N)CNc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000122078817 332403163 /nfs/dbraw/zinc/40/31/63/332403163.db2.gz AFSBMPLGZGHVHV-UHFFFAOYSA-N 1 2 322.456 4.628 20 30 DJEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1Cl ZINC000428369131 332549490 /nfs/dbraw/zinc/54/94/90/332549490.db2.gz IUBHYBGQLOBMBB-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO CC(C)(CCC#N)CNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178193925 333136091 /nfs/dbraw/zinc/13/60/91/333136091.db2.gz YLPWJGPRGRFVBT-UHFFFAOYSA-N 1 2 322.456 4.628 20 30 DJEDLO CC(C)(C)c1cnc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000279211402 334106470 /nfs/dbraw/zinc/10/64/70/334106470.db2.gz WDPSDQNWILFIRP-OAHLLOKOSA-N 1 2 313.470 4.575 20 30 DJEDLO N#CCC[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccccc1 ZINC000290841989 334174916 /nfs/dbraw/zinc/17/49/16/334174916.db2.gz IVOWOFIYNFHVSW-AWEZNQCLSA-N 1 2 320.223 4.523 20 30 DJEDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc(C)c(F)c2)c(C)[nH+]1 ZINC000331339921 334854830 /nfs/dbraw/zinc/85/48/30/334854830.db2.gz SAGUBNCLKNZOPW-CYBMUJFWSA-N 1 2 315.392 4.541 20 30 DJEDLO CC(C)(C)C[N@H+](CCC#N)Cc1c(Cl)ccc2cccnc21 ZINC000346263199 335395917 /nfs/dbraw/zinc/39/59/17/335395917.db2.gz BVLARUCWSQFMIS-UHFFFAOYSA-N 1 2 315.848 4.650 20 30 DJEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1c(Cl)ccc2cccnc21 ZINC000346263199 335395919 /nfs/dbraw/zinc/39/59/19/335395919.db2.gz BVLARUCWSQFMIS-UHFFFAOYSA-N 1 2 315.848 4.650 20 30 DJEDLO CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1[nH]cc[nH+]1 ZINC000329335015 335965391 /nfs/dbraw/zinc/96/53/91/335965391.db2.gz LADNEQDISXDUMS-JJXSEGSLSA-N 1 2 303.450 4.670 20 30 DJEDLO C[C@H](SCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000359064945 336656019 /nfs/dbraw/zinc/65/60/19/336656019.db2.gz GOEIUCZJLQROBR-HNNXBMFYSA-N 1 2 319.433 4.738 20 30 DJEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc(Cl)ccc1Cl ZINC000426741487 338040093 /nfs/dbraw/zinc/04/00/93/338040093.db2.gz LIXTXAOVDGULMC-SNVBAGLBSA-N 1 2 323.198 4.855 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1oc(CCC)nc1C)c1ccc(F)c(F)c1 ZINC000428421432 338050709 /nfs/dbraw/zinc/05/07/09/338050709.db2.gz KEFJCQGPLJQXBU-GOSISDBHSA-N 1 2 320.383 4.621 20 30 DJEDLO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1cccc(Cl)c1F ZINC000428424951 338050837 /nfs/dbraw/zinc/05/08/37/338050837.db2.gz VBQVNDDASJZQFM-UHFFFAOYSA-N 1 2 320.770 4.515 20 30 DJEDLO C[N@H+](Cc1csc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000432749635 338166194 /nfs/dbraw/zinc/16/61/94/338166194.db2.gz VHQOICAMSZEIQM-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[N@@H+](Cc1csc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000432749635 338166195 /nfs/dbraw/zinc/16/61/95/338166195.db2.gz VHQOICAMSZEIQM-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C=CCC[C@@H](NC(=O)Nc1ccc(C)[nH+]c1C)c1ccccc1 ZINC000435588989 338242912 /nfs/dbraw/zinc/24/29/12/338242912.db2.gz NTXVKSLYFGSRED-GOSISDBHSA-N 1 2 309.413 4.527 20 30 DJEDLO N#Cc1csc(C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)n1 ZINC000459720303 339044210 /nfs/dbraw/zinc/04/42/10/339044210.db2.gz SNJMHDOIRORSQC-SFHVURJKSA-N 1 2 323.465 4.522 20 30 DJEDLO N#Cc1csc(C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)n1 ZINC000459720303 339044211 /nfs/dbraw/zinc/04/42/11/339044211.db2.gz SNJMHDOIRORSQC-SFHVURJKSA-N 1 2 323.465 4.522 20 30 DJEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1nc(C)c(C)s1 ZINC000470977863 339333672 /nfs/dbraw/zinc/33/36/72/339333672.db2.gz ZVWXJYKZNYZLKQ-UHFFFAOYSA-N 1 2 312.891 4.663 20 30 DJEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc(C)c(C)s1 ZINC000470977863 339333673 /nfs/dbraw/zinc/33/36/73/339333673.db2.gz ZVWXJYKZNYZLKQ-UHFFFAOYSA-N 1 2 312.891 4.663 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000479422890 339534335 /nfs/dbraw/zinc/53/43/35/339534335.db2.gz PGASOXIXQXMVFQ-KRWDZBQOSA-N 1 2 309.306 4.650 20 30 DJEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)Cc1ccccc1 ZINC000502322810 340099836 /nfs/dbraw/zinc/09/98/36/340099836.db2.gz AGNUEDICVWTDCM-UHFFFAOYSA-N 1 2 318.420 4.838 20 30 DJEDLO C=CC[N@H+](Cc1nc(-c2ccccc2)oc1C)Cc1ccccc1 ZINC000502322810 340099837 /nfs/dbraw/zinc/09/98/37/340099837.db2.gz AGNUEDICVWTDCM-UHFFFAOYSA-N 1 2 318.420 4.838 20 30 DJEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(C(C)(C)C)s1 ZINC000506004821 340183036 /nfs/dbraw/zinc/18/30/36/340183036.db2.gz ISZRDHFUOCVUNB-UHFFFAOYSA-N 1 2 306.500 4.690 20 30 DJEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(C(C)(C)C)s1 ZINC000506004821 340183037 /nfs/dbraw/zinc/18/30/37/340183037.db2.gz ISZRDHFUOCVUNB-UHFFFAOYSA-N 1 2 306.500 4.690 20 30 DJEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)s1 ZINC000506085099 340185187 /nfs/dbraw/zinc/18/51/87/340185187.db2.gz IOMRZCXEHSKMRH-UHFFFAOYSA-N 1 2 308.859 4.523 20 30 DJEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)s1 ZINC000506085099 340185188 /nfs/dbraw/zinc/18/51/88/340185188.db2.gz IOMRZCXEHSKMRH-UHFFFAOYSA-N 1 2 308.859 4.523 20 30 DJEDLO C=CCOc1ccccc1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000506085749 340185226 /nfs/dbraw/zinc/18/52/26/340185226.db2.gz JXKKPXZSHAVSJU-UHFFFAOYSA-N 1 2 323.392 4.640 20 30 DJEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(CC)s1 ZINC000506101124 340185827 /nfs/dbraw/zinc/18/58/27/340185827.db2.gz MVHLFYUBAVSMEA-UHFFFAOYSA-N 1 2 312.891 4.609 20 30 DJEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(CC)s1 ZINC000506101124 340185828 /nfs/dbraw/zinc/18/58/28/340185828.db2.gz MVHLFYUBAVSMEA-UHFFFAOYSA-N 1 2 312.891 4.609 20 30 DJEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1F ZINC000506123780 340186217 /nfs/dbraw/zinc/18/62/17/340186217.db2.gz CRVZVMZMSBFNEJ-UHFFFAOYSA-N 1 2 320.820 4.600 20 30 DJEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1F ZINC000506123780 340186218 /nfs/dbraw/zinc/18/62/18/340186218.db2.gz CRVZVMZMSBFNEJ-UHFFFAOYSA-N 1 2 320.820 4.600 20 30 DJEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000507133267 340209047 /nfs/dbraw/zinc/20/90/47/340209047.db2.gz VAHKOGFSAVZJKA-MRXNPFEDSA-N 1 2 321.207 4.795 20 30 DJEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000507133267 340209048 /nfs/dbraw/zinc/20/90/48/340209048.db2.gz VAHKOGFSAVZJKA-MRXNPFEDSA-N 1 2 321.207 4.795 20 30 DJEDLO CC[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)C[C@@H](C)C#N ZINC000509796871 340279411 /nfs/dbraw/zinc/27/94/11/340279411.db2.gz DOUNGCZEKLSRCF-ZDUSSCGKSA-N 1 2 302.805 4.582 20 30 DJEDLO CC[N@H+](Cc1ccc(-c2ccccc2Cl)o1)C[C@@H](C)C#N ZINC000509796871 340279412 /nfs/dbraw/zinc/27/94/12/340279412.db2.gz DOUNGCZEKLSRCF-ZDUSSCGKSA-N 1 2 302.805 4.582 20 30 DJEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2Cl)s1 ZINC000509810204 340279740 /nfs/dbraw/zinc/27/97/40/340279740.db2.gz GCGVSJNSPVNSOS-LBPRGKRZSA-N 1 2 304.846 4.660 20 30 DJEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2Cl)s1 ZINC000509810204 340279741 /nfs/dbraw/zinc/27/97/41/340279741.db2.gz GCGVSJNSPVNSOS-LBPRGKRZSA-N 1 2 304.846 4.660 20 30 DJEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000509815146 340279937 /nfs/dbraw/zinc/27/99/37/340279937.db2.gz PZDNLXKCQIDKMQ-GFCCVEGCSA-N 1 2 322.330 4.557 20 30 DJEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000509815146 340279938 /nfs/dbraw/zinc/27/99/38/340279938.db2.gz PZDNLXKCQIDKMQ-GFCCVEGCSA-N 1 2 322.330 4.557 20 30 DJEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234421 340314582 /nfs/dbraw/zinc/31/45/82/340314582.db2.gz ZRJMLRCYDQMJQD-BFUOFWGJSA-N 1 2 324.399 4.578 20 30 DJEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234421 340314583 /nfs/dbraw/zinc/31/45/83/340314583.db2.gz ZRJMLRCYDQMJQD-BFUOFWGJSA-N 1 2 324.399 4.578 20 30 DJEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234422 340314719 /nfs/dbraw/zinc/31/47/19/340314719.db2.gz ZRJMLRCYDQMJQD-DJJJIMSYSA-N 1 2 324.399 4.578 20 30 DJEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234422 340314720 /nfs/dbraw/zinc/31/47/20/340314720.db2.gz ZRJMLRCYDQMJQD-DJJJIMSYSA-N 1 2 324.399 4.578 20 30 DJEDLO N#Cc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC000041055282 183160137 /nfs/dbraw/zinc/16/01/37/183160137.db2.gz PHJJEWUNHBIXRV-UHFFFAOYSA-N 1 2 324.181 4.613 20 30 DJEDLO C[C@H](c1ccccc1Cl)[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000059333935 184137073 /nfs/dbraw/zinc/13/70/73/184137073.db2.gz MBSYEUZSULNIAR-CQSZACIVSA-N 1 2 310.828 4.937 20 30 DJEDLO C[C@H](c1ccccc1Cl)[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000059333935 184137075 /nfs/dbraw/zinc/13/70/75/184137075.db2.gz MBSYEUZSULNIAR-CQSZACIVSA-N 1 2 310.828 4.937 20 30 DJEDLO C=CC[N@@H+](CCC#N)C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000430103235 338096777 /nfs/dbraw/zinc/09/67/77/338096777.db2.gz GZDBHDMHEDUJDG-KAMYIIQDSA-N 1 2 308.347 4.510 20 30 DJEDLO C=CC[N@H+](CCC#N)C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000430103235 338096778 /nfs/dbraw/zinc/09/67/78/338096778.db2.gz GZDBHDMHEDUJDG-KAMYIIQDSA-N 1 2 308.347 4.510 20 30 DJEDLO C[N@H+](Cc1csc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000432751685 338166341 /nfs/dbraw/zinc/16/63/41/338166341.db2.gz ZPPHRFCHGOVGJH-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[N@@H+](Cc1csc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000432751685 338166342 /nfs/dbraw/zinc/16/63/42/338166342.db2.gz ZPPHRFCHGOVGJH-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841844 339157067 /nfs/dbraw/zinc/15/70/67/339157067.db2.gz YNSNASQVTYOVMQ-UGSOOPFHSA-N 1 2 312.388 4.572 20 30 DJEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841844 339157068 /nfs/dbraw/zinc/15/70/68/339157068.db2.gz YNSNASQVTYOVMQ-UGSOOPFHSA-N 1 2 312.388 4.572 20 30 DJEDLO Cc1ccc(C)c([N@@H+](CCCC2(C#N)CCOCC2)C(C)C)c1 ZINC000499521926 340038583 /nfs/dbraw/zinc/03/85/83/340038583.db2.gz ITLCPOKUBFOXTB-UHFFFAOYSA-N 1 2 314.473 4.619 20 30 DJEDLO Cc1ccc(C)c([N@H+](CCCC2(C#N)CCOCC2)C(C)C)c1 ZINC000499521926 340038584 /nfs/dbraw/zinc/03/85/84/340038584.db2.gz ITLCPOKUBFOXTB-UHFFFAOYSA-N 1 2 314.473 4.619 20 30 DJEDLO CC(C)(C)C[N@H+](CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000499641680 340042077 /nfs/dbraw/zinc/04/20/77/340042077.db2.gz LLYLNJWARSVOHF-UHFFFAOYSA-N 1 2 314.473 4.640 20 30 DJEDLO CC(C)(C)C[N@@H+](CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000499641680 340042078 /nfs/dbraw/zinc/04/20/78/340042078.db2.gz LLYLNJWARSVOHF-UHFFFAOYSA-N 1 2 314.473 4.640 20 30 DJEDLO C[C@H](C[N@H+](CC#N)C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000500105508 340050382 /nfs/dbraw/zinc/05/03/82/340050382.db2.gz VSTUANDQRVTSBL-CYBMUJFWSA-N 1 2 310.363 4.577 20 30 DJEDLO C[C@H](C[N@@H+](CC#N)C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000500105508 340050383 /nfs/dbraw/zinc/05/03/83/340050383.db2.gz VSTUANDQRVTSBL-CYBMUJFWSA-N 1 2 310.363 4.577 20 30 DJEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1sc(C)nc1C ZINC000506101380 340185770 /nfs/dbraw/zinc/18/57/70/340185770.db2.gz QEIXALVNJXDPHN-UHFFFAOYSA-N 1 2 312.891 4.663 20 30 DJEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1sc(C)nc1C ZINC000506101380 340185771 /nfs/dbraw/zinc/18/57/71/340185771.db2.gz QEIXALVNJXDPHN-UHFFFAOYSA-N 1 2 312.891 4.663 20 30 DJEDLO CC(C)(C#N)c1ccccc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000510094203 340288499 /nfs/dbraw/zinc/28/84/99/340288499.db2.gz RLTVFMCCKHUQRL-UHFFFAOYSA-N 1 2 306.400 4.545 20 30 DJEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2)on1)Cc1cccs1 ZINC000510800269 340311393 /nfs/dbraw/zinc/31/13/93/340311393.db2.gz YPYLHYVBYOKMLR-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO C=CC[N@H+](Cc1cc(-c2ccccc2)on1)Cc1cccs1 ZINC000510800269 340311394 /nfs/dbraw/zinc/31/13/94/340311394.db2.gz YPYLHYVBYOKMLR-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1ncc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000187375255 340519401 /nfs/dbraw/zinc/51/94/01/340519401.db2.gz YKZFZZYHTIATNM-QGZVFWFLSA-N 1 2 322.424 4.952 20 30 DJEDLO C=CCCC[C@@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000539430912 340885224 /nfs/dbraw/zinc/88/52/24/340885224.db2.gz VLZYFZLZGARTBR-MRXNPFEDSA-N 1 2 324.424 4.657 20 30 DJEDLO Cc1ccccc1-c1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000545928664 341146700 /nfs/dbraw/zinc/14/67/00/341146700.db2.gz SYLUEXIQGPOQJV-UHFFFAOYSA-N 1 2 313.404 4.735 20 30 DJEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000546579207 341173355 /nfs/dbraw/zinc/17/33/55/341173355.db2.gz KFJMILDAHKJVBT-CQSZACIVSA-N 1 2 322.330 4.747 20 30 DJEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccccc3)cc2F)c1 ZINC000547340178 341207225 /nfs/dbraw/zinc/20/72/25/341207225.db2.gz KHZTYLBMVNSNRG-UHFFFAOYSA-N 1 2 317.367 4.566 20 30 DJEDLO C=CCC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccco1 ZINC000552048087 341365001 /nfs/dbraw/zinc/36/50/01/341365001.db2.gz GTTXVEYKSOHBOS-KRWDZBQOSA-N 1 2 308.381 4.732 20 30 DJEDLO C=C(C)C[C@H](C)c1nc(Cn2c3ccccc3[nH+]c2C(C)C)no1 ZINC000568445740 341671433 /nfs/dbraw/zinc/67/14/33/341671433.db2.gz SODYJPFOAUIXKB-AWEZNQCLSA-N 1 2 324.428 4.661 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(F)c(F)c1 ZINC000187769861 332379410 /nfs/dbraw/zinc/37/94/10/332379410.db2.gz VLSWRFNYZNXRBY-SFHVURJKSA-N 1 2 314.335 4.513 20 30 DJEDLO N#Cc1cccc(CNc2cccc([NH+]3CCCCCC3)c2)c1 ZINC000151490912 332581267 /nfs/dbraw/zinc/58/12/67/332581267.db2.gz JCIZSNRKTTYWDO-UHFFFAOYSA-N 1 2 305.425 4.551 20 30 DJEDLO N#Cc1ccc(CNc2cccc([NH+]3CCCCCC3)c2)s1 ZINC000151496048 332581558 /nfs/dbraw/zinc/58/15/58/332581558.db2.gz DPIZTWBDTFWNBE-UHFFFAOYSA-N 1 2 311.454 4.612 20 30 DJEDLO CC(C)c1nc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cs1 ZINC000186427808 333219417 /nfs/dbraw/zinc/21/94/17/333219417.db2.gz OLBTUQYQLFRKRF-ZBFHGGJFSA-N 1 2 313.470 4.962 20 30 DJEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000186332871 335157090 /nfs/dbraw/zinc/15/70/90/335157090.db2.gz QIAJBDQWNZNNAW-CQSZACIVSA-N 1 2 316.470 4.682 20 30 DJEDLO Cc1ccc[nH+]c1[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000281221198 334124084 /nfs/dbraw/zinc/12/40/84/334124084.db2.gz KLBZCCZFGQTQIN-HKUYNNGSSA-N 1 2 305.425 4.594 20 30 DJEDLO Cc1cccc2[nH+]c(CS[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000443157218 338445614 /nfs/dbraw/zinc/44/56/14/338445614.db2.gz QJTFPPPAZRNBAS-AWEZNQCLSA-N 1 2 307.422 4.509 20 30 DJEDLO CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1[nH]cc[nH+]1 ZINC000328719149 334748115 /nfs/dbraw/zinc/74/81/15/334748115.db2.gz GEGBTRZVFARUCJ-JONQDZQNSA-N 1 2 303.450 4.670 20 30 DJEDLO Cc1cc(C)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)[nH+]1 ZINC000330317384 336153528 /nfs/dbraw/zinc/15/35/28/336153528.db2.gz QJPMOVINWFEJGT-UHFFFAOYSA-N 1 2 323.396 4.522 20 30 DJEDLO N#Cc1cc(F)ccc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000103138615 336239504 /nfs/dbraw/zinc/23/95/04/336239504.db2.gz FTMVXDHHJYINBW-UHFFFAOYSA-N 1 2 316.379 4.577 20 30 DJEDLO CC[C@H](C#N)Oc1cccc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000301294160 336299193 /nfs/dbraw/zinc/29/91/93/336299193.db2.gz RKHVMJLHCDWBMO-QGZVFWFLSA-N 1 2 317.392 4.528 20 30 DJEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1csc(C)n1)c1ccc(F)c(F)c1 ZINC000274739111 337660664 /nfs/dbraw/zinc/66/06/64/337660664.db2.gz DYPPBHOMWYTYGO-MGPLVRAMSA-N 1 2 308.397 4.698 20 30 DJEDLO CCC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428352852 338048550 /nfs/dbraw/zinc/04/85/50/338048550.db2.gz RUUCOUFNSARVJI-SFHVURJKSA-N 1 2 318.342 4.607 20 30 DJEDLO C[N@H+](Cc1csc2ccccc12)Cc1cc(F)ccc1C#N ZINC000469195976 339282737 /nfs/dbraw/zinc/28/27/37/339282737.db2.gz HKBAIRNQJMUIAK-UHFFFAOYSA-N 1 2 310.397 4.544 20 30 DJEDLO C[N@@H+](Cc1csc2ccccc12)Cc1cc(F)ccc1C#N ZINC000469195976 339282738 /nfs/dbraw/zinc/28/27/38/339282738.db2.gz HKBAIRNQJMUIAK-UHFFFAOYSA-N 1 2 310.397 4.544 20 30 DJEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(F)cccc1Cl ZINC000480882978 339589572 /nfs/dbraw/zinc/58/95/72/339589572.db2.gz ZQMLDDHCSGRBSA-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000487704915 339761398 /nfs/dbraw/zinc/76/13/98/339761398.db2.gz LERPSZSGTUUZSM-HNNXBMFYSA-N 1 2 310.397 4.723 20 30 DJEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507229981 340214621 /nfs/dbraw/zinc/21/46/21/340214621.db2.gz NMOHBKKWFNHWFF-JTQLQIEISA-N 1 2 309.196 4.651 20 30 DJEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507229981 340214622 /nfs/dbraw/zinc/21/46/22/340214622.db2.gz NMOHBKKWFNHWFF-JTQLQIEISA-N 1 2 309.196 4.651 20 30 DJEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234423 340314671 /nfs/dbraw/zinc/31/46/71/340314671.db2.gz ZRJMLRCYDQMJQD-ORAYPTAESA-N 1 2 324.399 4.578 20 30 DJEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234423 340314672 /nfs/dbraw/zinc/31/46/72/340314672.db2.gz ZRJMLRCYDQMJQD-ORAYPTAESA-N 1 2 324.399 4.578 20 30 DJEDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512646674 340370724 /nfs/dbraw/zinc/37/07/24/340370724.db2.gz CDTBZLTUWUDNDF-VBKZILBWSA-N 1 2 320.367 4.731 20 30 DJEDLO COc1c(C)c[nH+]c(CS[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000540725025 340943316 /nfs/dbraw/zinc/94/33/16/340943316.db2.gz MQYBLALFYXFTHD-AWEZNQCLSA-N 1 2 312.438 4.573 20 30 DJEDLO Cc1cccc2[nH+]c(CS[C@H](C)c3ccc(C#N)cc3)cn21 ZINC000541161596 340960351 /nfs/dbraw/zinc/96/03/51/340960351.db2.gz VKTUMOIDMSDXPO-CQSZACIVSA-N 1 2 307.422 4.509 20 30 DJEDLO N#Cc1cccc(C2([NH2+]Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000551410866 341340832 /nfs/dbraw/zinc/34/08/32/341340832.db2.gz HFVUGHOHQLTZJF-UHFFFAOYSA-N 1 2 317.219 4.644 20 30 DJEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)cc1Cl ZINC000019232935 182110516 /nfs/dbraw/zinc/11/05/16/182110516.db2.gz HJNBGPCMFABOIP-LLVKDONJSA-N 1 2 305.208 4.716 20 30 DJEDLO C=CCC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccco1 ZINC000286368507 335033653 /nfs/dbraw/zinc/03/36/53/335033653.db2.gz ZNPYPCXUAATUAE-ZDUSSCGKSA-N 1 2 304.459 4.831 20 30 DJEDLO CC(C)c1nc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cs1 ZINC000186427823 333219400 /nfs/dbraw/zinc/21/94/00/333219400.db2.gz OLBTUQYQLFRKRF-HOCLYGCPSA-N 1 2 313.470 4.962 20 30 DJEDLO COc1c(C)c[nH+]c(CS[C@H](C)c2ccc(C#N)cc2)c1C ZINC000540725028 333340430 /nfs/dbraw/zinc/34/04/30/333340430.db2.gz MQYBLALFYXFTHD-CQSZACIVSA-N 1 2 312.438 4.573 20 30 DJEDLO Cc1cccn2cc(CS[C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000443136086 338445370 /nfs/dbraw/zinc/44/53/70/338445370.db2.gz QKGRIQJZORQEJW-CQSZACIVSA-N 1 2 307.422 4.509 20 30 DJEDLO Cc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000330727588 334810219 /nfs/dbraw/zinc/81/02/19/334810219.db2.gz MFYCUWWUVRZICX-UHFFFAOYSA-N 1 2 317.458 4.706 20 30 DJEDLO Cc1cc([C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)s1 ZINC000331238994 334849736 /nfs/dbraw/zinc/84/97/36/334849736.db2.gz OECHGDBQCRBEJP-GFCCVEGCSA-N 1 2 317.458 4.772 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccc(F)c(F)c1 ZINC000479404377 335289118 /nfs/dbraw/zinc/28/91/18/335289118.db2.gz DDYNAOBKLTZJDN-QGZVFWFLSA-N 1 2 309.306 4.650 20 30 DJEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(C2CCCCC2)CCCCC1 ZINC000329985570 336102691 /nfs/dbraw/zinc/10/26/91/336102691.db2.gz RDMPKMJIFWRSCP-UHFFFAOYSA-N 1 2 303.450 4.705 20 30 DJEDLO Cc1ccc(CNc2ccccc2SC[C@@H](C)C#N)c(C)[nH+]1 ZINC000184446694 337197287 /nfs/dbraw/zinc/19/72/87/337197287.db2.gz JJJHHHSDJRRVBU-ZDUSSCGKSA-N 1 2 311.454 4.562 20 30 DJEDLO C=CCC1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000191630262 337298232 /nfs/dbraw/zinc/29/82/32/337298232.db2.gz GIXBEWUQRJGLIR-UHFFFAOYSA-N 1 2 308.381 4.559 20 30 DJEDLO N#CCCCOc1ccc[nH+]c1NCc1csc2ccccc12 ZINC000162271442 337611885 /nfs/dbraw/zinc/61/18/85/337611885.db2.gz BYXAHEKUTFTBHF-UHFFFAOYSA-N 1 2 323.421 4.591 20 30 DJEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1csc(C)n1)c1ccc(F)c(F)c1 ZINC000274739114 337660560 /nfs/dbraw/zinc/66/05/60/337660560.db2.gz DYPPBHOMWYTYGO-QFYYESIMSA-N 1 2 308.397 4.698 20 30 DJEDLO N#Cc1ccc(C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)o1 ZINC000447054344 338543678 /nfs/dbraw/zinc/54/36/78/338543678.db2.gz MVONEPYJHSZZHJ-UHFFFAOYSA-N 1 2 321.207 4.627 20 30 DJEDLO N#Cc1csc(C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)n1 ZINC000459720293 339044300 /nfs/dbraw/zinc/04/43/00/339044300.db2.gz SNJMHDOIRORSQC-GOSISDBHSA-N 1 2 323.465 4.522 20 30 DJEDLO N#Cc1csc(C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)n1 ZINC000459720293 339044301 /nfs/dbraw/zinc/04/43/01/339044301.db2.gz SNJMHDOIRORSQC-GOSISDBHSA-N 1 2 323.465 4.522 20 30 DJEDLO CCCCn1cc[nH+]c1-c1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000463302904 339114158 /nfs/dbraw/zinc/11/41/58/339114158.db2.gz SYANZJGIVFALPY-SJLPKXTDSA-N 1 2 322.456 4.844 20 30 DJEDLO N#CC1(C[N@@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)CC1 ZINC000501528174 340082751 /nfs/dbraw/zinc/08/27/51/340082751.db2.gz ONOKTCCVCNNIJC-IBGZPJMESA-N 1 2 322.839 4.743 20 30 DJEDLO N#CC1(C[N@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)CC1 ZINC000501528174 340082752 /nfs/dbraw/zinc/08/27/52/340082752.db2.gz ONOKTCCVCNNIJC-IBGZPJMESA-N 1 2 322.839 4.743 20 30 DJEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccccc1F ZINC000512506267 340364722 /nfs/dbraw/zinc/36/47/22/340364722.db2.gz JHRYBQMUNUTMPN-INIZCTEOSA-N 1 2 315.436 4.742 20 30 DJEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccccc1F ZINC000512506267 340364723 /nfs/dbraw/zinc/36/47/23/340364723.db2.gz JHRYBQMUNUTMPN-INIZCTEOSA-N 1 2 315.436 4.742 20 30 DJEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512628701 340369853 /nfs/dbraw/zinc/36/98/53/340369853.db2.gz GGBXNRFHBWYIJZ-QWRGUYRKSA-N 1 2 320.770 4.902 20 30 DJEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 ZINC000187494597 340520551 /nfs/dbraw/zinc/52/05/51/340520551.db2.gz DUMGRWNANVRWSP-LBPRGKRZSA-N 1 2 310.784 4.809 20 30 DJEDLO N#CCCC[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000542497184 341010554 /nfs/dbraw/zinc/01/05/54/341010554.db2.gz BDZFOHPNDSTSLP-QGZVFWFLSA-N 1 2 320.770 4.601 20 30 DJEDLO CCC(CC)C[N@H+](CCC#N)Cc1ncc(-c2cccs2)o1 ZINC000072692662 341099053 /nfs/dbraw/zinc/09/90/53/341099053.db2.gz XQMDCNCRHUWJJR-UHFFFAOYSA-N 1 2 317.458 4.555 20 30 DJEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ncc(-c2cccs2)o1 ZINC000072692662 341099054 /nfs/dbraw/zinc/09/90/54/341099054.db2.gz XQMDCNCRHUWJJR-UHFFFAOYSA-N 1 2 317.458 4.555 20 30 DJEDLO Cc1ccc(-c2ccc(CNc3cc(CC#N)cc[nH+]3)s2)cc1 ZINC000545218968 341115073 /nfs/dbraw/zinc/11/50/73/341115073.db2.gz BVCBKCUDSDGUAE-UHFFFAOYSA-N 1 2 319.433 4.797 20 30 DJEDLO C[C@H](Nc1ccc([NH2+]C[C@H](C#N)CCC#N)cc1)c1ccccc1 ZINC000566124439 341548443 /nfs/dbraw/zinc/54/84/43/341548443.db2.gz HHOWOSPTWMOEBV-IRXDYDNUSA-N 1 2 318.424 4.715 20 30 DJEDLO CC(C)Oc1cccc([C@H]([NH2+]CC(C)(C)CCC#N)C(F)F)c1 ZINC000566473975 341559113 /nfs/dbraw/zinc/55/91/13/341559113.db2.gz CDJUGGSVXALWII-INIZCTEOSA-N 1 2 324.415 4.700 20 30 DJEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(Cl)c1Cl ZINC000183765306 333187539 /nfs/dbraw/zinc/18/75/39/333187539.db2.gz SSKYOZLFZHEDNP-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO Cc1ccc[nH+]c1[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000281221205 334123958 /nfs/dbraw/zinc/12/39/58/334123958.db2.gz KLBZCCZFGQTQIN-MJGOQNOKSA-N 1 2 305.425 4.594 20 30 DJEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc2ccccc2c1 ZINC000341950445 334495184 /nfs/dbraw/zinc/49/51/84/334495184.db2.gz OALRPKHCXMCXRK-UHFFFAOYSA-N 1 2 317.392 4.529 20 30 DJEDLO CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1[nH]cc[nH+]1 ZINC000328719148 334748083 /nfs/dbraw/zinc/74/80/83/334748083.db2.gz GEGBTRZVFARUCJ-JJXSEGSLSA-N 1 2 303.450 4.670 20 30 DJEDLO C=CCC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccc(C(F)(F)F)cc1 ZINC000345014733 335291264 /nfs/dbraw/zinc/29/12/64/335291264.db2.gz GRCPVTJIXHEZSV-INIZCTEOSA-N 1 2 323.362 4.534 20 30 DJEDLO CC1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCCCCC1 ZINC000329713616 336066720 /nfs/dbraw/zinc/06/67/20/336066720.db2.gz RSXQYSZLEHBSEJ-UHFFFAOYSA-N 1 2 311.429 4.894 20 30 DJEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000030972179 336277179 /nfs/dbraw/zinc/27/71/79/336277179.db2.gz XJBWDKRDKUQNTI-GFCCVEGCSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000030972179 336277180 /nfs/dbraw/zinc/27/71/80/336277180.db2.gz XJBWDKRDKUQNTI-GFCCVEGCSA-N 1 2 302.780 4.544 20 30 DJEDLO Cc1ccc(CNc2ccccc2S[C@H](C)CC#N)c(C)[nH+]1 ZINC000184448156 337197336 /nfs/dbraw/zinc/19/73/36/337197336.db2.gz WYUVEOTYMFKJSL-CQSZACIVSA-N 1 2 311.454 4.705 20 30 DJEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(Cl)ccc1Cl ZINC000428294493 338046003 /nfs/dbraw/zinc/04/60/03/338046003.db2.gz MJCIEARDIIDJEA-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428326944 338047323 /nfs/dbraw/zinc/04/73/23/338047323.db2.gz QVUNCYYAMDSHGK-ZDUSSCGKSA-N 1 2 308.356 4.603 20 30 DJEDLO C=CC[N@@H+](C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000428388355 338049886 /nfs/dbraw/zinc/04/98/86/338049886.db2.gz IIZWSISEALXEBG-UHFFFAOYSA-N 1 2 313.253 4.735 20 30 DJEDLO C=CC[N@H+](C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000428388355 338049887 /nfs/dbraw/zinc/04/98/87/338049887.db2.gz IIZWSISEALXEBG-UHFFFAOYSA-N 1 2 313.253 4.735 20 30 DJEDLO C=CC[N@@H+](CCC#N)C/C(C)=C/c1ccccc1C(F)(F)F ZINC000430091032 338095903 /nfs/dbraw/zinc/09/59/03/338095903.db2.gz QFNCVIOOJUEOGB-WYMLVPIESA-N 1 2 308.347 4.510 20 30 DJEDLO C=CC[N@H+](CCC#N)C/C(C)=C/c1ccccc1C(F)(F)F ZINC000430091032 338095904 /nfs/dbraw/zinc/09/59/04/338095904.db2.gz QFNCVIOOJUEOGB-WYMLVPIESA-N 1 2 308.347 4.510 20 30 DJEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1Cl ZINC000447322275 338549569 /nfs/dbraw/zinc/54/95/69/338549569.db2.gz CTVOXUZVAILFSM-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO C=CCOc1cccc(C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000506113022 340185906 /nfs/dbraw/zinc/18/59/06/340185906.db2.gz LBSCZBOXCBUJMG-UHFFFAOYSA-N 1 2 323.392 4.640 20 30 DJEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(Cl)c1Cl ZINC000506760272 340201164 /nfs/dbraw/zinc/20/11/64/340201164.db2.gz UBQMSOINJJDVIU-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(Cl)c1Cl ZINC000506760272 340201165 /nfs/dbraw/zinc/20/11/65/340201165.db2.gz UBQMSOINJJDVIU-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO CC[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)C[C@H](C)C#N ZINC000509796865 340279376 /nfs/dbraw/zinc/27/93/76/340279376.db2.gz DOUNGCZEKLSRCF-CYBMUJFWSA-N 1 2 302.805 4.582 20 30 DJEDLO CC[N@H+](Cc1ccc(-c2ccccc2Cl)o1)C[C@H](C)C#N ZINC000509796865 340279377 /nfs/dbraw/zinc/27/93/77/340279377.db2.gz DOUNGCZEKLSRCF-CYBMUJFWSA-N 1 2 302.805 4.582 20 30 DJEDLO C=CC[N@H+](Cc1ccc2ccccc2n1)Cc1ccccc1F ZINC000510233383 340293418 /nfs/dbraw/zinc/29/34/18/340293418.db2.gz JXTCYHSNPBHFRX-UHFFFAOYSA-N 1 2 306.384 4.562 20 30 DJEDLO C=CC[N@@H+](Cc1ccc2ccccc2n1)Cc1ccccc1F ZINC000510233383 340293419 /nfs/dbraw/zinc/29/34/19/340293419.db2.gz JXTCYHSNPBHFRX-UHFFFAOYSA-N 1 2 306.384 4.562 20 30 DJEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccc(F)cc3)s2)c1 ZINC000545928672 341146686 /nfs/dbraw/zinc/14/66/86/341146686.db2.gz VNLDIHMXZLPULN-UHFFFAOYSA-N 1 2 323.396 4.627 20 30 DJEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccccc3Cl)o2)c1 ZINC000545927296 341146693 /nfs/dbraw/zinc/14/66/93/341146693.db2.gz SPBALNBUZHBDIS-UHFFFAOYSA-N 1 2 323.783 4.673 20 30 DJEDLO N#Cc1ccccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC000041055250 183160023 /nfs/dbraw/zinc/16/00/23/183160023.db2.gz QPOCUFTUSSJLSL-UHFFFAOYSA-N 1 2 324.181 4.613 20 30 DJEDLO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000287863309 131303365 /nfs/dbraw/zinc/30/33/65/131303365.db2.gz XMZZPNAUVOYACU-SJCJKPOMSA-N 1 2 314.816 4.719 20 30 DJEDLO N#Cc1csc(CNc2cccc([NH+]3CCCCCC3)c2)c1 ZINC000151497848 332581495 /nfs/dbraw/zinc/58/14/95/332581495.db2.gz NAMFMUQTEAUZIJ-UHFFFAOYSA-N 1 2 311.454 4.612 20 30 DJEDLO C=CCC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccc(C(F)(F)F)cc1 ZINC000345014744 335291376 /nfs/dbraw/zinc/29/13/76/335291376.db2.gz GRCPVTJIXHEZSV-MRXNPFEDSA-N 1 2 323.362 4.534 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(F)c(F)c1 ZINC000571783844 337576749 /nfs/dbraw/zinc/57/67/49/337576749.db2.gz NNUQNZBABAXIPI-QGZVFWFLSA-N 1 2 320.383 4.657 20 30 DJEDLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428450899 338052260 /nfs/dbraw/zinc/05/22/60/338052260.db2.gz ZPPCXLZUTHFQTD-CYBMUJFWSA-N 1 2 308.356 4.637 20 30 DJEDLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428450899 338052261 /nfs/dbraw/zinc/05/22/61/338052261.db2.gz ZPPCXLZUTHFQTD-CYBMUJFWSA-N 1 2 308.356 4.637 20 30 DJEDLO CC(C)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000469164873 339281874 /nfs/dbraw/zinc/28/18/74/339281874.db2.gz XETMPQHCIFFSTD-CGZBRXJRSA-N 1 2 324.390 4.567 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1c(F)cccc1F)c1ccc(F)c(F)c1 ZINC000481619368 339607876 /nfs/dbraw/zinc/60/78/76/339607876.db2.gz JMOGFSGZIPLDSV-KRWDZBQOSA-N 1 2 309.306 4.650 20 30 DJEDLO N#CC1(CCC[N@@H+](c2ccccc2)C2CCCC2)CCOCC1 ZINC000499521084 340038486 /nfs/dbraw/zinc/03/84/86/340038486.db2.gz VYAKDGDSDLTJIS-UHFFFAOYSA-N 1 2 312.457 4.536 20 30 DJEDLO N#CC1(CCC[N@H+](c2ccccc2)C2CCCC2)CCOCC1 ZINC000499521084 340038487 /nfs/dbraw/zinc/03/84/87/340038487.db2.gz VYAKDGDSDLTJIS-UHFFFAOYSA-N 1 2 312.457 4.536 20 30 DJEDLO C=CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000502330040 340099945 /nfs/dbraw/zinc/09/99/45/340099945.db2.gz GJIQVUMPUBPZGU-UHFFFAOYSA-N 1 2 322.383 4.669 20 30 DJEDLO C=CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000502330040 340099946 /nfs/dbraw/zinc/09/99/46/340099946.db2.gz GJIQVUMPUBPZGU-UHFFFAOYSA-N 1 2 322.383 4.669 20 30 DJEDLO C=CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)Cc1cccs1 ZINC000506012728 340183313 /nfs/dbraw/zinc/18/33/13/340183313.db2.gz QMNSNCIPCPKYAP-UHFFFAOYSA-N 1 2 324.449 4.900 20 30 DJEDLO C=CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)Cc1cccs1 ZINC000506012728 340183314 /nfs/dbraw/zinc/18/33/14/340183314.db2.gz QMNSNCIPCPKYAP-UHFFFAOYSA-N 1 2 324.449 4.900 20 30 DJEDLO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(Cl)s1 ZINC000506126844 340186290 /nfs/dbraw/zinc/18/62/90/340186290.db2.gz WSZQREJPDOWDQE-UHFFFAOYSA-N 1 2 323.893 4.541 20 30 DJEDLO C=CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(Cl)s1 ZINC000506126844 340186291 /nfs/dbraw/zinc/18/62/91/340186291.db2.gz WSZQREJPDOWDQE-UHFFFAOYSA-N 1 2 323.893 4.541 20 30 DJEDLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2cc(C#N)cs2)c1 ZINC000507206040 340213145 /nfs/dbraw/zinc/21/31/45/340213145.db2.gz YKBQVISXAGBOHH-UHFFFAOYSA-N 1 2 322.433 4.724 20 30 DJEDLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2cc(C#N)cs2)c1 ZINC000507206040 340213146 /nfs/dbraw/zinc/21/31/46/340213146.db2.gz YKBQVISXAGBOHH-UHFFFAOYSA-N 1 2 322.433 4.724 20 30 DJEDLO N#Cc1ccc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)s1 ZINC000507729830 340229783 /nfs/dbraw/zinc/22/97/83/340229783.db2.gz AIRWIHXXIRVLPY-UHFFFAOYSA-N 1 2 314.841 4.562 20 30 DJEDLO N#Cc1ccc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)s1 ZINC000507729830 340229784 /nfs/dbraw/zinc/22/97/84/340229784.db2.gz AIRWIHXXIRVLPY-UHFFFAOYSA-N 1 2 314.841 4.562 20 30 DJEDLO CCC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000538226703 340814061 /nfs/dbraw/zinc/81/40/61/340814061.db2.gz WNICLEAXTDWJPY-GOSISDBHSA-N 1 2 318.342 4.607 20 30 DJEDLO C=CC[C@@H](C)[C@@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000538592113 340834523 /nfs/dbraw/zinc/83/45/23/340834523.db2.gz LDKMEJCJYDBYQB-HZPDHXFCSA-N 1 2 307.441 4.614 20 30 DJEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000543786955 341058794 /nfs/dbraw/zinc/05/87/94/341058794.db2.gz IJTYAKDBLFPBEI-LBPRGKRZSA-N 1 2 322.330 4.699 20 30 DJEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000543786955 341058795 /nfs/dbraw/zinc/05/87/95/341058795.db2.gz IJTYAKDBLFPBEI-LBPRGKRZSA-N 1 2 322.330 4.699 20 30 DJEDLO C=CCC[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccco1 ZINC000552048088 341364999 /nfs/dbraw/zinc/36/49/99/341364999.db2.gz GTTXVEYKSOHBOS-QGZVFWFLSA-N 1 2 308.381 4.732 20 30 DJEDLO N#Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000088536814 341400468 /nfs/dbraw/zinc/40/04/68/341400468.db2.gz BEZIKKFYYLRKGQ-OAQYLSRUSA-N 1 2 316.379 4.577 20 30 DJEDLO N#Cc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000041054894 183159654 /nfs/dbraw/zinc/15/96/54/183159654.db2.gz SLRBTOLUGBZVTL-UHFFFAOYSA-N 1 2 313.282 4.869 20 30 DJEDLO C=CCCc1csc([C@@H](C)n2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000534143980 333562948 /nfs/dbraw/zinc/56/29/48/333562948.db2.gz LVOPXPMNUCCROJ-CQSZACIVSA-N 1 2 311.454 4.838 20 30 DJEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 ZINC000187494616 334264315 /nfs/dbraw/zinc/26/43/15/334264315.db2.gz DUMGRWNANVRWSP-GFCCVEGCSA-N 1 2 310.784 4.809 20 30 DJEDLO CC(C)c1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000063750688 334351312 /nfs/dbraw/zinc/35/13/12/334351312.db2.gz FSIFOAMNCZMKSC-UHFFFAOYSA-N 1 2 313.470 4.549 20 30 DJEDLO CC(C)c1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000063750688 334351314 /nfs/dbraw/zinc/35/13/14/334351314.db2.gz FSIFOAMNCZMKSC-UHFFFAOYSA-N 1 2 313.470 4.549 20 30 DJEDLO C=CCC[C@H](NC(=O)Nc1c(C)cc[nH+]c1C)c1ccccc1 ZINC000351954717 336182733 /nfs/dbraw/zinc/18/27/33/336182733.db2.gz AJNUXLJFIDPVIC-KRWDZBQOSA-N 1 2 309.413 4.527 20 30 DJEDLO C=CCC[C@H]([NH2+][C@H]1CCOc2c(F)ccc(F)c21)c1ccco1 ZINC000361187402 336743330 /nfs/dbraw/zinc/74/33/30/336743330.db2.gz IOBVKXSXRYJNSY-GJZGRUSLSA-N 1 2 319.351 4.679 20 30 DJEDLO COc1cccc2c(N[C@H](CCC#N)c3ccccc3)cc[nH+]c12 ZINC000193489010 337013959 /nfs/dbraw/zinc/01/39/59/337013959.db2.gz VXUYTBBMCIFYJK-QGZVFWFLSA-N 1 2 317.392 4.700 20 30 DJEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428457506 338052827 /nfs/dbraw/zinc/05/28/27/338052827.db2.gz JTCHVIUYWPANIZ-LBPRGKRZSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428457506 338052828 /nfs/dbraw/zinc/05/28/28/338052828.db2.gz JTCHVIUYWPANIZ-LBPRGKRZSA-N 1 2 302.780 4.544 20 30 DJEDLO C=CC[N@@H+](CCC#N)Cc1c(OC(C)C)ccc2ccccc21 ZINC000428852686 338062335 /nfs/dbraw/zinc/06/23/35/338062335.db2.gz UXCDPKWGCXFOOG-UHFFFAOYSA-N 1 2 308.425 4.529 20 30 DJEDLO C=CC[N@H+](CCC#N)Cc1c(OC(C)C)ccc2ccccc21 ZINC000428852686 338062336 /nfs/dbraw/zinc/06/23/36/338062336.db2.gz UXCDPKWGCXFOOG-UHFFFAOYSA-N 1 2 308.425 4.529 20 30 DJEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+](C)CC(C)(C)C#N ZINC000433311604 338191436 /nfs/dbraw/zinc/19/14/36/338191436.db2.gz MYDHTMUJNSDLLN-LBPRGKRZSA-N 1 2 317.820 4.538 20 30 DJEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CC(C)(C)C#N ZINC000433311604 338191437 /nfs/dbraw/zinc/19/14/37/338191437.db2.gz MYDHTMUJNSDLLN-LBPRGKRZSA-N 1 2 317.820 4.538 20 30 DJEDLO Cc1cccn2cc(CS[C@@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000439544780 338372730 /nfs/dbraw/zinc/37/27/30/338372730.db2.gz GKCIDJRMQADWJJ-AWEZNQCLSA-N 1 2 307.422 4.509 20 30 DJEDLO C=CCC1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)CCC1 ZINC000489379471 339807605 /nfs/dbraw/zinc/80/76/05/339807605.db2.gz NDJNSSHZRNXDRH-UHFFFAOYSA-N 1 2 322.408 4.867 20 30 DJEDLO C[C@@H](C[N@H+](CC#N)C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000500105510 340050428 /nfs/dbraw/zinc/05/04/28/340050428.db2.gz VSTUANDQRVTSBL-ZDUSSCGKSA-N 1 2 310.363 4.577 20 30 DJEDLO C[C@@H](C[N@@H+](CC#N)C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000500105510 340050429 /nfs/dbraw/zinc/05/04/29/340050429.db2.gz VSTUANDQRVTSBL-ZDUSSCGKSA-N 1 2 310.363 4.577 20 30 DJEDLO C=CCC(C)(C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000508740536 340252066 /nfs/dbraw/zinc/25/20/66/340252066.db2.gz HBWRJZNXRHYNKU-UHFFFAOYSA-N 1 2 310.397 4.723 20 30 DJEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000509815147 340279922 /nfs/dbraw/zinc/27/99/22/340279922.db2.gz PZDNLXKCQIDKMQ-LBPRGKRZSA-N 1 2 322.330 4.557 20 30 DJEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000509815147 340279923 /nfs/dbraw/zinc/27/99/23/340279923.db2.gz PZDNLXKCQIDKMQ-LBPRGKRZSA-N 1 2 322.330 4.557 20 30 DJEDLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512646676 340370742 /nfs/dbraw/zinc/37/07/42/340370742.db2.gz CDTBZLTUWUDNDF-XOBRGWDASA-N 1 2 320.367 4.731 20 30 DJEDLO Cc1[nH+]c(C(C)C)ccc1CSc1ccc(C#N)cc1F ZINC000549056192 341284974 /nfs/dbraw/zinc/28/49/74/341284974.db2.gz IJCGGVYGWRMIGD-UHFFFAOYSA-N 1 2 300.402 4.817 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1csc(CCC)n1)c1ccc(F)c(F)c1 ZINC000187757649 332307634 /nfs/dbraw/zinc/30/76/34/332307634.db2.gz OXLLHABSTDIJOB-KRWDZBQOSA-N 1 2 322.424 4.781 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(F)c(F)c1 ZINC000187769881 332379378 /nfs/dbraw/zinc/37/93/78/332379378.db2.gz VLSWRFNYZNXRBY-GOSISDBHSA-N 1 2 314.335 4.513 20 30 DJEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2C)o1)Cc1ccccc1 ZINC000534528057 334279012 /nfs/dbraw/zinc/27/90/12/334279012.db2.gz CXHYYLWMDQTJIE-UHFFFAOYSA-N 1 2 318.420 4.838 20 30 DJEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2C)o1)Cc1ccccc1 ZINC000534528057 334279014 /nfs/dbraw/zinc/27/90/14/334279014.db2.gz CXHYYLWMDQTJIE-UHFFFAOYSA-N 1 2 318.420 4.838 20 30 DJEDLO N#CCCC1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000583691221 336951978 /nfs/dbraw/zinc/95/19/78/336951978.db2.gz DUEMHLGYKJSCRL-UHFFFAOYSA-N 1 2 303.258 4.571 20 30 DJEDLO Cc1ccc(CNc2ccccc2SC[C@H](C)C#N)c(C)[nH+]1 ZINC000184446712 337197343 /nfs/dbraw/zinc/19/73/43/337197343.db2.gz JJJHHHSDJRRVBU-CYBMUJFWSA-N 1 2 311.454 4.562 20 30 DJEDLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428326943 338047401 /nfs/dbraw/zinc/04/74/01/338047401.db2.gz QVUNCYYAMDSHGK-CYBMUJFWSA-N 1 2 308.356 4.603 20 30 DJEDLO CCC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428352851 338048604 /nfs/dbraw/zinc/04/86/04/338048604.db2.gz RUUCOUFNSARVJI-GOSISDBHSA-N 1 2 318.342 4.607 20 30 DJEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)s1 ZINC000432747601 338166013 /nfs/dbraw/zinc/16/60/13/338166013.db2.gz KVUBLDYHQYBOPY-UHFFFAOYSA-N 1 2 304.381 4.529 20 30 DJEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)s1 ZINC000432747601 338166014 /nfs/dbraw/zinc/16/60/14/338166014.db2.gz KVUBLDYHQYBOPY-UHFFFAOYSA-N 1 2 304.381 4.529 20 30 DJEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc2ccc(F)cc2s1 ZINC000432749406 338166047 /nfs/dbraw/zinc/16/60/47/338166047.db2.gz UMMBLBAKIOHPRT-UHFFFAOYSA-N 1 2 319.449 4.587 20 30 DJEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc2ccc(F)cc2s1 ZINC000432749406 338166048 /nfs/dbraw/zinc/16/60/48/338166048.db2.gz UMMBLBAKIOHPRT-UHFFFAOYSA-N 1 2 319.449 4.587 20 30 DJEDLO C=CC[N@H+](Cc1cccs1)Cc1nc2ccc(F)cc2s1 ZINC000432750354 338166204 /nfs/dbraw/zinc/16/62/04/338166204.db2.gz CLZJYIVSGNWZDX-UHFFFAOYSA-N 1 2 318.442 4.685 20 30 DJEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc2ccc(F)cc2s1 ZINC000432750354 338166205 /nfs/dbraw/zinc/16/62/05/338166205.db2.gz CLZJYIVSGNWZDX-UHFFFAOYSA-N 1 2 318.442 4.685 20 30 DJEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841841 339156876 /nfs/dbraw/zinc/15/68/76/339156876.db2.gz YNSNASQVTYOVMQ-ACJLOTCBSA-N 1 2 312.388 4.572 20 30 DJEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841841 339156877 /nfs/dbraw/zinc/15/68/77/339156877.db2.gz YNSNASQVTYOVMQ-ACJLOTCBSA-N 1 2 312.388 4.572 20 30 DJEDLO C=CCC(CC=C)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000467832030 339247119 /nfs/dbraw/zinc/24/71/19/339247119.db2.gz NIUVSRMHFYHWID-UHFFFAOYSA-N 1 2 309.413 4.537 20 30 DJEDLO C=CCCCC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000478622572 339519466 /nfs/dbraw/zinc/51/94/66/339519466.db2.gz RRWVOEZUGSBYDZ-UHFFFAOYSA-N 1 2 311.429 4.645 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(F)c(F)c1 ZINC000481610612 339607705 /nfs/dbraw/zinc/60/77/05/339607705.db2.gz QRAGADQIICEENG-QGZVFWFLSA-N 1 2 320.408 4.706 20 30 DJEDLO C=CCCc1ccccc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000500454573 340059294 /nfs/dbraw/zinc/05/92/94/340059294.db2.gz ZKHQRSVUPOQXMH-UHFFFAOYSA-N 1 2 309.438 4.665 20 30 DJEDLO C=CC[N@@H+](Cc1csc(C(C)(C)C)n1)Cc1cccs1 ZINC000506010944 340183119 /nfs/dbraw/zinc/18/31/19/340183119.db2.gz WNRHYZCTEBFDJJ-UHFFFAOYSA-N 1 2 306.500 4.690 20 30 DJEDLO C=CC[N@H+](Cc1csc(C(C)(C)C)n1)Cc1cccs1 ZINC000506010944 340183120 /nfs/dbraw/zinc/18/31/20/340183120.db2.gz WNRHYZCTEBFDJJ-UHFFFAOYSA-N 1 2 306.500 4.690 20 30 DJEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1c(Cl)cccc1Cl ZINC000507133019 340208853 /nfs/dbraw/zinc/20/88/53/340208853.db2.gz RPOJHOOBBKMQMK-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1c(Cl)cccc1Cl ZINC000507133019 340208854 /nfs/dbraw/zinc/20/88/54/340208854.db2.gz RPOJHOOBBKMQMK-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000303216536 340313230 /nfs/dbraw/zinc/31/32/30/340313230.db2.gz TWUMYQIXNMWFJH-UHFFFAOYSA-N 1 2 323.198 4.636 20 30 DJEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000303216536 340313231 /nfs/dbraw/zinc/31/32/31/340313231.db2.gz TWUMYQIXNMWFJH-UHFFFAOYSA-N 1 2 323.198 4.636 20 30 DJEDLO C=CCC(C)(C)c1noc(-c2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000551490452 341342799 /nfs/dbraw/zinc/34/27/99/341342799.db2.gz QCJMEJPVSYCUAA-UHFFFAOYSA-N 1 2 321.380 4.778 20 30 DJEDLO C[C@@H](Nc1ccc([NH2+]C[C@H](C#N)CCC#N)cc1)c1ccccc1 ZINC000566124440 341548381 /nfs/dbraw/zinc/54/83/81/341548381.db2.gz HHOWOSPTWMOEBV-SJORKVTESA-N 1 2 318.424 4.715 20 30 DJEDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1CCCSC1 ZINC000329790182 336082078 /nfs/dbraw/zinc/08/20/78/336082078.db2.gz SWGQNGSNWLPTQC-GFCCVEGCSA-N 1 2 315.442 4.562 20 30 DJEDLO N#Cc1nc(Nc2cccc(Oc3cc[nH+]cc3)c2)ccc1Cl ZINC000301516320 336311760 /nfs/dbraw/zinc/31/17/60/336311760.db2.gz GKXVGDAEJCQFIX-UHFFFAOYSA-N 1 2 322.755 4.538 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1oc(C(C)C)nc1C)c1ccc(F)c(F)c1 ZINC000428426968 338051085 /nfs/dbraw/zinc/05/10/85/338051085.db2.gz QFLLYJCSRGHVSU-KRWDZBQOSA-N 1 2 320.383 4.792 20 30 DJEDLO C=CC[N@@H+](CCC#N)C/C(C)=C\c1ccccc1C(F)(F)F ZINC000430091030 338095896 /nfs/dbraw/zinc/09/58/96/338095896.db2.gz QFNCVIOOJUEOGB-OWBHPGMISA-N 1 2 308.347 4.510 20 30 DJEDLO C=CC[N@H+](CCC#N)C/C(C)=C\c1ccccc1C(F)(F)F ZINC000430091030 338095897 /nfs/dbraw/zinc/09/58/97/338095897.db2.gz QFNCVIOOJUEOGB-OWBHPGMISA-N 1 2 308.347 4.510 20 30 DJEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437652 338369423 /nfs/dbraw/zinc/36/94/23/338369423.db2.gz ZTNRELDHSFDUTI-NSHDSACASA-N 1 2 320.770 4.683 20 30 DJEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437652 338369424 /nfs/dbraw/zinc/36/94/24/338369424.db2.gz ZTNRELDHSFDUTI-NSHDSACASA-N 1 2 320.770 4.683 20 30 DJEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437651 338369438 /nfs/dbraw/zinc/36/94/38/338369438.db2.gz ZTNRELDHSFDUTI-LLVKDONJSA-N 1 2 320.770 4.683 20 30 DJEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439437651 338369439 /nfs/dbraw/zinc/36/94/39/338369439.db2.gz ZTNRELDHSFDUTI-LLVKDONJSA-N 1 2 320.770 4.683 20 30 DJEDLO CCCCn1cc[nH+]c1-c1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000463302901 339114135 /nfs/dbraw/zinc/11/41/35/339114135.db2.gz SYANZJGIVFALPY-AEFFLSMTSA-N 1 2 322.456 4.844 20 30 DJEDLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000468886925 339273737 /nfs/dbraw/zinc/27/37/37/339273737.db2.gz HNXMDRRMXKIKBO-ZDUSSCGKSA-N 1 2 308.356 4.637 20 30 DJEDLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000468886925 339273738 /nfs/dbraw/zinc/27/37/38/339273738.db2.gz HNXMDRRMXKIKBO-ZDUSSCGKSA-N 1 2 308.356 4.637 20 30 DJEDLO N#Cc1cc(F)c(CNc2ccc(-c3ccccc3)c[nH+]2)c(F)c1 ZINC000485975175 339717587 /nfs/dbraw/zinc/71/75/87/339717587.db2.gz GOZCQEWTJZJQCT-UHFFFAOYSA-N 1 2 321.330 4.511 20 30 DJEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2Cl)s1 ZINC000506461435 340194984 /nfs/dbraw/zinc/19/49/84/340194984.db2.gz VSQMXEPTRPUWMR-UHFFFAOYSA-N 1 2 304.846 4.804 20 30 DJEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2Cl)s1 ZINC000506461435 340194985 /nfs/dbraw/zinc/19/49/85/340194985.db2.gz VSQMXEPTRPUWMR-UHFFFAOYSA-N 1 2 304.846 4.804 20 30 DJEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000507133266 340209029 /nfs/dbraw/zinc/20/90/29/340209029.db2.gz VAHKOGFSAVZJKA-INIZCTEOSA-N 1 2 321.207 4.795 20 30 DJEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000507133266 340209030 /nfs/dbraw/zinc/20/90/30/340209030.db2.gz VAHKOGFSAVZJKA-INIZCTEOSA-N 1 2 321.207 4.795 20 30 DJEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccc1Cl ZINC000512176007 340350902 /nfs/dbraw/zinc/35/09/02/340350902.db2.gz ADEQBQSAHCKNCC-AWEZNQCLSA-N 1 2 319.832 4.565 20 30 DJEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccc1Cl ZINC000512176007 340350903 /nfs/dbraw/zinc/35/09/03/340350903.db2.gz ADEQBQSAHCKNCC-AWEZNQCLSA-N 1 2 319.832 4.565 20 30 DJEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccccc1F ZINC000512506268 340364652 /nfs/dbraw/zinc/36/46/52/340364652.db2.gz JHRYBQMUNUTMPN-MRXNPFEDSA-N 1 2 315.436 4.742 20 30 DJEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccccc1F ZINC000512506268 340364653 /nfs/dbraw/zinc/36/46/53/340364653.db2.gz JHRYBQMUNUTMPN-MRXNPFEDSA-N 1 2 315.436 4.742 20 30 DJEDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512646675 340370761 /nfs/dbraw/zinc/37/07/61/340370761.db2.gz CDTBZLTUWUDNDF-VLIAUNLRSA-N 1 2 320.367 4.731 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1csc(C(C)C)n1)c1ccc(F)c(F)c1 ZINC000187370737 340519504 /nfs/dbraw/zinc/51/95/04/340519504.db2.gz MOWAOWNGIZSICN-MRXNPFEDSA-N 1 2 322.424 4.952 20 30 DJEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1cc(Cl)ccc1Cl ZINC000189471168 340536443 /nfs/dbraw/zinc/53/64/43/340536443.db2.gz BNYFGFOIXBWLHP-NSHDSACASA-N 1 2 305.208 4.716 20 30 DJEDLO C=CCCC[C@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000539430911 340885205 /nfs/dbraw/zinc/88/52/05/340885205.db2.gz VLZYFZLZGARTBR-INIZCTEOSA-N 1 2 324.424 4.657 20 30 DJEDLO Cc1ccc([NH2+]CCCC(C)(C)C#N)c(OCC(F)(F)F)c1 ZINC000133714048 341182827 /nfs/dbraw/zinc/18/28/27/341182827.db2.gz KUXKCLYAELXZLR-UHFFFAOYSA-N 1 2 314.351 4.678 20 30 DJEDLO Cc1[nH+]c(C(C)C)ccc1COc1ccc(C#N)cc1Cl ZINC000549036005 341284202 /nfs/dbraw/zinc/28/42/02/341284202.db2.gz LVJFZJIDXMOMQK-UHFFFAOYSA-N 1 2 300.789 4.618 20 30 DJEDLO C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)CC(C)(C)C#N ZINC000552085537 341368272 /nfs/dbraw/zinc/36/82/72/341368272.db2.gz BGYUUGPILRSWHU-UHFFFAOYSA-N 1 2 302.805 4.582 20 30 DJEDLO C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)CC(C)(C)C#N ZINC000552085537 341368273 /nfs/dbraw/zinc/36/82/73/341368273.db2.gz BGYUUGPILRSWHU-UHFFFAOYSA-N 1 2 302.805 4.582 20 30 DJEDLO C[C@H](Nc1ccc([NH2+]C[C@@H](C#N)CCC#N)cc1)c1ccccc1 ZINC000566124433 341548478 /nfs/dbraw/zinc/54/84/78/341548478.db2.gz HHOWOSPTWMOEBV-DLBZAZTESA-N 1 2 318.424 4.715 20 30 DJEDLO N#Cc1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000041054862 183159618 /nfs/dbraw/zinc/15/96/18/183159618.db2.gz CBYZQUXYYGCWPI-UHFFFAOYSA-N 1 2 313.282 4.869 20 30 DJEDLO N#Cc1ccc(CNc2cccc([NH+]3CCCCCC3)c2)c(F)c1 ZINC000533445728 331532318 /nfs/dbraw/zinc/53/23/18/331532318.db2.gz NWCIOJCQAHIQAG-UHFFFAOYSA-N 1 2 323.415 4.690 20 30 DJEDLO C=CCCc1csc([C@H](C)n2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000534143979 333562886 /nfs/dbraw/zinc/56/28/86/333562886.db2.gz LVOPXPMNUCCROJ-AWEZNQCLSA-N 1 2 311.454 4.838 20 30 DJEDLO CC(C)(CCC#N)CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277777649 334090790 /nfs/dbraw/zinc/09/07/90/334090790.db2.gz UQDZTGHFVBOREC-UHFFFAOYSA-N 1 2 322.456 4.628 20 30 DJEDLO Cc1ccc[nH+]c1[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000281221201 334124041 /nfs/dbraw/zinc/12/40/41/334124041.db2.gz KLBZCCZFGQTQIN-IEBWSBKVSA-N 1 2 305.425 4.594 20 30 DJEDLO Cc1nc(CC(C)C)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000330494335 334786715 /nfs/dbraw/zinc/78/67/15/334786715.db2.gz OIMULZCPDTWCNP-UHFFFAOYSA-N 1 2 317.458 4.607 20 30 DJEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(Cl)c1Cl ZINC000506759009 335371697 /nfs/dbraw/zinc/37/16/97/335371697.db2.gz OGVXDPJEYYHMKF-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(Cl)c1Cl ZINC000506759009 335371698 /nfs/dbraw/zinc/37/16/98/335371698.db2.gz OGVXDPJEYYHMKF-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C=CCC[C@@H](NC(=O)Nc1c(C)cc[nH+]c1C)c1ccccc1 ZINC000351954718 336182807 /nfs/dbraw/zinc/18/28/07/336182807.db2.gz AJNUXLJFIDPVIC-QGZVFWFLSA-N 1 2 309.413 4.527 20 30 DJEDLO N#CCC[C@H](Nc1[nH+]ccc2ccc(F)cc21)c1ccccc1 ZINC000354889094 336486595 /nfs/dbraw/zinc/48/65/95/336486595.db2.gz RTISCFQINODQMT-SFHVURJKSA-N 1 2 305.356 4.831 20 30 DJEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccsc1Cl ZINC000516685641 338010618 /nfs/dbraw/zinc/01/06/18/338010618.db2.gz FUJFRYVIAQYLDH-UHFFFAOYSA-N 1 2 323.893 4.757 20 30 DJEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccsc1Cl ZINC000516685641 338010619 /nfs/dbraw/zinc/01/06/19/338010619.db2.gz FUJFRYVIAQYLDH-UHFFFAOYSA-N 1 2 323.893 4.757 20 30 DJEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1Cl ZINC000428369270 338049238 /nfs/dbraw/zinc/04/92/38/338049238.db2.gz IUBHYBGQLOBMBB-SNVBAGLBSA-N 1 2 323.198 4.855 20 30 DJEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428457505 338052855 /nfs/dbraw/zinc/05/28/55/338052855.db2.gz JTCHVIUYWPANIZ-GFCCVEGCSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428457505 338052856 /nfs/dbraw/zinc/05/28/56/338052856.db2.gz JTCHVIUYWPANIZ-GFCCVEGCSA-N 1 2 302.780 4.544 20 30 DJEDLO C=CC[C@H]1N(C(=O)Nc2c(C)cc(C)[nH+]c2C)CCCC1(C)C ZINC000455527694 338897861 /nfs/dbraw/zinc/89/78/61/338897861.db2.gz QMJLIQRMBWPYML-MRXNPFEDSA-N 1 2 315.461 4.605 20 30 DJEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841843 339157060 /nfs/dbraw/zinc/15/70/60/339157060.db2.gz YNSNASQVTYOVMQ-SCLBCKFNSA-N 1 2 312.388 4.572 20 30 DJEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841843 339157061 /nfs/dbraw/zinc/15/70/61/339157061.db2.gz YNSNASQVTYOVMQ-SCLBCKFNSA-N 1 2 312.388 4.572 20 30 DJEDLO Cc1cc2[nH+]cn(Cc3ccccc3C(C)(C)C#N)c2cc1C ZINC000477419251 339494459 /nfs/dbraw/zinc/49/44/59/339494459.db2.gz OWWPZHGMWIHRSK-UHFFFAOYSA-N 1 2 303.409 4.503 20 30 DJEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000489361024 339807104 /nfs/dbraw/zinc/80/71/04/339807104.db2.gz OEXOLRVZXWESOY-IBGZPJMESA-N 1 2 310.397 4.723 20 30 DJEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(C#N)cs1 ZINC000506100588 340185536 /nfs/dbraw/zinc/18/55/36/340185536.db2.gz DOXGDNLGFJCZIK-UHFFFAOYSA-N 1 2 308.859 4.523 20 30 DJEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(C#N)cs1 ZINC000506100588 340185537 /nfs/dbraw/zinc/18/55/37/340185537.db2.gz DOXGDNLGFJCZIK-UHFFFAOYSA-N 1 2 308.859 4.523 20 30 DJEDLO C=CC[N@H+](Cc1coc(-c2ccccc2)n1)Cc1ccccc1 ZINC000508532004 340245818 /nfs/dbraw/zinc/24/58/18/340245818.db2.gz QHBWUHJQIJIWFT-UHFFFAOYSA-N 1 2 304.393 4.530 20 30 DJEDLO C=CC[N@@H+](Cc1coc(-c2ccccc2)n1)Cc1ccccc1 ZINC000508532004 340245819 /nfs/dbraw/zinc/24/58/19/340245819.db2.gz QHBWUHJQIJIWFT-UHFFFAOYSA-N 1 2 304.393 4.530 20 30 DJEDLO C=CC[N@@H+](Cc1csc(C(C)(C)C)n1)Cc1ccccc1 ZINC000509054066 340259829 /nfs/dbraw/zinc/25/98/29/340259829.db2.gz UYVDEXFFYLXQGC-UHFFFAOYSA-N 1 2 300.471 4.629 20 30 DJEDLO C=CC[N@H+](Cc1csc(C(C)(C)C)n1)Cc1ccccc1 ZINC000509054066 340259830 /nfs/dbraw/zinc/25/98/30/340259830.db2.gz UYVDEXFFYLXQGC-UHFFFAOYSA-N 1 2 300.471 4.629 20 30 DJEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2Cl)s1 ZINC000509810193 340279792 /nfs/dbraw/zinc/27/97/92/340279792.db2.gz GCGVSJNSPVNSOS-GFCCVEGCSA-N 1 2 304.846 4.660 20 30 DJEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2Cl)s1 ZINC000509810193 340279793 /nfs/dbraw/zinc/27/97/93/340279793.db2.gz GCGVSJNSPVNSOS-GFCCVEGCSA-N 1 2 304.846 4.660 20 30 DJEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)s1 ZINC000512506032 340364709 /nfs/dbraw/zinc/36/47/09/340364709.db2.gz GEVQIFVRQIBEBT-UHFFFAOYSA-N 1 2 323.893 4.757 20 30 DJEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)s1 ZINC000512506032 340364710 /nfs/dbraw/zinc/36/47/10/340364710.db2.gz GEVQIFVRQIBEBT-UHFFFAOYSA-N 1 2 323.893 4.757 20 30 DJEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512628699 340369826 /nfs/dbraw/zinc/36/98/26/340369826.db2.gz GGBXNRFHBWYIJZ-GHMZBOCLSA-N 1 2 320.770 4.902 20 30 DJEDLO C=C1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000524564298 340657625 /nfs/dbraw/zinc/65/76/25/340657625.db2.gz NHBUCYNEJUJTNI-UHFFFAOYSA-N 1 2 318.873 4.539 20 30 DJEDLO Cc1cccc2[nH+]c(CS[C@@H](C)c3ccc(C#N)cc3)cn21 ZINC000541161591 340960365 /nfs/dbraw/zinc/96/03/65/340960365.db2.gz VKTUMOIDMSDXPO-AWEZNQCLSA-N 1 2 307.422 4.509 20 30 DJEDLO N#CCCC[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000542497183 341010503 /nfs/dbraw/zinc/01/05/03/341010503.db2.gz BDZFOHPNDSTSLP-KRWDZBQOSA-N 1 2 320.770 4.601 20 30 DJEDLO CCc1ccc(-c2ccc(CNc3cc(CC#N)cc[nH+]3)o2)cc1 ZINC000547340889 341207262 /nfs/dbraw/zinc/20/72/62/341207262.db2.gz NSAAMYHLHKNWSY-UHFFFAOYSA-N 1 2 317.392 4.582 20 30 DJEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000548425871 341259998 /nfs/dbraw/zinc/25/99/98/341259998.db2.gz KAQOPYURCSATRC-UHFFFAOYSA-N 1 2 317.436 4.517 20 30 DJEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000548425871 341259999 /nfs/dbraw/zinc/25/99/99/341259999.db2.gz KAQOPYURCSATRC-UHFFFAOYSA-N 1 2 317.436 4.517 20 30 DJEDLO CCc1nc(C(C)C)ccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000549464139 341295237 /nfs/dbraw/zinc/29/52/37/341295237.db2.gz JPYYAPPIIKZUCW-UHFFFAOYSA-N 1 2 301.478 4.529 20 30 DJEDLO CCc1nc(C(C)C)ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000549464139 341295238 /nfs/dbraw/zinc/29/52/38/341295238.db2.gz JPYYAPPIIKZUCW-UHFFFAOYSA-N 1 2 301.478 4.529 20 30 DJEDLO N#Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000088536813 341400417 /nfs/dbraw/zinc/40/04/17/341400417.db2.gz BEZIKKFYYLRKGQ-NRFANRHFSA-N 1 2 316.379 4.577 20 30 DJEDLO C[C@@H](Nc1ccc([NH2+]C[C@@H](C#N)CCC#N)cc1)c1ccccc1 ZINC000566124437 341548422 /nfs/dbraw/zinc/54/84/22/341548422.db2.gz HHOWOSPTWMOEBV-IAGOWNOFSA-N 1 2 318.424 4.715 20 30 DJEDLO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000287863307 535941562 /nfs/dbraw/zinc/94/15/62/535941562.db2.gz XMZZPNAUVOYACU-PXAZEXFGSA-N 1 2 314.816 4.719 20 30 DJEDLO CC(C)c1nc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cs1 ZINC000186427838 333219226 /nfs/dbraw/zinc/21/92/26/333219226.db2.gz OLBTUQYQLFRKRF-GDBMZVCRSA-N 1 2 313.470 4.962 20 30 DJEDLO CC[N@H+](Cc1c(F)cccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497593982 333267382 /nfs/dbraw/zinc/26/73/82/333267382.db2.gz NLJBMDSOJSVGKS-CYBMUJFWSA-N 1 2 316.807 4.934 20 30 DJEDLO CC[N@@H+](Cc1c(F)cccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497593982 333267383 /nfs/dbraw/zinc/26/73/83/333267383.db2.gz NLJBMDSOJSVGKS-CYBMUJFWSA-N 1 2 316.807 4.934 20 30 DJEDLO Cc1ccc[nH+]c1[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000281221210 334124018 /nfs/dbraw/zinc/12/40/18/334124018.db2.gz KLBZCCZFGQTQIN-PKOBYXMFSA-N 1 2 305.425 4.594 20 30 DJEDLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1C#N ZINC000444007121 338466857 /nfs/dbraw/zinc/46/68/57/338466857.db2.gz ABARCCLDEZOMTP-QGZVFWFLSA-N 1 2 318.342 4.650 20 30 DJEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(Cl)ccc1Cl ZINC000428294494 338046007 /nfs/dbraw/zinc/04/60/07/338046007.db2.gz MJCIEARDIIDJEA-SNVBAGLBSA-N 1 2 323.198 4.855 20 30 DJEDLO Cc1ccc(C)c2[nH+]c(-c3cccc(OCCCC#N)c3)[nH]c21 ZINC000430935964 338119159 /nfs/dbraw/zinc/11/91/59/338119159.db2.gz SFZQJGGRSUXEHH-UHFFFAOYSA-N 1 2 305.381 4.529 20 30 DJEDLO C[C@H](c1ccco1)[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439439182 338369365 /nfs/dbraw/zinc/36/93/65/338369365.db2.gz FAPYWDDFKSHNRM-GFCCVEGCSA-N 1 2 300.789 4.530 20 30 DJEDLO C[C@H](c1ccco1)[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439439182 338369366 /nfs/dbraw/zinc/36/93/66/338369366.db2.gz FAPYWDDFKSHNRM-GFCCVEGCSA-N 1 2 300.789 4.530 20 30 DJEDLO CCCCn1cc[nH+]c1-c1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000463302902 339114216 /nfs/dbraw/zinc/11/42/16/339114216.db2.gz SYANZJGIVFALPY-FUHWJXTLSA-N 1 2 322.456 4.844 20 30 DJEDLO COc1c(C)c[nH+]c(CSc2ccc(C#N)cc2Cl)c1C ZINC000465387804 339175191 /nfs/dbraw/zinc/17/51/91/339175191.db2.gz KNPXZTLMIDDFPN-UHFFFAOYSA-N 1 2 318.829 4.524 20 30 DJEDLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000468886800 339273681 /nfs/dbraw/zinc/27/36/81/339273681.db2.gz HNXMDRRMXKIKBO-CYBMUJFWSA-N 1 2 308.356 4.637 20 30 DJEDLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000468886800 339273682 /nfs/dbraw/zinc/27/36/82/339273682.db2.gz HNXMDRRMXKIKBO-CYBMUJFWSA-N 1 2 308.356 4.637 20 30 DJEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1c(Cl)cccc1Cl ZINC000507132819 340208788 /nfs/dbraw/zinc/20/87/88/340208788.db2.gz PREWLPLLIXEXAE-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1c(Cl)cccc1Cl ZINC000507132819 340208789 /nfs/dbraw/zinc/20/87/89/340208789.db2.gz PREWLPLLIXEXAE-UHFFFAOYSA-N 1 2 311.237 4.559 20 30 DJEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000509832881 340281085 /nfs/dbraw/zinc/28/10/85/340281085.db2.gz OXSJRZLRMYBHJV-NSHDSACASA-N 1 2 323.223 4.845 20 30 DJEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000509832881 340281086 /nfs/dbraw/zinc/28/10/86/340281086.db2.gz OXSJRZLRMYBHJV-NSHDSACASA-N 1 2 323.223 4.845 20 30 DJEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000509832879 340281133 /nfs/dbraw/zinc/28/11/33/340281133.db2.gz OXSJRZLRMYBHJV-LLVKDONJSA-N 1 2 323.223 4.845 20 30 DJEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000509832879 340281134 /nfs/dbraw/zinc/28/11/34/340281134.db2.gz OXSJRZLRMYBHJV-LLVKDONJSA-N 1 2 323.223 4.845 20 30 DJEDLO C=CCCCCCN(C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000509972210 340284327 /nfs/dbraw/zinc/28/43/27/340284327.db2.gz NDFHYNDFHPCMNL-UHFFFAOYSA-N 1 2 324.424 4.692 20 30 DJEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234424 340314677 /nfs/dbraw/zinc/31/46/77/340314677.db2.gz ZRJMLRCYDQMJQD-YJYMSZOUSA-N 1 2 324.399 4.578 20 30 DJEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)o1 ZINC000303234424 340314678 /nfs/dbraw/zinc/31/46/78/340314678.db2.gz ZRJMLRCYDQMJQD-YJYMSZOUSA-N 1 2 324.399 4.578 20 30 DJEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1sccc1Cl ZINC000512565548 340367200 /nfs/dbraw/zinc/36/72/00/340367200.db2.gz QWEJRWNNCLUPNP-UHFFFAOYSA-N 1 2 323.893 4.757 20 30 DJEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1sccc1Cl ZINC000512565548 340367201 /nfs/dbraw/zinc/36/72/01/340367201.db2.gz QWEJRWNNCLUPNP-UHFFFAOYSA-N 1 2 323.893 4.757 20 30 DJEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1c(F)cccc1Cl ZINC000512628702 340369923 /nfs/dbraw/zinc/36/99/23/340369923.db2.gz GGBXNRFHBWYIJZ-WDEREUQCSA-N 1 2 320.770 4.902 20 30 DJEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cc(F)c(Cl)cc1Cl ZINC000539242626 340878093 /nfs/dbraw/zinc/87/80/93/340878093.db2.gz BZAKZQHFHBDPTA-SNVBAGLBSA-N 1 2 323.198 4.855 20 30 DJEDLO CC[N@H+](CCC#N)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000543781392 341058630 /nfs/dbraw/zinc/05/86/30/341058630.db2.gz HQNJCKGTAKZRQZ-UHFFFAOYSA-N 1 2 322.330 4.701 20 30 DJEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000543781392 341058631 /nfs/dbraw/zinc/05/86/31/341058631.db2.gz HQNJCKGTAKZRQZ-UHFFFAOYSA-N 1 2 322.330 4.701 20 30 DJEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000544600552 341088096 /nfs/dbraw/zinc/08/80/96/341088096.db2.gz ZGJKXOGCHZDLCS-JTQLQIEISA-N 1 2 309.196 4.503 20 30 DJEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccccc3F)s2)c1 ZINC000545219713 341115055 /nfs/dbraw/zinc/11/50/55/341115055.db2.gz FSMHPQXPTUKGEV-UHFFFAOYSA-N 1 2 323.396 4.627 20 30 DJEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000547288984 341203733 /nfs/dbraw/zinc/20/37/33/341203733.db2.gz QWOGFJQNTILHJV-CQSZACIVSA-N 1 2 322.330 4.747 20 30 DJEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)cc1Cl ZINC000019232936 182110345 /nfs/dbraw/zinc/11/03/45/182110345.db2.gz HJNBGPCMFABOIP-NSHDSACASA-N 1 2 305.208 4.716 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1csc(CCC)n1)c1ccc(F)c(F)c1 ZINC000187757633 332307600 /nfs/dbraw/zinc/30/76/00/332307600.db2.gz OXLLHABSTDIJOB-QGZVFWFLSA-N 1 2 322.424 4.781 20 30 DJEDLO N#Cc1csc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000531848202 333576461 /nfs/dbraw/zinc/57/64/61/333576461.db2.gz SHWGHRHRVBSIJE-UHFFFAOYSA-N 1 2 323.248 4.705 20 30 DJEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c(C)[nH+]1 ZINC000331339922 334854781 /nfs/dbraw/zinc/85/47/81/334854781.db2.gz SAGUBNCLKNZOPW-ZDUSSCGKSA-N 1 2 315.392 4.541 20 30 DJEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2cccc(C)c2C)c(C)[nH+]1 ZINC000331353302 334858046 /nfs/dbraw/zinc/85/80/46/334858046.db2.gz ZYQPKGBZIAFBDU-HNNXBMFYSA-N 1 2 311.429 4.711 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1cccc(F)c1F)c1ccc(F)c(F)c1 ZINC000479404376 335288657 /nfs/dbraw/zinc/28/86/57/335288657.db2.gz DDYNAOBKLTZJDN-KRWDZBQOSA-N 1 2 309.306 4.650 20 30 DJEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCCCC12CCCC2 ZINC000329600115 336002527 /nfs/dbraw/zinc/00/25/27/336002527.db2.gz DWEBPCVTXIGQQL-HNNXBMFYSA-N 1 2 301.434 4.527 20 30 DJEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000030972182 336277238 /nfs/dbraw/zinc/27/72/38/336277238.db2.gz XJBWDKRDKUQNTI-LBPRGKRZSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000030972182 336277239 /nfs/dbraw/zinc/27/72/39/336277239.db2.gz XJBWDKRDKUQNTI-LBPRGKRZSA-N 1 2 302.780 4.544 20 30 DJEDLO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c2cccc(F)c2[nH+]1 ZINC000301670326 336322339 /nfs/dbraw/zinc/32/23/39/336322339.db2.gz NQRKSCCCBYGXOO-ZDUSSCGKSA-N 1 2 305.356 4.727 20 30 DJEDLO C=CCC1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC1 ZINC000190786100 337290780 /nfs/dbraw/zinc/29/07/80/337290780.db2.gz JLSAWQWESMLCNR-UHFFFAOYSA-N 1 2 308.381 4.559 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(F)c(F)c1 ZINC000571783841 337576752 /nfs/dbraw/zinc/57/67/52/337576752.db2.gz NNUQNZBABAXIPI-KRWDZBQOSA-N 1 2 320.383 4.657 20 30 DJEDLO C=CCC[C@@H](CC)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000537489124 337937969 /nfs/dbraw/zinc/93/79/69/337937969.db2.gz GZLDLXGYMIYGLE-QGZVFWFLSA-N 1 2 307.441 4.759 20 30 DJEDLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428450902 338052414 /nfs/dbraw/zinc/05/24/14/338052414.db2.gz ZPPCXLZUTHFQTD-ZDUSSCGKSA-N 1 2 308.356 4.637 20 30 DJEDLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428450902 338052415 /nfs/dbraw/zinc/05/24/15/338052415.db2.gz ZPPCXLZUTHFQTD-ZDUSSCGKSA-N 1 2 308.356 4.637 20 30 DJEDLO C=CCC[C@H](NC(=O)Nc1ccc(C)[nH+]c1C)c1ccccc1 ZINC000435588992 338243008 /nfs/dbraw/zinc/24/30/08/338243008.db2.gz NTXVKSLYFGSRED-SFHVURJKSA-N 1 2 309.413 4.527 20 30 DJEDLO C[C@@H](c1ccco1)[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439439183 338369510 /nfs/dbraw/zinc/36/95/10/338369510.db2.gz FAPYWDDFKSHNRM-LBPRGKRZSA-N 1 2 300.789 4.530 20 30 DJEDLO C[C@@H](c1ccco1)[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439439183 338369511 /nfs/dbraw/zinc/36/95/11/338369511.db2.gz FAPYWDDFKSHNRM-LBPRGKRZSA-N 1 2 300.789 4.530 20 30 DJEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1Cl ZINC000447323899 338549741 /nfs/dbraw/zinc/54/97/41/338549741.db2.gz CTVOXUZVAILFSM-SNVBAGLBSA-N 1 2 323.198 4.855 20 30 DJEDLO CC[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000447576297 338558199 /nfs/dbraw/zinc/55/81/99/338558199.db2.gz XRAALWHVMYOBMC-LJQANCHMSA-N 1 2 320.440 4.507 20 30 DJEDLO Cc1ccc[nH+]c1[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 ZINC000449705880 338647403 /nfs/dbraw/zinc/64/74/03/338647403.db2.gz ZKLHKEDQGXCHRK-PKOBYXMFSA-N 1 2 305.425 4.594 20 30 DJEDLO CC(C)c1ccc(-c2ncc(C[N@@H+](C)C[C@@H](C)C#N)s2)cc1 ZINC000472423529 339371687 /nfs/dbraw/zinc/37/16/87/339371687.db2.gz DBIAWSGAEPVKMB-AWEZNQCLSA-N 1 2 313.470 4.525 20 30 DJEDLO CC(C)c1ccc(-c2ncc(C[N@H+](C)C[C@@H](C)C#N)s2)cc1 ZINC000472423529 339371688 /nfs/dbraw/zinc/37/16/88/339371688.db2.gz DBIAWSGAEPVKMB-AWEZNQCLSA-N 1 2 313.470 4.525 20 30 DJEDLO C=CCCC1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)CC1 ZINC000477119998 339487382 /nfs/dbraw/zinc/48/73/82/339487382.db2.gz KRYLKZGWOSNLMA-UHFFFAOYSA-N 1 2 322.408 4.867 20 30 DJEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(F)cccc1Cl ZINC000480882980 339589540 /nfs/dbraw/zinc/58/95/40/339589540.db2.gz ZQMLDDHCSGRBSA-SNVBAGLBSA-N 1 2 323.198 4.855 20 30 DJEDLO C=CCOc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000506101149 340185857 /nfs/dbraw/zinc/18/58/57/340185857.db2.gz NNXDYWFSMOSXAO-UHFFFAOYSA-N 1 2 323.392 4.640 20 30 DJEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1c(F)cccc1Cl ZINC000507209421 340213540 /nfs/dbraw/zinc/21/35/40/340213540.db2.gz HVSMHLGIASAQRE-GFCCVEGCSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000507209421 340213541 /nfs/dbraw/zinc/21/35/41/340213541.db2.gz HVSMHLGIASAQRE-GFCCVEGCSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1c(F)cccc1Cl ZINC000507209422 340213561 /nfs/dbraw/zinc/21/35/61/340213561.db2.gz HVSMHLGIASAQRE-LBPRGKRZSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000507209422 340213562 /nfs/dbraw/zinc/21/35/62/340213562.db2.gz HVSMHLGIASAQRE-LBPRGKRZSA-N 1 2 302.780 4.544 20 30 DJEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1Cl ZINC000187193045 340518385 /nfs/dbraw/zinc/51/83/85/340518385.db2.gz QMFJQACMIYCVCS-NSHDSACASA-N 1 2 305.208 4.716 20 30 DJEDLO C=CC[C@@H](C)[C@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000538592110 340834559 /nfs/dbraw/zinc/83/45/59/340834559.db2.gz LDKMEJCJYDBYQB-CVEARBPZSA-N 1 2 307.441 4.614 20 30 DJEDLO N#Cc1ccccc1C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000539334608 340881460 /nfs/dbraw/zinc/88/14/60/340881460.db2.gz BVGMUNVHAQKIGW-UHFFFAOYSA-N 1 2 317.219 4.644 20 30 DJEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000543786954 341058827 /nfs/dbraw/zinc/05/88/27/341058827.db2.gz IJTYAKDBLFPBEI-GFCCVEGCSA-N 1 2 322.330 4.699 20 30 DJEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000543786954 341058828 /nfs/dbraw/zinc/05/88/28/341058828.db2.gz IJTYAKDBLFPBEI-GFCCVEGCSA-N 1 2 322.330 4.699 20 30 DJEDLO CCC(CC)C[N@H+](CCC#N)Cc1coc(-c2cccs2)n1 ZINC000072693005 341099097 /nfs/dbraw/zinc/09/90/97/341099097.db2.gz KZBBEQAGHMFFMD-UHFFFAOYSA-N 1 2 317.458 4.555 20 30 DJEDLO CCC(CC)C[N@@H+](CCC#N)Cc1coc(-c2cccs2)n1 ZINC000072693005 341099098 /nfs/dbraw/zinc/09/90/98/341099098.db2.gz KZBBEQAGHMFFMD-UHFFFAOYSA-N 1 2 317.458 4.555 20 30 DJEDLO C=CCCCCCN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000156783702 341626252 /nfs/dbraw/zinc/62/62/52/341626252.db2.gz ZFCDXXRKSBBWIV-UHFFFAOYSA-N 1 2 324.424 4.692 20 30 DJEDLO CC[N@H+](Cc1c(F)cccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593983 333267503 /nfs/dbraw/zinc/26/75/03/333267503.db2.gz NLJBMDSOJSVGKS-ZDUSSCGKSA-N 1 2 316.807 4.934 20 30 DJEDLO CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593983 333267505 /nfs/dbraw/zinc/26/75/05/333267505.db2.gz NLJBMDSOJSVGKS-ZDUSSCGKSA-N 1 2 316.807 4.934 20 30 DJEDLO CC(C)(C)c1cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000279211397 334106556 /nfs/dbraw/zinc/10/65/56/334106556.db2.gz WDPSDQNWILFIRP-HNNXBMFYSA-N 1 2 313.470 4.575 20 30 DJEDLO N#CCC[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccccc1 ZINC000290841995 334174919 /nfs/dbraw/zinc/17/49/19/334174919.db2.gz IVOWOFIYNFHVSW-CQSZACIVSA-N 1 2 320.223 4.523 20 30 DJEDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1CCCSC1 ZINC000329790183 336082118 /nfs/dbraw/zinc/08/21/18/336082118.db2.gz SWGQNGSNWLPTQC-LBPRGKRZSA-N 1 2 315.442 4.562 20 30 DJEDLO CC[C@@H](C#N)Oc1cccc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000301294157 336299206 /nfs/dbraw/zinc/29/92/06/336299206.db2.gz RKHVMJLHCDWBMO-KRWDZBQOSA-N 1 2 317.392 4.528 20 30 DJEDLO COc1cccc2c(N[C@@H](CCC#N)c3ccccc3)cc[nH+]c12 ZINC000193488996 337013971 /nfs/dbraw/zinc/01/39/71/337013971.db2.gz VXUYTBBMCIFYJK-KRWDZBQOSA-N 1 2 317.392 4.700 20 30 DJEDLO C=CC[N@@H+](CCC#N)C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000430103236 338096697 /nfs/dbraw/zinc/09/66/97/338096697.db2.gz GZDBHDMHEDUJDG-SDNWHVSQSA-N 1 2 308.347 4.510 20 30 DJEDLO C=CC[N@H+](CCC#N)C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000430103236 338096698 /nfs/dbraw/zinc/09/66/98/338096698.db2.gz GZDBHDMHEDUJDG-SDNWHVSQSA-N 1 2 308.347 4.510 20 30 DJEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C(F)(F)F)s1 ZINC000432750891 338166189 /nfs/dbraw/zinc/16/61/89/338166189.db2.gz PLZLGSTWBHKMGR-UHFFFAOYSA-N 1 2 304.381 4.529 20 30 DJEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)s1 ZINC000432750891 338166190 /nfs/dbraw/zinc/16/61/90/338166190.db2.gz PLZLGSTWBHKMGR-UHFFFAOYSA-N 1 2 304.381 4.529 20 30 DJEDLO Cc1cccn2cc(CS[C@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000439544782 338372796 /nfs/dbraw/zinc/37/27/96/338372796.db2.gz GKCIDJRMQADWJJ-CQSZACIVSA-N 1 2 307.422 4.509 20 30 DJEDLO Cc1[nH+]c(C(C)C)ccc1CNc1ccc(CC#N)cc1Cl ZINC000453118007 338795886 /nfs/dbraw/zinc/79/58/86/338795886.db2.gz ARYWQLZZWWNSOZ-UHFFFAOYSA-N 1 2 313.832 4.845 20 30 DJEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841842 339156908 /nfs/dbraw/zinc/15/69/08/339156908.db2.gz YNSNASQVTYOVMQ-FZKQIMNGSA-N 1 2 312.388 4.572 20 30 DJEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccc(F)cc2C#N)o1 ZINC000464841842 339156909 /nfs/dbraw/zinc/15/69/09/339156909.db2.gz YNSNASQVTYOVMQ-FZKQIMNGSA-N 1 2 312.388 4.572 20 30 DJEDLO C=CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000502645423 340109599 /nfs/dbraw/zinc/10/95/99/340109599.db2.gz APOZQPMYSMBGGA-UHFFFAOYSA-N 1 2 322.383 4.669 20 30 DJEDLO C=CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000502645423 340109600 /nfs/dbraw/zinc/10/96/00/340109600.db2.gz APOZQPMYSMBGGA-UHFFFAOYSA-N 1 2 322.383 4.669 20 30 DJEDLO C=CC[N@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000508532436 340245999 /nfs/dbraw/zinc/24/59/99/340245999.db2.gz TVXUGGVBOCARLT-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO C=CC[N@@H+](Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000508532436 340246000 /nfs/dbraw/zinc/24/60/00/340246000.db2.gz TVXUGGVBOCARLT-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1ncc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000187375275 340519498 /nfs/dbraw/zinc/51/94/98/340519498.db2.gz YKZFZZYHTIATNM-KRWDZBQOSA-N 1 2 322.424 4.952 20 30 DJEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000546634050 341176440 /nfs/dbraw/zinc/17/64/40/341176440.db2.gz RHEPRIIZUJNPNJ-UHFFFAOYSA-N 1 2 323.783 4.673 20 30 DJEDLO Cc1cc(F)ccc1-c1ccc(C[N@@H+](CCC#N)C(C)C)o1 ZINC000551970155 341356369 /nfs/dbraw/zinc/35/63/69/341356369.db2.gz INFHTBIYYZQZLJ-UHFFFAOYSA-N 1 2 300.377 4.518 20 30 DJEDLO Cc1cc(F)ccc1-c1ccc(C[N@H+](CCC#N)C(C)C)o1 ZINC000551970155 341356370 /nfs/dbraw/zinc/35/63/70/341356370.db2.gz INFHTBIYYZQZLJ-UHFFFAOYSA-N 1 2 300.377 4.518 20 30 DJEDLO C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)CC(C)(C)C#N ZINC000552085661 341368357 /nfs/dbraw/zinc/36/83/57/341368357.db2.gz HLCXUOBFHHXGHQ-UHFFFAOYSA-N 1 2 302.805 4.582 20 30 DJEDLO C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)CC(C)(C)C#N ZINC000552085661 341368358 /nfs/dbraw/zinc/36/83/58/341368358.db2.gz HLCXUOBFHHXGHQ-UHFFFAOYSA-N 1 2 302.805 4.582 20 30 DJEDLO C=CCC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccco1 ZINC000286368500 335033520 /nfs/dbraw/zinc/03/35/20/335033520.db2.gz ZNPYPCXUAATUAE-CYBMUJFWSA-N 1 2 304.459 4.831 20 30 DJEDLO C=CC[N@H+](Cc1ncc(-c2cccs2)o1)Cc1ccccc1 ZINC000518283491 332006416 /nfs/dbraw/zinc/00/64/16/332006416.db2.gz WDKUODWJKJWODI-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO C=CC[N@@H+](Cc1ncc(-c2cccs2)o1)Cc1ccccc1 ZINC000518283491 332006417 /nfs/dbraw/zinc/00/64/17/332006417.db2.gz WDKUODWJKJWODI-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO C=CCCc1ccccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000409870764 332062066 /nfs/dbraw/zinc/06/20/66/332062066.db2.gz CLKXSHYNOCTWDK-UHFFFAOYSA-N 1 2 317.436 4.662 20 30 DJEDLO C=CCC[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccco1 ZINC000560525072 332351313 /nfs/dbraw/zinc/35/13/13/332351313.db2.gz GBMLYONHZMZPNR-QGZVFWFLSA-N 1 2 308.381 4.732 20 30 DJEDLO Cc1[nH]c2ccc(CSc3ccc(C#N)cc3Cl)cc2[nH+]1 ZINC000460437115 333087155 /nfs/dbraw/zinc/08/71/55/333087155.db2.gz NOELDJSSMSVZEP-UHFFFAOYSA-N 1 2 313.813 4.689 20 30 DJEDLO Cc1[nH]c2cc(CSc3ccc(C#N)cc3Cl)ccc2[nH+]1 ZINC000460437115 333087157 /nfs/dbraw/zinc/08/71/57/333087157.db2.gz NOELDJSSMSVZEP-UHFFFAOYSA-N 1 2 313.813 4.689 20 30 DJEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000186332883 335157125 /nfs/dbraw/zinc/15/71/25/335157125.db2.gz QIAJBDQWNZNNAW-AWEZNQCLSA-N 1 2 316.470 4.682 20 30 DJEDLO C=C1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000534473787 334271289 /nfs/dbraw/zinc/27/12/89/334271289.db2.gz YCIMWZATEIYURP-UHFFFAOYSA-N 1 2 322.330 4.512 20 30 DJEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000329600119 336002601 /nfs/dbraw/zinc/00/26/01/336002601.db2.gz DWEBPCVTXIGQQL-OAHLLOKOSA-N 1 2 301.434 4.527 20 30 DJEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc(Cl)ccc1Cl ZINC000426156641 338021508 /nfs/dbraw/zinc/02/15/08/338021508.db2.gz LIXTXAOVDGULMC-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO C=C(C)[C@@H]([NH2+]Cc1oc(C(C)C)nc1C)c1ccc(F)c(F)c1 ZINC000428426969 338051036 /nfs/dbraw/zinc/05/10/36/338051036.db2.gz QFLLYJCSRGHVSU-QGZVFWFLSA-N 1 2 320.383 4.792 20 30 DJEDLO C[N@H+](Cc1ccc(Oc2ccccc2)c(F)c1)CC(C)(C)C#N ZINC000433311563 338191403 /nfs/dbraw/zinc/19/14/03/338191403.db2.gz IAELDTDAUUOGEG-UHFFFAOYSA-N 1 2 312.388 4.600 20 30 DJEDLO C[N@@H+](Cc1ccc(Oc2ccccc2)c(F)c1)CC(C)(C)C#N ZINC000433311563 338191404 /nfs/dbraw/zinc/19/14/04/338191404.db2.gz IAELDTDAUUOGEG-UHFFFAOYSA-N 1 2 312.388 4.600 20 30 DJEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1c(F)cccc1Cl ZINC000439440815 338369459 /nfs/dbraw/zinc/36/94/59/338369459.db2.gz QQAKZAYZTAOZAG-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1c(F)cccc1Cl ZINC000439440816 338369574 /nfs/dbraw/zinc/36/95/74/338369574.db2.gz QQAKZAYZTAOZAG-SNVBAGLBSA-N 1 2 323.198 4.855 20 30 DJEDLO CC[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000447576295 338558315 /nfs/dbraw/zinc/55/83/15/338558315.db2.gz XRAALWHVMYOBMC-IBGZPJMESA-N 1 2 320.440 4.507 20 30 DJEDLO CC[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000447596615 338560813 /nfs/dbraw/zinc/56/08/13/338560813.db2.gz QJKIDBWVHNJVNM-LJQANCHMSA-N 1 2 320.440 4.507 20 30 DJEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455509483 338897168 /nfs/dbraw/zinc/89/71/68/338897168.db2.gz GNWOPLOSAPZTRG-UHFFFAOYSA-N 1 2 323.440 4.617 20 30 DJEDLO N#CC1(C[N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469516106 339292373 /nfs/dbraw/zinc/29/23/73/339292373.db2.gz XQUHVJIRGHEXFS-OAHLLOKOSA-N 1 2 308.347 4.536 20 30 DJEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469516106 339292374 /nfs/dbraw/zinc/29/23/74/339292374.db2.gz XQUHVJIRGHEXFS-OAHLLOKOSA-N 1 2 308.347 4.536 20 30 DJEDLO C=CCC(CC=C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000487714308 339761548 /nfs/dbraw/zinc/76/15/48/339761548.db2.gz KJIJFJYJPWNBBA-UHFFFAOYSA-N 1 2 322.408 4.889 20 30 DJEDLO C=CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)Cc1ccccc1 ZINC000505758874 340176896 /nfs/dbraw/zinc/17/68/96/340176896.db2.gz RXYNMDAKGYKOON-UHFFFAOYSA-N 1 2 318.420 4.838 20 30 DJEDLO C=CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)Cc1ccccc1 ZINC000505758874 340176897 /nfs/dbraw/zinc/17/68/97/340176897.db2.gz RXYNMDAKGYKOON-UHFFFAOYSA-N 1 2 318.420 4.838 20 30 DJEDLO C=CC[N@H+](Cc1cccs1)Cc1conc1Cc1ccccc1 ZINC000507012593 340205360 /nfs/dbraw/zinc/20/53/60/340205360.db2.gz JWRAUMBRCPRLAK-UHFFFAOYSA-N 1 2 324.449 4.515 20 30 DJEDLO C=CC[N@@H+](Cc1cccs1)Cc1conc1Cc1ccccc1 ZINC000507012593 340205361 /nfs/dbraw/zinc/20/53/61/340205361.db2.gz JWRAUMBRCPRLAK-UHFFFAOYSA-N 1 2 324.449 4.515 20 30 DJEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507229982 340214594 /nfs/dbraw/zinc/21/45/94/340214594.db2.gz NMOHBKKWFNHWFF-SNVBAGLBSA-N 1 2 309.196 4.651 20 30 DJEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507229982 340214595 /nfs/dbraw/zinc/21/45/95/340214595.db2.gz NMOHBKKWFNHWFF-SNVBAGLBSA-N 1 2 309.196 4.651 20 30 DJEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000303131768 340304288 /nfs/dbraw/zinc/30/42/88/340304288.db2.gz BHIHEPHKODTIDQ-GOSISDBHSA-N 1 2 314.791 4.688 20 30 DJEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000303131768 340304289 /nfs/dbraw/zinc/30/42/89/340304289.db2.gz BHIHEPHKODTIDQ-GOSISDBHSA-N 1 2 314.791 4.688 20 30 DJEDLO C=CC[N@@H+](Cc1cnc(C(C)C)s1)Cc1ccccc1F ZINC000511524300 340329307 /nfs/dbraw/zinc/32/93/07/340329307.db2.gz SECDUPIUXNASGP-UHFFFAOYSA-N 1 2 304.434 4.594 20 30 DJEDLO C=CC[N@H+](Cc1cnc(C(C)C)s1)Cc1ccccc1F ZINC000511524300 340329308 /nfs/dbraw/zinc/32/93/08/340329308.db2.gz SECDUPIUXNASGP-UHFFFAOYSA-N 1 2 304.434 4.594 20 30 DJEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000544600559 341088107 /nfs/dbraw/zinc/08/81/07/341088107.db2.gz ZGJKXOGCHZDLCS-SNVBAGLBSA-N 1 2 309.196 4.503 20 30 DJEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000547288983 341203830 /nfs/dbraw/zinc/20/38/30/341203830.db2.gz QWOGFJQNTILHJV-AWEZNQCLSA-N 1 2 322.330 4.747 20 30 DJEDLO CC#CC[N@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000550141258 341310895 /nfs/dbraw/zinc/31/08/95/341310895.db2.gz RJSOVRLJIHIBSU-NSHDSACASA-N 1 2 323.223 4.665 20 30 DJEDLO CC#CC[N@@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000550141258 341310896 /nfs/dbraw/zinc/31/08/96/341310896.db2.gz RJSOVRLJIHIBSU-NSHDSACASA-N 1 2 323.223 4.665 20 30 DJEDLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2C#N)c1 ZINC000551935068 341355478 /nfs/dbraw/zinc/35/54/78/341355478.db2.gz YHSUYFAUTQXQNF-UHFFFAOYSA-N 1 2 316.404 4.662 20 30 DJEDLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccccc2C#N)c1 ZINC000551935068 341355479 /nfs/dbraw/zinc/35/54/79/341355479.db2.gz YHSUYFAUTQXQNF-UHFFFAOYSA-N 1 2 316.404 4.662 20 30 DJEDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000287863312 131303776 /nfs/dbraw/zinc/30/37/76/131303776.db2.gz XMZZPNAUVOYACU-YVEFUNNKSA-N 1 2 314.816 4.719 20 30 DJEDLO C=CCCc1ccccc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000409868130 332061879 /nfs/dbraw/zinc/06/18/79/332061879.db2.gz MIZHDHDUIXMAID-UHFFFAOYSA-N 1 2 317.436 4.662 20 30 DJEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(Cl)c1Cl ZINC000428332847 332488868 /nfs/dbraw/zinc/48/88/68/332488868.db2.gz SSJJLTDBPKERBH-JTQLQIEISA-N 1 2 323.198 4.855 20 30 DJEDLO N#CCC[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccccc1 ZINC000164331223 332983400 /nfs/dbraw/zinc/98/34/00/332983400.db2.gz BVJSQLACJONVQP-CQSZACIVSA-N 1 2 305.303 4.557 20 30 DJEDLO CC(C)c1nc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cs1 ZINC000186427853 333219369 /nfs/dbraw/zinc/21/93/69/333219369.db2.gz OLBTUQYQLFRKRF-GOEBONIOSA-N 1 2 313.470 4.962 20 30 DJEDLO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c2cccc(F)c2[nH+]1 ZINC000301670325 336322298 /nfs/dbraw/zinc/32/22/98/336322298.db2.gz NQRKSCCCBYGXOO-CYBMUJFWSA-N 1 2 305.356 4.727 20 30 DJEDLO C=CCC[C@@H]([NH2+][C@H]1CCOc2c(F)ccc(F)c21)c1ccco1 ZINC000361187400 336743279 /nfs/dbraw/zinc/74/32/79/336743279.db2.gz IOBVKXSXRYJNSY-CABCVRRESA-N 1 2 319.351 4.679 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1oc(CCC)nc1C)c1ccc(F)c(F)c1 ZINC000428421437 338050700 /nfs/dbraw/zinc/05/07/00/338050700.db2.gz KEFJCQGPLJQXBU-SFHVURJKSA-N 1 2 320.383 4.621 20 30 DJEDLO C[N@H+](Cc1csc2ccccc12)Cc1cccc(F)c1C#N ZINC000428465181 338053459 /nfs/dbraw/zinc/05/34/59/338053459.db2.gz WPBHELBRWRGHNX-UHFFFAOYSA-N 1 2 310.397 4.544 20 30 DJEDLO C[N@@H+](Cc1csc2ccccc12)Cc1cccc(F)c1C#N ZINC000428465181 338053460 /nfs/dbraw/zinc/05/34/60/338053460.db2.gz WPBHELBRWRGHNX-UHFFFAOYSA-N 1 2 310.397 4.544 20 30 DJEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+](C)CC(C)(C)C#N ZINC000433311603 338191386 /nfs/dbraw/zinc/19/13/86/338191386.db2.gz MYDHTMUJNSDLLN-GFCCVEGCSA-N 1 2 317.820 4.538 20 30 DJEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CC(C)(C)C#N ZINC000433311603 338191387 /nfs/dbraw/zinc/19/13/87/338191387.db2.gz MYDHTMUJNSDLLN-GFCCVEGCSA-N 1 2 317.820 4.538 20 30 DJEDLO Cc1[nH]c2ccc(CSc3cccc(Cl)c3C#N)cc2[nH+]1 ZINC000467207591 339228364 /nfs/dbraw/zinc/22/83/64/339228364.db2.gz OWMKEGVZPKCRCK-UHFFFAOYSA-N 1 2 313.813 4.689 20 30 DJEDLO Cc1[nH]c2cc(CSc3cccc(Cl)c3C#N)ccc2[nH+]1 ZINC000467207591 339228365 /nfs/dbraw/zinc/22/83/65/339228365.db2.gz OWMKEGVZPKCRCK-UHFFFAOYSA-N 1 2 313.813 4.689 20 30 DJEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cn(C(C)C)nc1C ZINC000467440127 339238710 /nfs/dbraw/zinc/23/87/10/339238710.db2.gz ZDPNMYMVICZRQB-UHFFFAOYSA-N 1 2 323.893 4.676 20 30 DJEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cn(C(C)C)nc1C ZINC000467440127 339238711 /nfs/dbraw/zinc/23/87/11/339238711.db2.gz ZDPNMYMVICZRQB-UHFFFAOYSA-N 1 2 323.893 4.676 20 30 DJEDLO N#CC1(C[N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469516105 339292389 /nfs/dbraw/zinc/29/23/89/339292389.db2.gz XQUHVJIRGHEXFS-HNNXBMFYSA-N 1 2 308.347 4.536 20 30 DJEDLO N#CC1(C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469516105 339292390 /nfs/dbraw/zinc/29/23/90/339292390.db2.gz XQUHVJIRGHEXFS-HNNXBMFYSA-N 1 2 308.347 4.536 20 30 DJEDLO CC(C)c1ccc(-c2ncc(C[N@@H+](C)C[C@H](C)C#N)s2)cc1 ZINC000472423530 339371612 /nfs/dbraw/zinc/37/16/12/339371612.db2.gz DBIAWSGAEPVKMB-CQSZACIVSA-N 1 2 313.470 4.525 20 30 DJEDLO CC(C)c1ccc(-c2ncc(C[N@H+](C)C[C@H](C)C#N)s2)cc1 ZINC000472423530 339371613 /nfs/dbraw/zinc/37/16/13/339371613.db2.gz DBIAWSGAEPVKMB-CQSZACIVSA-N 1 2 313.470 4.525 20 30 DJEDLO C=C(C)[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000479411125 339533760 /nfs/dbraw/zinc/53/37/60/339533760.db2.gz QNJOEJCCJMKGSU-KRWDZBQOSA-N 1 2 309.306 4.650 20 30 DJEDLO N#CC1(C[N@@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)CC1 ZINC000501528175 340082648 /nfs/dbraw/zinc/08/26/48/340082648.db2.gz ONOKTCCVCNNIJC-LJQANCHMSA-N 1 2 322.839 4.743 20 30 DJEDLO N#CC1(C[N@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)CC1 ZINC000501528175 340082649 /nfs/dbraw/zinc/08/26/49/340082649.db2.gz ONOKTCCVCNNIJC-LJQANCHMSA-N 1 2 322.839 4.743 20 30 DJEDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512646673 340370796 /nfs/dbraw/zinc/37/07/96/340370796.db2.gz CDTBZLTUWUDNDF-JLTOFOAXSA-N 1 2 320.367 4.731 20 30 DJEDLO Cc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)c(C)[nH+]1 ZINC000538426671 340823385 /nfs/dbraw/zinc/82/33/85/340823385.db2.gz QSSKFEXOFFMMCZ-UHFFFAOYSA-N 1 2 305.425 4.515 20 30 DJEDLO CC#CC[N@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000550141257 341310911 /nfs/dbraw/zinc/31/09/11/341310911.db2.gz RJSOVRLJIHIBSU-LLVKDONJSA-N 1 2 323.223 4.665 20 30 DJEDLO CC#CC[N@@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000550141257 341310912 /nfs/dbraw/zinc/31/09/12/341310912.db2.gz RJSOVRLJIHIBSU-LLVKDONJSA-N 1 2 323.223 4.665 20 30 DJEDLO CC(C)[N@H+](CCC#N)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551804464 341352201 /nfs/dbraw/zinc/35/22/01/341352201.db2.gz AXZOEPOZVVXFFQ-UHFFFAOYSA-N 1 2 319.861 4.588 20 30 DJEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551804464 341352202 /nfs/dbraw/zinc/35/22/02/341352202.db2.gz AXZOEPOZVVXFFQ-UHFFFAOYSA-N 1 2 319.861 4.588 20 30 DJEDLO CC(C)(C#N)CCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000556284972 341500646 /nfs/dbraw/zinc/50/06/46/341500646.db2.gz PLBIGFFCPOLLJD-UHFFFAOYSA-N 1 2 323.440 4.595 20 30 DJEDLO C[C@@H](c1ccccc1Cl)[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000059333934 184137015 /nfs/dbraw/zinc/13/70/15/184137015.db2.gz MBSYEUZSULNIAR-AWEZNQCLSA-N 1 2 310.828 4.937 20 30 DJEDLO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000059333934 184137017 /nfs/dbraw/zinc/13/70/17/184137017.db2.gz MBSYEUZSULNIAR-AWEZNQCLSA-N 1 2 310.828 4.937 20 30 DJEDLO C=CCC[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccco1 ZINC000560525071 332351422 /nfs/dbraw/zinc/35/14/22/332351422.db2.gz GBMLYONHZMZPNR-KRWDZBQOSA-N 1 2 308.381 4.732 20 30 DJEDLO N#Cc1ccc(CNc2cccc([NH+]3CCCCCC3)c2)cc1 ZINC000151494555 332581213 /nfs/dbraw/zinc/58/12/13/332581213.db2.gz IEBQSHLHLDPUSD-UHFFFAOYSA-N 1 2 305.425 4.551 20 30 DJEDLO N#Cc1cnc(Nc2cccc(Oc3cc[nH+]cc3)c2)c(Cl)c1 ZINC000514085850 333251206 /nfs/dbraw/zinc/25/12/06/333251206.db2.gz XQGRYBQLTKUIKQ-UHFFFAOYSA-N 1 2 322.755 4.538 20 30 DJEDLO Cc1[nH+]c2ccccc2c(NC(=O)CC(C)(C)C#N)c1C(C)C ZINC000278695091 334099876 /nfs/dbraw/zinc/09/98/76/334099876.db2.gz FKMRIWFLGGPIRK-UHFFFAOYSA-N 1 2 309.413 4.545 20 30 DJEDLO CCCCCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000535837838 335792437 /nfs/dbraw/zinc/79/24/37/335792437.db2.gz AWMQOOQYUMAQNN-UHFFFAOYSA-N 1 2 318.424 4.551 20 30 DJEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2cccc(F)c2[nH+]1 ZINC000301654348 336321098 /nfs/dbraw/zinc/32/10/98/336321098.db2.gz HJEDXJIHQPFPRI-ZDUSSCGKSA-N 1 2 305.356 4.727 20 30 DJEDLO Cc1cc(N[C@H](C)c2cccc(C#N)c2)c2cccc(F)c2[nH+]1 ZINC000301654347 336321112 /nfs/dbraw/zinc/32/11/12/336321112.db2.gz HJEDXJIHQPFPRI-CYBMUJFWSA-N 1 2 305.356 4.727 20 30 DJEDLO Cc1ccc(CNc2ccccc2S[C@@H](C)CC#N)c(C)[nH+]1 ZINC000184448139 337197318 /nfs/dbraw/zinc/19/73/18/337197318.db2.gz WYUVEOTYMFKJSL-AWEZNQCLSA-N 1 2 311.454 4.705 20 30 DJEDLO CCCCn1cc[nH+]c1-c1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000463302905 339114214 /nfs/dbraw/zinc/11/42/14/339114214.db2.gz SYANZJGIVFALPY-WMZOPIPTSA-N 1 2 322.456 4.844 20 30 DJEDLO C=CC[N@H+](Cc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000502297589 340099115 /nfs/dbraw/zinc/09/91/15/340099115.db2.gz BRYGRLUZAJCYBM-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO C=CC[N@@H+](Cc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000502297589 340099116 /nfs/dbraw/zinc/09/91/16/340099116.db2.gz BRYGRLUZAJCYBM-UHFFFAOYSA-N 1 2 310.422 4.591 20 30 DJEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000303131769 340304224 /nfs/dbraw/zinc/30/42/24/340304224.db2.gz BHIHEPHKODTIDQ-SFHVURJKSA-N 1 2 314.791 4.688 20 30 DJEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000303131769 340304225 /nfs/dbraw/zinc/30/42/25/340304225.db2.gz BHIHEPHKODTIDQ-SFHVURJKSA-N 1 2 314.791 4.688 20 30 DJEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccc1Cl ZINC000512176008 340350939 /nfs/dbraw/zinc/35/09/39/340350939.db2.gz ADEQBQSAHCKNCC-CQSZACIVSA-N 1 2 319.832 4.565 20 30 DJEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccc1Cl ZINC000512176008 340350940 /nfs/dbraw/zinc/35/09/40/340350940.db2.gz ADEQBQSAHCKNCC-CQSZACIVSA-N 1 2 319.832 4.565 20 30 DJEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512628700 340369916 /nfs/dbraw/zinc/36/99/16/340369916.db2.gz GGBXNRFHBWYIJZ-MNOVXSKESA-N 1 2 320.770 4.902 20 30 DJEDLO C=CCC(CC=C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000132859098 341147545 /nfs/dbraw/zinc/14/75/45/341147545.db2.gz JTYMUKZTRBVURF-UHFFFAOYSA-N 1 2 308.381 4.581 20 30 DJEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000546579203 341173337 /nfs/dbraw/zinc/17/33/37/341173337.db2.gz KFJMILDAHKJVBT-AWEZNQCLSA-N 1 2 322.330 4.747 20 30 DJEDLO N#CCc1cc[nH+]c(NCc2cccc(Oc3ccccc3)c2)c1 ZINC000547340262 341207339 /nfs/dbraw/zinc/20/73/39/341207339.db2.gz WKJJCISMIGBCRJ-UHFFFAOYSA-N 1 2 315.376 4.552 20 30 DJEDLO C[N@H+](CCC#N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000552213719 341378808 /nfs/dbraw/zinc/37/88/08/341378808.db2.gz CKOMOQVDKLVVHD-UHFFFAOYSA-N 1 2 319.235 4.928 20 30 DJEDLO C[N@@H+](CCC#N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000552213719 341378809 /nfs/dbraw/zinc/37/88/09/341378809.db2.gz CKOMOQVDKLVVHD-UHFFFAOYSA-N 1 2 319.235 4.928 20 30 DJEDLO