smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1Cc2ccccc2Cc2ccccc2C1 ZINC000003631293 358510428 /nfs/dbraw/zinc/51/04/28/358510428.db2.gz VPUMUQABHHZXLE-UHFFFAOYSA-N 1 1 249.357 3.779 10 30 BHEEMO CCCC[N@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000003785166 487555349 /nfs/dbraw/zinc/55/53/49/487555349.db2.gz RBAZQAAINJJBRX-MRXNPFEDSA-N 1 1 242.366 3.538 10 30 BHEEMO C=CCC[N@H+]1CC[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000003788580 368882751 /nfs/dbraw/zinc/88/27/51/368882751.db2.gz PNJAQRXFMJSZTD-NVXWUHKLSA-N 1 1 241.378 3.614 10 30 BHEEMO CCCSC(Nc1ccc(C)cc1C)=[NH+]C ZINC000004347937 169334785 /nfs/dbraw/zinc/33/47/85/169334785.db2.gz KPUVPIZXFSQEDP-UHFFFAOYSA-N 1 1 236.384 3.844 10 30 BHEEMO C(=NNc1cc[nH+]cc1)c1cccc2ccccc12 ZINC000006829885 166229697 /nfs/dbraw/zinc/22/96/97/166229697.db2.gz QAQMWNUVIGEHRW-LDADJPATSA-N 1 1 247.301 3.681 10 30 BHEEMO CC[C@@H](C)[N@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738277 343642720 /nfs/dbraw/zinc/64/27/20/343642720.db2.gz TYYIXERJKMDZBL-CZUORRHYSA-N 1 1 242.366 3.536 10 30 BHEEMO CC[C@H](C)[N@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738278 171317440 /nfs/dbraw/zinc/31/74/40/171317440.db2.gz TYYIXERJKMDZBL-XJKSGUPXSA-N 1 1 242.366 3.536 10 30 BHEEMO N#CC1([NH3+])CCCCCCCCCCC1 ZINC000019255369 181029787 /nfs/dbraw/zinc/02/97/87/181029787.db2.gz KAZRCAOXQUJRMK-UHFFFAOYSA-N 1 1 208.349 3.512 10 30 BHEEMO C[C@@H]([NH2+]CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000020199706 384596900 /nfs/dbraw/zinc/59/69/00/384596900.db2.gz VGLFKKBTWJRPBJ-GFCCVEGCSA-N 1 1 230.355 3.548 10 30 BHEEMO C[C@H]([NH2+]CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000020199708 384595793 /nfs/dbraw/zinc/59/57/93/384595793.db2.gz VGLFKKBTWJRPBJ-LBPRGKRZSA-N 1 1 230.355 3.548 10 30 BHEEMO C[C@@H]([NH2+]CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000020200011 134223708 /nfs/dbraw/zinc/22/37/08/134223708.db2.gz FAZLPUFOLHXEEM-MRVPVSSYSA-N 1 1 243.137 3.558 10 30 BHEEMO C[C@H]([NH2+]CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000020200013 134223531 /nfs/dbraw/zinc/22/35/31/134223531.db2.gz FAZLPUFOLHXEEM-QMMMGPOBSA-N 1 1 243.137 3.558 10 30 BHEEMO C=CC[NH2+]C1c2ccccc2Oc2ccccc21 ZINC000028231661 166399397 /nfs/dbraw/zinc/39/93/97/166399397.db2.gz TUGDGXHNPTXMSW-UHFFFAOYSA-N 1 1 237.302 3.657 10 30 BHEEMO C=CC[N@H+](C)C1(c2ccccc2)CCCCC1 ZINC000028260467 166320124 /nfs/dbraw/zinc/32/01/24/166320124.db2.gz OACOKDOAVXIOFK-UHFFFAOYSA-N 1 1 229.367 3.964 10 30 BHEEMO Clc1ccc(/C=[NH+]/Cc2ccccc2)cc1 ZINC000032163525 180578291 /nfs/dbraw/zinc/57/82/91/180578291.db2.gz BZBIJDZJMFLHDK-LFIBNONCSA-N 1 1 229.710 3.959 10 30 BHEEMO C=C1C[N@@H+](Cc2ccccc2)Cc2ccccc21 ZINC000034483316 345835340 /nfs/dbraw/zinc/83/53/40/345835340.db2.gz QCZIPSXLARXEQO-UHFFFAOYSA-N 1 1 235.330 3.716 10 30 BHEEMO C=CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789752 387373470 /nfs/dbraw/zinc/37/34/70/387373470.db2.gz VEZKMPNGQKCFKB-ZETCQYMHSA-N 1 1 248.128 3.969 10 30 BHEEMO C=CC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789755 387373887 /nfs/dbraw/zinc/37/38/87/387373887.db2.gz VEZKMPNGQKCFKB-SSDOTTSWSA-N 1 1 248.128 3.969 10 30 BHEEMO CC(C)(C)/[NH+]=C/c1ccc(C(F)(F)F)cc1 ZINC000035923883 342808346 /nfs/dbraw/zinc/80/83/46/342808346.db2.gz QXJSKXGIXWWSMI-LZYBPNLTSA-N 1 1 229.245 3.923 10 30 BHEEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCCCC[C@@H]1C#N ZINC000037147253 171312315 /nfs/dbraw/zinc/31/23/15/171312315.db2.gz OZXQDAARMUUENE-BFHYXJOUSA-N 1 1 222.376 3.579 10 30 BHEEMO C[C@@H]1CC(C)(C)C[C@@](C#N)([NH+]2CCCCC2)C1 ZINC000037355650 176052070 /nfs/dbraw/zinc/05/20/70/176052070.db2.gz TYOSTMFBIYBMLF-HIFRSBDPSA-N 1 1 234.387 3.581 10 30 BHEEMO C[C@H]1CC(C)(C)C[C@@](C#N)([NH+]2CCCCC2)C1 ZINC000037355651 177063827 /nfs/dbraw/zinc/06/38/27/177063827.db2.gz TYOSTMFBIYBMLF-ZFWWWQNUSA-N 1 1 234.387 3.581 10 30 BHEEMO C[C@@H]1CC(C)(C)C[C@](C#N)([NH+]2CCCCC2)C1 ZINC000037355652 176052121 /nfs/dbraw/zinc/05/21/21/176052121.db2.gz TYOSTMFBIYBMLF-UKRRQHHQSA-N 1 1 234.387 3.581 10 30 BHEEMO C[C@H]1CC(C)(C)C[C@](C#N)([NH+]2CCCCC2)C1 ZINC000037355653 177063983 /nfs/dbraw/zinc/06/39/83/177063983.db2.gz TYOSTMFBIYBMLF-DZGCQCFKSA-N 1 1 234.387 3.581 10 30 BHEEMO C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000037910811 176110320 /nfs/dbraw/zinc/11/03/20/176110320.db2.gz PBLNWGRNKHSGLB-KBUPBQIOSA-N 1 1 248.414 3.825 10 30 BHEEMO C[N@@H+](CC1CC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000037925554 188114802 /nfs/dbraw/zinc/11/48/02/188114802.db2.gz INWBHBSMZZKMNA-RBSFLKMASA-N 1 1 248.414 3.683 10 30 BHEEMO C[N@@H+](CC1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N ZINC000037925557 187260684 /nfs/dbraw/zinc/26/06/84/187260684.db2.gz INWBHBSMZZKMNA-SOUVJXGZSA-N 1 1 248.414 3.683 10 30 BHEEMO CC(C)C[NH2+][C@]1(C#N)CCCC[C@@H]1C(C)(C)C ZINC000037939123 167014675 /nfs/dbraw/zinc/01/46/75/167014675.db2.gz QUWLPNDCYZBSPG-HIFRSBDPSA-N 1 1 236.403 3.731 10 30 BHEEMO CC(C)C[NH2+][C@@]1(C#N)CCCC[C@@H]1C(C)(C)C ZINC000037939124 167012048 /nfs/dbraw/zinc/01/20/48/167012048.db2.gz QUWLPNDCYZBSPG-UKRRQHHQSA-N 1 1 236.403 3.731 10 30 BHEEMO CC(C)C[NH2+][C@]1(C#N)CCCC[C@H]1C(C)(C)C ZINC000037939125 167014811 /nfs/dbraw/zinc/01/48/11/167014811.db2.gz QUWLPNDCYZBSPG-ZFWWWQNUSA-N 1 1 236.403 3.731 10 30 BHEEMO CC(C)C[NH2+][C@@]1(C#N)CCCC[C@H]1C(C)(C)C ZINC000037939126 167011243 /nfs/dbraw/zinc/01/12/43/167011243.db2.gz QUWLPNDCYZBSPG-DZGCQCFKSA-N 1 1 236.403 3.731 10 30 BHEEMO CC(C)C[NH2+][C@@]1(C#N)C[C@H](C)CC[C@@H]1C(C)C ZINC000037939154 167011035 /nfs/dbraw/zinc/01/10/35/167011035.db2.gz XHNBMFMCSIUGEC-RBSFLKMASA-N 1 1 236.403 3.587 10 30 BHEEMO CC(C)C[NH2+][C@@]1(C#N)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037939155 167012337 /nfs/dbraw/zinc/01/23/37/167012337.db2.gz XHNBMFMCSIUGEC-RRFJBIMHSA-N 1 1 236.403 3.587 10 30 BHEEMO CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)[NH2+]C1CCCC1 ZINC000037968428 188116198 /nfs/dbraw/zinc/11/61/98/188116198.db2.gz CPPFAXIYYWWYFS-FVQBIDKESA-N 1 1 248.414 3.873 10 30 BHEEMO CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)[NH2+]C1CCCC1 ZINC000037968430 188289005 /nfs/dbraw/zinc/28/90/05/188289005.db2.gz CPPFAXIYYWWYFS-VNQPRFMTSA-N 1 1 248.414 3.873 10 30 BHEEMO CC[C@@](C#N)([NH2+]C1CCCCCC1)C(C)C ZINC000037969960 171162780 /nfs/dbraw/zinc/16/27/80/171162780.db2.gz UIJUWSBMULPQIO-AWEZNQCLSA-N 1 1 222.376 3.627 10 30 BHEEMO CC[C@H](C)[C@@](C)(C#N)[NH2+]C1CCCCCC1 ZINC000037969964 171381748 /nfs/dbraw/zinc/38/17/48/171381748.db2.gz ZLSDMSHGGLQHRB-GXTWGEPZSA-N 1 1 222.376 3.627 10 30 BHEEMO C[C@@H]1CCCC[C@@]1(C#N)[NH2+]C1CCCCCC1 ZINC000037970041 176083542 /nfs/dbraw/zinc/08/35/42/176083542.db2.gz HGQGKZZZAYQFMD-HIFRSBDPSA-N 1 1 234.387 3.771 10 30 BHEEMO C[C@H]1CCCC[C@@]1(C#N)[NH2+]C1CCCCCC1 ZINC000037970042 177084177 /nfs/dbraw/zinc/08/41/77/177084177.db2.gz HGQGKZZZAYQFMD-ZFWWWQNUSA-N 1 1 234.387 3.771 10 30 BHEEMO C[C@@H]1CCCC[C@]1(C#N)[NH2+]C1CCCCCC1 ZINC000037970043 176090593 /nfs/dbraw/zinc/09/05/93/176090593.db2.gz HGQGKZZZAYQFMD-UKRRQHHQSA-N 1 1 234.387 3.771 10 30 BHEEMO C[C@H]1CCCC[C@]1(C#N)[NH2+]C1CCCCCC1 ZINC000037970044 177090450 /nfs/dbraw/zinc/09/04/50/177090450.db2.gz HGQGKZZZAYQFMD-DZGCQCFKSA-N 1 1 234.387 3.771 10 30 BHEEMO C[C@@H]1CCC[C@@](C#N)([NH2+]C2CCCCCC2)C1 ZINC000037970055 176132907 /nfs/dbraw/zinc/13/29/07/176132907.db2.gz OACKNLTZWSMCRQ-UKRRQHHQSA-N 1 1 234.387 3.771 10 30 BHEEMO C[C@H]1CCC[C@@](C#N)([NH2+]C2CCCCCC2)C1 ZINC000037970056 177127829 /nfs/dbraw/zinc/12/78/29/177127829.db2.gz OACKNLTZWSMCRQ-DZGCQCFKSA-N 1 1 234.387 3.771 10 30 BHEEMO C[C@@H]1CCC[C@](C#N)([NH2+]C2CCCCCC2)C1 ZINC000037970057 176151654 /nfs/dbraw/zinc/15/16/54/176151654.db2.gz OACKNLTZWSMCRQ-HIFRSBDPSA-N 1 1 234.387 3.771 10 30 BHEEMO C[C@H]1CCC[C@](C#N)([NH2+]C2CCCCCC2)C1 ZINC000037970058 177143861 /nfs/dbraw/zinc/14/38/61/177143861.db2.gz OACKNLTZWSMCRQ-ZFWWWQNUSA-N 1 1 234.387 3.771 10 30 BHEEMO N#CC1([NH2+]C2CCCCCC2)CCCCCC1 ZINC000037970119 181030186 /nfs/dbraw/zinc/03/01/86/181030186.db2.gz OTDSJCTZAVJXGK-UHFFFAOYSA-N 1 1 234.387 3.915 10 30 BHEEMO CC[C@H](C)[NH2+][C@]1(C#N)CCCC[C@@H]1C(C)(C)C ZINC000038064269 171349193 /nfs/dbraw/zinc/34/91/93/171349193.db2.gz HPWKZULCYHETSB-GUTXKFCHSA-N 1 1 236.403 3.873 10 30 BHEEMO CC[C@H](C)[NH2+][C@@]1(C#N)CCCC[C@@H]1C(C)(C)C ZINC000038064271 171347252 /nfs/dbraw/zinc/34/72/52/171347252.db2.gz HPWKZULCYHETSB-GZBFAFLISA-N 1 1 236.403 3.873 10 30 BHEEMO CC[C@H](C)[NH2+][C@]1(C#N)C[C@H](C)CC[C@@H]1C(C)C ZINC000038064323 171348545 /nfs/dbraw/zinc/34/85/45/171348545.db2.gz JCPDAFVZHSFNBU-BARDWOONSA-N 1 1 236.403 3.729 10 30 BHEEMO CCC1CCC(C#N)([NH+]2CCCCCC2)CC1 ZINC000038086236 188290487 /nfs/dbraw/zinc/29/04/87/188290487.db2.gz ZOMYDHUOLFLDRO-UHFFFAOYSA-N 1 1 234.387 3.725 10 30 BHEEMO CCCCCCCCCCCC[N@@H+](C)CCO ZINC000038158616 358124191 /nfs/dbraw/zinc/12/41/91/358124191.db2.gz JOLMGYIWICXNDT-UHFFFAOYSA-N 1 1 243.435 3.831 10 30 BHEEMO N#Cc1ccccc1Nc1cc[nH+]c2ccccc12 ZINC000041055548 181149003 /nfs/dbraw/zinc/14/90/03/181149003.db2.gz SYUSLCQDOUKJNO-UHFFFAOYSA-N 1 1 245.285 3.850 10 30 BHEEMO CC(C)[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]1C#N ZINC000042518285 188294271 /nfs/dbraw/zinc/29/42/71/188294271.db2.gz JGMBEEQCWYUHJU-TZMCWYRMSA-N 1 1 248.395 3.651 10 30 BHEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](CC(C)C)C2CC2)C1 ZINC000042557058 171046599 /nfs/dbraw/zinc/04/65/99/171046599.db2.gz QZXXWZDBJQPIEW-IIAWOOMASA-N 1 1 248.414 3.825 10 30 BHEEMO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](CC(C)C)C2CC2)C1 ZINC000042557061 171027036 /nfs/dbraw/zinc/02/70/36/171027036.db2.gz QZXXWZDBJQPIEW-IJEWVQPXSA-N 1 1 248.414 3.825 10 30 BHEEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000042582573 188120810 /nfs/dbraw/zinc/12/08/10/188120810.db2.gz UZUJZMVBTUHZPC-CBBWQLFWSA-N 1 1 236.403 3.681 10 30 BHEEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCCCC[C@@H]1C#N ZINC000042582913 188293616 /nfs/dbraw/zinc/29/36/16/188293616.db2.gz MFQFDBQEIVDWQO-CABCVRRESA-N 1 1 234.387 3.579 10 30 BHEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](CC2CC2)C(C)C)C1 ZINC000042582943 171047074 /nfs/dbraw/zinc/04/70/74/171047074.db2.gz BXBOHNHIRNUMII-FVQBIDKESA-N 1 1 248.414 3.825 10 30 BHEEMO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](CC2CC2)C(C)C)C1 ZINC000042582950 171026658 /nfs/dbraw/zinc/02/66/58/171026658.db2.gz BXBOHNHIRNUMII-VNQPRFMTSA-N 1 1 248.414 3.825 10 30 BHEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607502 176079077 /nfs/dbraw/zinc/07/90/77/176079077.db2.gz ALOOHTPEFYPPRU-LVQVYYBASA-N 1 1 248.414 3.969 10 30 BHEEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607503 177080373 /nfs/dbraw/zinc/08/03/73/177080373.db2.gz ALOOHTPEFYPPRU-XUWVNRHRSA-N 1 1 248.414 3.969 10 30 BHEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607504 176086521 /nfs/dbraw/zinc/08/65/21/176086521.db2.gz ALOOHTPEFYPPRU-KLHDSHLOSA-N 1 1 248.414 3.969 10 30 BHEEMO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607505 177087068 /nfs/dbraw/zinc/08/70/68/177087068.db2.gz ALOOHTPEFYPPRU-ZJIFWQFVSA-N 1 1 248.414 3.969 10 30 BHEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000042607518 177087333 /nfs/dbraw/zinc/08/73/33/177087333.db2.gz QMICHJPIXAUHAQ-YIDVYQOGSA-N 1 1 248.414 3.825 10 30 BHEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607534 176079205 /nfs/dbraw/zinc/07/92/05/176079205.db2.gz JIHRAIKGSMPBSF-APIJFGDWSA-N 1 1 234.387 3.579 10 30 BHEEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607535 177080506 /nfs/dbraw/zinc/08/05/06/177080506.db2.gz JIHRAIKGSMPBSF-LJISPDSOSA-N 1 1 234.387 3.579 10 30 BHEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607536 176086628 /nfs/dbraw/zinc/08/66/28/176086628.db2.gz JIHRAIKGSMPBSF-KBUPBQIOSA-N 1 1 234.387 3.579 10 30 BHEEMO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607537 177086578 /nfs/dbraw/zinc/08/65/78/177086578.db2.gz JIHRAIKGSMPBSF-GBJTYRQASA-N 1 1 234.387 3.579 10 30 BHEEMO C[C@H]([N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C#N)C(C)(C)C ZINC000042763987 177196657 /nfs/dbraw/zinc/19/66/57/177196657.db2.gz BHQJOOLCJJWANU-IGQOVBAYSA-N 1 1 236.403 3.681 10 30 BHEEMO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)C#N)cc1 ZINC000047979538 343569713 /nfs/dbraw/zinc/56/97/13/343569713.db2.gz JDXICCZKTHPKAI-QWHCGFSZSA-N 1 1 230.355 3.620 10 30 BHEEMO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)C#N)cc1 ZINC000047979540 343569755 /nfs/dbraw/zinc/56/97/55/343569755.db2.gz JDXICCZKTHPKAI-STQMWFEESA-N 1 1 230.355 3.620 10 30 BHEEMO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)C#N)cc1 ZINC000047979541 343569496 /nfs/dbraw/zinc/56/94/96/343569496.db2.gz JDXICCZKTHPKAI-CHWSQXEVSA-N 1 1 230.355 3.620 10 30 BHEEMO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)C#N)cc1 ZINC000047979543 343569694 /nfs/dbraw/zinc/56/96/94/343569694.db2.gz JDXICCZKTHPKAI-OLZOCXBDSA-N 1 1 230.355 3.620 10 30 BHEEMO C[C@@H](c1cccs1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000049726799 176033327 /nfs/dbraw/zinc/03/33/27/176033327.db2.gz FTZMXEFMLCNIRR-YNEHKIRRSA-N 1 1 248.395 3.823 10 30 BHEEMO C[C@@H](c1cccs1)[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000049726799 176033326 /nfs/dbraw/zinc/03/33/26/176033326.db2.gz FTZMXEFMLCNIRR-YNEHKIRRSA-N 1 1 248.395 3.823 10 30 BHEEMO C[C@H](c1cccs1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000049726801 177049079 /nfs/dbraw/zinc/04/90/79/177049079.db2.gz FTZMXEFMLCNIRR-JHJVBQTASA-N 1 1 248.395 3.823 10 30 BHEEMO C[C@H](c1cccs1)[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000049726801 177049077 /nfs/dbraw/zinc/04/90/77/177049077.db2.gz FTZMXEFMLCNIRR-JHJVBQTASA-N 1 1 248.395 3.823 10 30 BHEEMO CCCC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CC ZINC000049800987 168821411 /nfs/dbraw/zinc/82/14/11/168821411.db2.gz PAOXEULBXRPPJE-CQSZACIVSA-N 1 1 244.382 3.959 10 30 BHEEMO CCC(C=O)(CC)C[N@@H+](C)C1CCCCCC1 ZINC000051177264 168311777 /nfs/dbraw/zinc/31/17/77/168311777.db2.gz FJYRGMSQBSHNEW-UHFFFAOYSA-N 1 1 239.403 3.646 10 30 BHEEMO C[C@H]([N@@H+](C)CC1(C=O)CCCCC1)C(C)(C)C ZINC000051177813 176743131 /nfs/dbraw/zinc/74/31/31/176743131.db2.gz LOCWBMDPLRJGGT-ZDUSSCGKSA-N 1 1 239.403 3.502 10 30 BHEEMO CCC(C=O)(CC)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000051178176 168310790 /nfs/dbraw/zinc/31/07/90/168310790.db2.gz QWLYLEXWXVSFKD-UONOGXRCSA-N 1 1 239.403 3.502 10 30 BHEEMO CCC(C=O)(CC)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000051178178 168311002 /nfs/dbraw/zinc/31/10/02/168311002.db2.gz QWLYLEXWXVSFKD-KBPBESRZSA-N 1 1 239.403 3.502 10 30 BHEEMO CCC(C=O)(CC)C[N@@H+](C)C1CCC(C)CC1 ZINC000051179651 168311548 /nfs/dbraw/zinc/31/15/48/168311548.db2.gz AFYXOPDGSOYQCO-UHFFFAOYSA-N 1 1 239.403 3.502 10 30 BHEEMO CCC(C=O)(CC)C[N@@H+](C)CC1CCCCC1 ZINC000051204634 168311527 /nfs/dbraw/zinc/31/15/27/168311527.db2.gz CXGQJIOYMMXNSZ-UHFFFAOYSA-N 1 1 239.403 3.504 10 30 BHEEMO C[C@@H]1CC[N@H+]([C@@H]2CCCCC[C@@H]2C#N)[C@H](C)C1 ZINC000051731881 176180806 /nfs/dbraw/zinc/18/08/06/176180806.db2.gz JQJJNDUBORCWAA-KBUPBQIOSA-N 1 1 234.387 3.579 10 30 BHEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+]2CC[C@H](C)C[C@@H]2C)C1 ZINC000051731909 171046547 /nfs/dbraw/zinc/04/65/47/171046547.db2.gz XQVPKNYNSMQYBW-AALSBFMBSA-N 1 1 248.414 3.825 10 30 BHEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824529 181068633 /nfs/dbraw/zinc/06/86/33/181068633.db2.gz YRXCFWPRFMVAEF-TZMCWYRMSA-N 1 1 248.757 3.512 10 30 BHEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824530 181067794 /nfs/dbraw/zinc/06/77/94/181067794.db2.gz YRXCFWPRFMVAEF-OCCSQVGLSA-N 1 1 248.757 3.512 10 30 BHEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824531 181059121 /nfs/dbraw/zinc/05/91/21/181059121.db2.gz YRXCFWPRFMVAEF-GXTWGEPZSA-N 1 1 248.757 3.512 10 30 BHEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824532 181058515 /nfs/dbraw/zinc/05/85/15/181058515.db2.gz YRXCFWPRFMVAEF-JSGCOSHPSA-N 1 1 248.757 3.512 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cccc(Cl)c1 ZINC000054825993 384742777 /nfs/dbraw/zinc/74/27/77/384742777.db2.gz DXGPMSFQICXYKH-ZKYQVNSYSA-N 1 1 248.757 3.683 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cccc(Cl)c1 ZINC000054825995 384745118 /nfs/dbraw/zinc/74/51/18/384745118.db2.gz DXGPMSFQICXYKH-SUHUHFCYSA-N 1 1 248.757 3.683 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000054826827 369100600 /nfs/dbraw/zinc/10/06/00/369100600.db2.gz IFAOMWUSAAFWRC-NJZAAPMLSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000054826832 369101258 /nfs/dbraw/zinc/10/12/58/369101258.db2.gz IFAOMWUSAAFWRC-LNSITVRQSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000054826920 384744450 /nfs/dbraw/zinc/74/44/50/384744450.db2.gz STJHGAGFUYQTRG-ZKYQVNSYSA-N 1 1 248.757 3.683 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000054826924 322857737 /nfs/dbraw/zinc/85/77/37/322857737.db2.gz STJHGAGFUYQTRG-SUHUHFCYSA-N 1 1 248.757 3.683 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1F ZINC000054826984 411528465 /nfs/dbraw/zinc/52/84/65/411528465.db2.gz WJTYVTOQYYNMIA-YWPYICTPSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1F ZINC000054826988 411528000 /nfs/dbraw/zinc/52/80/00/411528000.db2.gz WJTYVTOQYYNMIA-ZOWXZIJZSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1cccc(F)c1 ZINC000054827007 369101290 /nfs/dbraw/zinc/10/12/90/369101290.db2.gz MDQVNCIOYLEHDY-NJZAAPMLSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1cccc(F)c1 ZINC000054827011 369101275 /nfs/dbraw/zinc/10/12/75/369101275.db2.gz MDQVNCIOYLEHDY-LNSITVRQSA-N 1 1 246.329 3.559 10 30 BHEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829984 369101605 /nfs/dbraw/zinc/10/16/05/369101605.db2.gz AICVJMCPTKEGNG-TZMCWYRMSA-N 1 1 248.757 3.512 10 30 BHEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829987 369101584 /nfs/dbraw/zinc/10/15/84/369101584.db2.gz AICVJMCPTKEGNG-OCCSQVGLSA-N 1 1 248.757 3.512 10 30 BHEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829992 369101806 /nfs/dbraw/zinc/10/18/06/369101806.db2.gz AICVJMCPTKEGNG-GXTWGEPZSA-N 1 1 248.757 3.512 10 30 BHEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829995 369101722 /nfs/dbraw/zinc/10/17/22/369101722.db2.gz AICVJMCPTKEGNG-JSGCOSHPSA-N 1 1 248.757 3.512 10 30 BHEEMO CCC[N@@H+](C(C)C)[C@@H](CC#N)c1ccccc1 ZINC000055020079 169049497 /nfs/dbraw/zinc/04/94/97/169049497.db2.gz PJPHAZLXUYOJIF-HNNXBMFYSA-N 1 1 230.355 3.762 10 30 BHEEMO CCC[N@@H+](C(C)C)[C@H](CC#N)c1ccccc1 ZINC000055020081 169048820 /nfs/dbraw/zinc/04/88/20/169048820.db2.gz PJPHAZLXUYOJIF-OAHLLOKOSA-N 1 1 230.355 3.762 10 30 BHEEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CC#N)c1ccccc1 ZINC000055020186 169366298 /nfs/dbraw/zinc/36/62/98/169366298.db2.gz LOUYDODYWVORLC-HIFRSBDPSA-N 1 1 230.355 3.762 10 30 BHEEMO C[C@@H]1CC[N@@H+]([C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000055020703 176180547 /nfs/dbraw/zinc/18/05/47/176180547.db2.gz GKYDASHXCJKFSC-FMKPAKJESA-N 1 1 242.366 3.762 10 30 BHEEMO CCCCCCC[C@@H](CN)[N@@H+](CC)[C@@H](C)CC ZINC000059174210 168657250 /nfs/dbraw/zinc/65/72/50/168657250.db2.gz QCZJXSHQWJTUNO-GJZGRUSLSA-N 1 1 242.451 3.795 10 30 BHEEMO C[C@@H](CC#N)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014205 134394340 /nfs/dbraw/zinc/39/43/40/134394340.db2.gz ALLLEJORADJKAI-QWRGUYRKSA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@@H](CC#N)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014205 134394338 /nfs/dbraw/zinc/39/43/38/134394338.db2.gz ALLLEJORADJKAI-QWRGUYRKSA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H](CC#N)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014206 134394414 /nfs/dbraw/zinc/39/44/14/134394414.db2.gz ALLLEJORADJKAI-MNOVXSKESA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H](CC#N)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014206 134394413 /nfs/dbraw/zinc/39/44/13/134394413.db2.gz ALLLEJORADJKAI-MNOVXSKESA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H](CC#N)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014254 176018344 /nfs/dbraw/zinc/01/83/44/176018344.db2.gz PVBLNMHWRPDRJC-MNOVXSKESA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H](CC#N)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014254 176018342 /nfs/dbraw/zinc/01/83/42/176018342.db2.gz PVBLNMHWRPDRJC-MNOVXSKESA-N 1 1 236.746 3.635 10 30 BHEEMO C=C(C)C[N@H+](CC)Cc1ccc2ccccc2n1 ZINC000072817406 325177128 /nfs/dbraw/zinc/17/71/28/325177128.db2.gz QJUNRGKJJOEFSP-UHFFFAOYSA-N 1 1 240.350 3.633 10 30 BHEEMO C=CCCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000076734294 353340532 /nfs/dbraw/zinc/34/05/32/353340532.db2.gz MXXMCFTZACARTE-UHFFFAOYSA-N 1 1 240.350 3.633 10 30 BHEEMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000093335477 360232471 /nfs/dbraw/zinc/23/24/71/360232471.db2.gz SCXYAKBEJWJJJZ-CYBMUJFWSA-N 1 1 246.354 3.746 10 30 BHEEMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000093335478 360233202 /nfs/dbraw/zinc/23/32/02/360233202.db2.gz SCXYAKBEJWJJJZ-ZDUSSCGKSA-N 1 1 246.354 3.746 10 30 BHEEMO SCCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095079032 188145305 /nfs/dbraw/zinc/14/53/05/188145305.db2.gz UTOFYKGMUUXFQM-OAHLLOKOSA-N 1 1 249.423 3.751 10 30 BHEEMO SCCC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095079033 188318751 /nfs/dbraw/zinc/31/87/51/188318751.db2.gz UTOFYKGMUUXFQM-HNNXBMFYSA-N 1 1 249.423 3.751 10 30 BHEEMO SCCC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095079036 188145175 /nfs/dbraw/zinc/14/51/75/188145175.db2.gz DZTWUGYMPBJNLO-OAHLLOKOSA-N 1 1 249.423 3.609 10 30 BHEEMO SCCC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095079037 191053631 /nfs/dbraw/zinc/05/36/31/191053631.db2.gz DZTWUGYMPBJNLO-HNNXBMFYSA-N 1 1 249.423 3.609 10 30 BHEEMO C#CC[N@H+](C)[C@H](C)CCCCCCCC ZINC000095544088 166160820 /nfs/dbraw/zinc/16/08/20/166160820.db2.gz SYTFCSLHNXBWJU-CQSZACIVSA-N 1 1 209.377 3.691 10 30 BHEEMO C#CC[N@H+](C)[C@@H](C)CCCCCCCC ZINC000095544089 188320054 /nfs/dbraw/zinc/32/00/54/188320054.db2.gz SYTFCSLHNXBWJU-AWEZNQCLSA-N 1 1 209.377 3.691 10 30 BHEEMO CCC[C@@](C)(C=O)C[N@@H+](CC)CC(CC)CC ZINC000104010047 169446168 /nfs/dbraw/zinc/44/61/68/169446168.db2.gz MNBQESNXIUDMQU-OAHLLOKOSA-N 1 1 241.419 3.750 10 30 BHEEMO CCCCCCCCCC[N@@H+](C)CCC#N ZINC000104087547 388582191 /nfs/dbraw/zinc/58/21/91/388582191.db2.gz PKVMKVDSGHQMBR-UHFFFAOYSA-N 1 1 224.392 3.973 10 30 BHEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+]2CCC[C@H](C)CC2)C1 ZINC000104151551 171046505 /nfs/dbraw/zinc/04/65/05/171046505.db2.gz HHWXFRIDBDXXCF-ZJIFWQFVSA-N 1 1 248.414 3.827 10 30 BHEEMO CCCCCCC[N@H+]1CCc2c(N)cccc2C1 ZINC000104790535 191066169 /nfs/dbraw/zinc/06/61/69/191066169.db2.gz YHYNOBDFOAUOTO-UHFFFAOYSA-N 1 1 246.398 3.597 10 30 BHEEMO CCCCCCC[NH2+]Cc1cccc(F)c1O ZINC000106222957 588260602 /nfs/dbraw/zinc/26/06/02/588260602.db2.gz OFYJAILTTWSSDA-UHFFFAOYSA-N 1 1 239.334 3.591 10 30 BHEEMO CCCCCCCC[N@H+]1CCC[C@@H]1CCCO ZINC000108972192 712610837 /nfs/dbraw/zinc/61/08/37/712610837.db2.gz NPEJCCWQQHOOIO-OAHLLOKOSA-N 1 1 241.419 3.584 10 30 BHEEMO CCCCCCCC[N@H+]1CCC[C@H]1CCCO ZINC000108972194 632505128 /nfs/dbraw/zinc/50/51/28/632505128.db2.gz NPEJCCWQQHOOIO-HNNXBMFYSA-N 1 1 241.419 3.584 10 30 BHEEMO C=C(C)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124649165 371213036 /nfs/dbraw/zinc/21/30/36/371213036.db2.gz WWVNCLRMFWIVCZ-ZDUSSCGKSA-N 1 1 219.328 3.691 10 30 BHEEMO C=C(C)C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124649380 371212937 /nfs/dbraw/zinc/21/29/37/371212937.db2.gz WWVNCLRMFWIVCZ-CYBMUJFWSA-N 1 1 219.328 3.691 10 30 BHEEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCCC#N)o1 ZINC000124891879 345056868 /nfs/dbraw/zinc/05/68/68/345056868.db2.gz SIXAIBLRXKJOAM-AWEZNQCLSA-N 1 1 246.354 3.673 10 30 BHEEMO CCc1ccc([C@H]2CCCC[N@H+]2CCCC#N)o1 ZINC000124892088 345056693 /nfs/dbraw/zinc/05/66/93/345056693.db2.gz SIXAIBLRXKJOAM-CQSZACIVSA-N 1 1 246.354 3.673 10 30 BHEEMO CC[C@H](C)[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000147540795 342777399 /nfs/dbraw/zinc/77/73/99/342777399.db2.gz TYYIXERJKMDZBL-BBRMVZONSA-N 1 1 242.366 3.536 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)c1cccc(F)c1 ZINC000147749072 488055363 /nfs/dbraw/zinc/05/53/63/488055363.db2.gz MDQVNCIOYLEHDY-CORIIIEPSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)c1cccc(F)c1 ZINC000147749278 488055296 /nfs/dbraw/zinc/05/52/96/488055296.db2.gz MDQVNCIOYLEHDY-WHOFXGATSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1cccc(Cl)c1 ZINC000147922491 201054984 /nfs/dbraw/zinc/05/49/84/201054984.db2.gz DXGPMSFQICXYKH-VHRBIJSZSA-N 1 1 248.757 3.683 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cccc(Cl)c1 ZINC000147922698 201054331 /nfs/dbraw/zinc/05/43/31/201054331.db2.gz DXGPMSFQICXYKH-JKOKRWQUSA-N 1 1 248.757 3.683 10 30 BHEEMO CC#CCC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000155778816 326211389 /nfs/dbraw/zinc/21/13/89/326211389.db2.gz OUMUYRNPXIVDHN-CQSZACIVSA-N 1 1 231.339 3.528 10 30 BHEEMO CC#CCC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000155778952 326211549 /nfs/dbraw/zinc/21/15/49/326211549.db2.gz OUMUYRNPXIVDHN-AWEZNQCLSA-N 1 1 231.339 3.528 10 30 BHEEMO CCCCCCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000157737586 640731081 /nfs/dbraw/zinc/73/10/81/640731081.db2.gz PZGUCGKGOXJLKX-UHFFFAOYSA-N 1 1 249.402 3.560 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)c1ccc(F)cc1 ZINC000159864183 351014796 /nfs/dbraw/zinc/01/47/96/351014796.db2.gz IFAOMWUSAAFWRC-CORIIIEPSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)c1ccc(F)cc1 ZINC000159864314 351015032 /nfs/dbraw/zinc/01/50/32/351015032.db2.gz IFAOMWUSAAFWRC-WHOFXGATSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1 ZINC000159990059 388041540 /nfs/dbraw/zinc/04/15/40/388041540.db2.gz STJHGAGFUYQTRG-VHRBIJSZSA-N 1 1 248.757 3.683 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1 ZINC000159990209 388041762 /nfs/dbraw/zinc/04/17/62/388041762.db2.gz STJHGAGFUYQTRG-JKOKRWQUSA-N 1 1 248.757 3.683 10 30 BHEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000174865930 534981690 /nfs/dbraw/zinc/98/16/90/534981690.db2.gz XGPLHJSZMSLKMV-CYBMUJFWSA-N 1 1 246.354 3.746 10 30 BHEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000174865941 534982317 /nfs/dbraw/zinc/98/23/17/534982317.db2.gz XGPLHJSZMSLKMV-ZDUSSCGKSA-N 1 1 246.354 3.746 10 30 BHEEMO C=CCCCCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000193428531 388704498 /nfs/dbraw/zinc/70/44/98/388704498.db2.gz LCVKVWHUOCWOCF-OAHLLOKOSA-N 1 1 247.386 3.683 10 30 BHEEMO C=CCCCCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000193428548 388704326 /nfs/dbraw/zinc/70/43/26/388704326.db2.gz LCVKVWHUOCWOCF-HNNXBMFYSA-N 1 1 247.386 3.683 10 30 BHEEMO C[Si](C)(C)/[NH+]=C/c1cccc(Cl)c1 ZINC000196110091 347801650 /nfs/dbraw/zinc/80/16/50/347801650.db2.gz AEDMJZIGWLKRCC-XYOKQWHBSA-N 1 1 211.768 3.594 10 30 BHEEMO CC[C@@H](C)[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000197726769 348407540 /nfs/dbraw/zinc/40/75/40/348407540.db2.gz TYYIXERJKMDZBL-CJNGLKHVSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)[NH2+]C1CCCC1 ZINC000226060115 188358076 /nfs/dbraw/zinc/35/80/76/188358076.db2.gz CPPFAXIYYWWYFS-BMFZPTHFSA-N 1 1 248.414 3.873 10 30 BHEEMO C[C@H](CC#N)[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000251438498 135093630 /nfs/dbraw/zinc/09/36/30/135093630.db2.gz ALLLEJORADJKAI-GHMZBOCLSA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H](CC#N)[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000251438498 135093629 /nfs/dbraw/zinc/09/36/29/135093629.db2.gz ALLLEJORADJKAI-GHMZBOCLSA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H](C)CC#N ZINC000251438499 135093556 /nfs/dbraw/zinc/09/35/56/135093556.db2.gz ALLLEJORADJKAI-WDEREUQCSA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H](C)CC#N ZINC000251438499 135093554 /nfs/dbraw/zinc/09/35/54/135093554.db2.gz ALLLEJORADJKAI-WDEREUQCSA-N 1 1 236.746 3.635 10 30 BHEEMO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)c1ccccc1F ZINC000251582454 344071132 /nfs/dbraw/zinc/07/11/32/344071132.db2.gz WJTYVTOQYYNMIA-HUBLWGQQSA-N 1 1 246.329 3.559 10 30 BHEEMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)c1ccccc1F ZINC000251582460 344071126 /nfs/dbraw/zinc/07/11/26/344071126.db2.gz WJTYVTOQYYNMIA-SLEUVZQESA-N 1 1 246.329 3.559 10 30 BHEEMO CC[N@@H+](CCCCCC#N)Cc1ccccc1 ZINC000306600803 353029204 /nfs/dbraw/zinc/02/92/04/353029204.db2.gz ABLCTKHDLKGVFV-UHFFFAOYSA-N 1 1 230.355 3.592 10 30 BHEEMO CC[C@@H](C)[N@@H+](C/C=C/CS)Cc1ccccc1 ZINC000307081297 351469818 /nfs/dbraw/zinc/46/98/18/351469818.db2.gz OZCAUOPQQFHOGX-HSBSLETESA-N 1 1 249.423 3.773 10 30 BHEEMO CC[C@H](C)[N@@H+](C/C=C/CS)Cc1ccccc1 ZINC000307081298 351469419 /nfs/dbraw/zinc/46/94/19/351469419.db2.gz OZCAUOPQQFHOGX-NPQIQWPPSA-N 1 1 249.423 3.773 10 30 BHEEMO C#CC(C)(C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000307547026 343940893 /nfs/dbraw/zinc/94/08/93/343940893.db2.gz MYMALMUYBPPQKN-UHFFFAOYSA-N 1 1 248.178 3.556 10 30 BHEEMO C=CCCCNc1cccc2cc[nH+]cc21 ZINC000309341128 323344881 /nfs/dbraw/zinc/34/48/81/323344881.db2.gz KJMGYDQJXLBHBQ-UHFFFAOYSA-N 1 1 212.296 3.613 10 30 BHEEMO C=C(CC)CNc1cccc2cc[nH+]cc21 ZINC000309982864 323124517 /nfs/dbraw/zinc/12/45/17/323124517.db2.gz XAZYXYMDOWMFQR-UHFFFAOYSA-N 1 1 212.296 3.613 10 30 BHEEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343234053 386515929 /nfs/dbraw/zinc/51/59/29/386515929.db2.gz ALARIXUAUQKWTO-LLVKDONJSA-N 1 1 248.757 3.637 10 30 BHEEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1(C#N)CC1 ZINC000343234053 386515922 /nfs/dbraw/zinc/51/59/22/386515922.db2.gz ALARIXUAUQKWTO-LLVKDONJSA-N 1 1 248.757 3.637 10 30 BHEEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343234064 386516685 /nfs/dbraw/zinc/51/66/85/386516685.db2.gz ALARIXUAUQKWTO-NSHDSACASA-N 1 1 248.757 3.637 10 30 BHEEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1(C#N)CC1 ZINC000343234064 386516681 /nfs/dbraw/zinc/51/66/81/386516681.db2.gz ALARIXUAUQKWTO-NSHDSACASA-N 1 1 248.757 3.637 10 30 BHEEMO C=C(C)CCNc1cccc2cc[nH+]cc21 ZINC000381287184 355980489 /nfs/dbraw/zinc/98/04/89/355980489.db2.gz ZUYBBHGNKJIWGV-UHFFFAOYSA-N 1 1 212.296 3.613 10 30 BHEEMO CCCCCCCCCCN(C)CC[NH+](C)C ZINC000584614452 358278737 /nfs/dbraw/zinc/27/87/37/358278737.db2.gz OILYQGQAHOKYHM-UHFFFAOYSA-N 1 1 242.451 3.621 10 30 BHEEMO CCCCCCCCCC[N@@H+](C)CCN(C)C ZINC000584614452 358278734 /nfs/dbraw/zinc/27/87/34/358278734.db2.gz OILYQGQAHOKYHM-UHFFFAOYSA-N 1 1 242.451 3.621 10 30 BHEEMO C=CC[N@@H+]1CC[C@@]2(C1)CCC[C@@H](C(F)(F)F)C2 ZINC000584625004 358293899 /nfs/dbraw/zinc/29/38/99/358293899.db2.gz ZKLOFJSRUNCYEZ-NEPJUHHUSA-N 1 1 247.304 3.617 10 30 BHEEMO C=CC[N@@H+]1CC[C@]2(C1)CCC[C@H](C(F)(F)F)C2 ZINC000584625005 358293872 /nfs/dbraw/zinc/29/38/72/358293872.db2.gz ZKLOFJSRUNCYEZ-NWDGAFQWSA-N 1 1 247.304 3.617 10 30 BHEEMO C=CC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C(F)(F)F)C2 ZINC000584625006 358293889 /nfs/dbraw/zinc/29/38/89/358293889.db2.gz ZKLOFJSRUNCYEZ-RYUDHWBXSA-N 1 1 247.304 3.617 10 30 BHEEMO C=CC[N@@H+]1CC[C@]2(C1)CCC[C@@H](C(F)(F)F)C2 ZINC000584625007 358293759 /nfs/dbraw/zinc/29/37/59/358293759.db2.gz ZKLOFJSRUNCYEZ-VXGBXAGGSA-N 1 1 247.304 3.617 10 30 BHEEMO CC(C)[N@H+]1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616603128 350788770 /nfs/dbraw/zinc/78/87/70/350788770.db2.gz BJQZKFJEYWRNNL-HNNXBMFYSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616605316 350794301 /nfs/dbraw/zinc/79/43/01/350794301.db2.gz YLCYVBHUCCGOJO-INIZCTEOSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCCC[C@H](c2cccc(C#N)c2)C1 ZINC000616605318 350794353 /nfs/dbraw/zinc/79/43/53/350794353.db2.gz YMLBIJGJHSFPPA-INIZCTEOSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616605896 350795733 /nfs/dbraw/zinc/79/57/33/350795733.db2.gz YLCYVBHUCCGOJO-MRXNPFEDSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)(C)[N@H+]1CCC[C@H](c2ccccc2C#N)C1 ZINC000616609806 350805511 /nfs/dbraw/zinc/80/55/11/350805511.db2.gz ABZQPJPBQVAARV-AWEZNQCLSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1ccccc1C#N ZINC000616614080 350827261 /nfs/dbraw/zinc/82/72/61/350827261.db2.gz HYZYAXJHCQPEOI-OAHLLOKOSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616614270 350830344 /nfs/dbraw/zinc/83/03/44/350830344.db2.gz NUVGBQPXYXOIHY-OAHLLOKOSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccccc1C#N ZINC000616615378 398174648 /nfs/dbraw/zinc/17/46/48/398174648.db2.gz HYZYAXJHCQPEOI-HNNXBMFYSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616615497 369103153 /nfs/dbraw/zinc/10/31/53/369103153.db2.gz NUVGBQPXYXOIHY-HNNXBMFYSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616615775 411390392 /nfs/dbraw/zinc/39/03/92/411390392.db2.gz SAIZNDLLRKNGFM-HNNXBMFYSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)(C)[N@H+]1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616618195 350884232 /nfs/dbraw/zinc/88/42/32/350884232.db2.gz RGQRRSJRTZAAJD-HNNXBMFYSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)(C)[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000616618231 350884359 /nfs/dbraw/zinc/88/43/59/350884359.db2.gz TUCQKDUUQHPNTK-HNNXBMFYSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ccccc2C#N)C1 ZINC000616619703 350928547 /nfs/dbraw/zinc/92/85/47/350928547.db2.gz ABZQPJPBQVAARV-CQSZACIVSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCCCC[C@H]1c1ccc(C#N)cc1 ZINC000616620956 350949096 /nfs/dbraw/zinc/94/90/96/350949096.db2.gz IJYIXDGOCHQQPW-INIZCTEOSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616621352 351035378 /nfs/dbraw/zinc/03/53/78/351035378.db2.gz RGQRRSJRTZAAJD-OAHLLOKOSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616621424 351034589 /nfs/dbraw/zinc/03/45/89/351034589.db2.gz TUCQKDUUQHPNTK-OAHLLOKOSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616621684 351084195 /nfs/dbraw/zinc/08/41/95/351084195.db2.gz NRCQVTAEUWYENZ-INIZCTEOSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)[N@H+]1CCCCC[C@H]1c1ccccc1C#N ZINC000616622067 398207208 /nfs/dbraw/zinc/20/72/08/398207208.db2.gz SMRHTCCIQDLSFC-INIZCTEOSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)[N@H+]1CCCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616622846 351087773 /nfs/dbraw/zinc/08/77/73/351087773.db2.gz IJYIXDGOCHQQPW-MRXNPFEDSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)[N@H+]1CCCCC[C@@H]1c1cccc(C#N)c1 ZINC000616623571 351089198 /nfs/dbraw/zinc/08/91/98/351089198.db2.gz NRCQVTAEUWYENZ-MRXNPFEDSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)[N@H+]1CCCCC[C@@H]1c1ccccc1C#N ZINC000616623739 351090350 /nfs/dbraw/zinc/09/03/50/351090350.db2.gz SMRHTCCIQDLSFC-MRXNPFEDSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616626571 351106093 /nfs/dbraw/zinc/10/60/93/351106093.db2.gz SAIZNDLLRKNGFM-OAHLLOKOSA-N 1 1 242.366 3.884 10 30 BHEEMO CC(C)[N@H+]1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616628319 351097688 /nfs/dbraw/zinc/09/76/88/351097688.db2.gz PUSDGWUGFQRXMX-CQSZACIVSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCC[C@H](c2ccccc2C#N)CC1 ZINC000616628833 351099316 /nfs/dbraw/zinc/09/93/16/351099316.db2.gz PUSDGWUGFQRXMX-AWEZNQCLSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616629230 351100221 /nfs/dbraw/zinc/10/02/21/351100221.db2.gz ULGROJVOUKMKRC-OAHLLOKOSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616629312 351100049 /nfs/dbraw/zinc/10/00/49/351100049.db2.gz VKSUPEQLLKNPHC-OAHLLOKOSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000616630039 351102002 /nfs/dbraw/zinc/10/20/02/351102002.db2.gz ULGROJVOUKMKRC-HNNXBMFYSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000616630078 351101529 /nfs/dbraw/zinc/10/15/29/351101529.db2.gz VKSUPEQLLKNPHC-HNNXBMFYSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616651889 351189317 /nfs/dbraw/zinc/18/93/17/351189317.db2.gz BJQZKFJEYWRNNL-OAHLLOKOSA-N 1 1 242.366 3.536 10 30 BHEEMO CC(C)[N@H+]1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616656486 351203326 /nfs/dbraw/zinc/20/33/26/351203326.db2.gz YMLBIJGJHSFPPA-MRXNPFEDSA-N 1 1 242.366 3.536 10 30 BHEEMO C[C@@H]1C[C@H](C)C[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000675075192 538508218 /nfs/dbraw/zinc/50/82/18/538508218.db2.gz HQMYVHYHCNICGR-GASCZTMLSA-N 1 1 248.414 3.828 10 30 BHEEMO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1C ZINC000675080245 538519505 /nfs/dbraw/zinc/51/95/05/538519505.db2.gz PUMZSMAUAWOIQD-GJZGRUSLSA-N 1 1 248.414 3.971 10 30 BHEEMO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1C ZINC000675080246 538519370 /nfs/dbraw/zinc/51/93/70/538519370.db2.gz PUMZSMAUAWOIQD-HUUCEWRRSA-N 1 1 248.414 3.971 10 30 BHEEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000675080247 538519281 /nfs/dbraw/zinc/51/92/81/538519281.db2.gz PUMZSMAUAWOIQD-LSDHHAIUSA-N 1 1 248.414 3.971 10 30 BHEEMO