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)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000118398165 543651459 /nfs/dbraw/zinc/65/14/59/543651459.db2.gz DRSVLWYOEAVHFD-GHTZIAJQSA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000118398165 543651465 /nfs/dbraw/zinc/65/14/65/543651465.db2.gz DRSVLWYOEAVHFD-GHTZIAJQSA-N 2 2 356.514 2.346 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262454165 672916643 /nfs/dbraw/zinc/91/66/43/672916643.db2.gz KOZYGGUQUJIHRR-DLBZAZTESA-N 2 2 362.543 2.007 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262454165 672916647 /nfs/dbraw/zinc/91/66/47/672916647.db2.gz KOZYGGUQUJIHRR-DLBZAZTESA-N 2 2 362.543 2.007 10 30 FEEELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000311887786 553755595 /nfs/dbraw/zinc/75/55/95/553755595.db2.gz CRDGHTPDMHUDHT-PXNSSMCTSA-N 2 2 353.466 2.408 10 30 FEEELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000311887786 553755596 /nfs/dbraw/zinc/75/55/96/553755596.db2.gz CRDGHTPDMHUDHT-PXNSSMCTSA-N 2 2 353.466 2.408 10 30 FEEELP N#CCCn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(-c2ccccc2)n1 ZINC000113326984 543484581 /nfs/dbraw/zinc/48/45/81/543484581.db2.gz UQHWIFNYVIGUPH-HXUWFJFHSA-N 2 2 367.497 2.400 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154586947 544925635 /nfs/dbraw/zinc/92/56/35/544925635.db2.gz WOADWRNDYLDICN-JKSUJKDBSA-N 2 2 355.467 2.395 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154586947 544925641 /nfs/dbraw/zinc/92/56/41/544925641.db2.gz WOADWRNDYLDICN-JKSUJKDBSA-N 2 2 355.467 2.395 10 30 FEEELP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246211549 549079132 /nfs/dbraw/zinc/07/91/32/549079132.db2.gz ZJEHVRQRLMLGAR-ZWKOTPCHSA-N 2 2 352.438 2.127 10 30 FEEELP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246211549 549079135 /nfs/dbraw/zinc/07/91/35/549079135.db2.gz ZJEHVRQRLMLGAR-ZWKOTPCHSA-N 2 2 352.438 2.127 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128643549 544064570 /nfs/dbraw/zinc/06/45/70/544064570.db2.gz KJFSARRRYZDCFI-QGZVFWFLSA-N 2 2 372.494 2.428 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128643549 544064575 /nfs/dbraw/zinc/06/45/75/544064575.db2.gz KJFSARRRYZDCFI-QGZVFWFLSA-N 2 2 372.494 2.428 10 30 FEEELP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000171643625 327150626 /nfs/dbraw/zinc/15/06/26/327150626.db2.gz HAKBXXHAAQTQSG-PKOBYXMFSA-N 2 2 361.449 2.493 10 30 FEEELP N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000171643625 327150627 /nfs/dbraw/zinc/15/06/27/327150627.db2.gz HAKBXXHAAQTQSG-PKOBYXMFSA-N 2 2 361.449 2.493 10 30 FEEELP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644067 327150796 /nfs/dbraw/zinc/15/07/96/327150796.db2.gz ZJEHVRQRLMLGAR-ROUUACIJSA-N 2 2 352.438 2.127 10 30 FEEELP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644067 327150797 /nfs/dbraw/zinc/15/07/97/327150797.db2.gz ZJEHVRQRLMLGAR-ROUUACIJSA-N 2 2 352.438 2.127 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561792 549357894 /nfs/dbraw/zinc/35/78/94/549357894.db2.gz GDUZWOLIGDLEPW-ZWKOTPCHSA-N 2 2 354.454 2.394 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561792 549357897 /nfs/dbraw/zinc/35/78/97/549357897.db2.gz GDUZWOLIGDLEPW-ZWKOTPCHSA-N 2 2 354.454 2.394 10 30 FEEELP C=CCC[C@H](CN(C)CC[NH+](C)C)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072477489 541820508 /nfs/dbraw/zinc/82/05/08/541820508.db2.gz NQBHGBOFWLZBMM-QGZVFWFLSA-N 2 2 358.490 2.178 10 30 FEEELP C=CCC[C@H](C[N@@H+](C)CCN(C)C)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072477489 541820510 /nfs/dbraw/zinc/82/05/10/541820510.db2.gz NQBHGBOFWLZBMM-QGZVFWFLSA-N 2 2 358.490 2.178 10 30 FEEELP C=CCC[C@H](C[N@H+](C)CCN(C)C)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072477489 541820512 /nfs/dbraw/zinc/82/05/12/541820512.db2.gz NQBHGBOFWLZBMM-QGZVFWFLSA-N 2 2 358.490 2.178 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000245974283 549030676 /nfs/dbraw/zinc/03/06/76/549030676.db2.gz WOADWRNDYLDICN-HOTGVXAUSA-N 2 2 355.467 2.395 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000245974283 549030680 /nfs/dbraw/zinc/03/06/80/549030680.db2.gz WOADWRNDYLDICN-HOTGVXAUSA-N 2 2 355.467 2.395 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176234476 546422375 /nfs/dbraw/zinc/42/23/75/546422375.db2.gz YPQJXVMSONGQCM-QGZVFWFLSA-N 2 2 372.494 2.428 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176234476 546422378 /nfs/dbraw/zinc/42/23/78/546422378.db2.gz YPQJXVMSONGQCM-QGZVFWFLSA-N 2 2 372.494 2.428 10 30 FEEELP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000246095638 549051182 /nfs/dbraw/zinc/05/11/82/549051182.db2.gz HAKBXXHAAQTQSG-HKUYNNGSSA-N 2 2 361.449 2.493 10 30 FEEELP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000246095638 549051186 /nfs/dbraw/zinc/05/11/86/549051186.db2.gz HAKBXXHAAQTQSG-HKUYNNGSSA-N 2 2 361.449 2.493 10 30 FEEELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000118398167 543651892 /nfs/dbraw/zinc/65/18/92/543651892.db2.gz DRSVLWYOEAVHFD-RXVVDRJESA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000118398167 543651894 /nfs/dbraw/zinc/65/18/94/543651894.db2.gz DRSVLWYOEAVHFD-RXVVDRJESA-N 2 2 356.514 2.346 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156826388 545665371 /nfs/dbraw/zinc/66/53/71/545665371.db2.gz PEBFIYPPEVBKQF-KRWDZBQOSA-N 2 2 358.467 2.002 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156826388 545665379 /nfs/dbraw/zinc/66/53/79/545665379.db2.gz PEBFIYPPEVBKQF-KRWDZBQOSA-N 2 2 358.467 2.002 10 30 FEEELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652022 546217566 /nfs/dbraw/zinc/21/75/66/546217566.db2.gz LXQMNNPRBMZFOA-QGZVFWFLSA-N 2 2 355.486 2.467 10 30 FEEELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652022 546217574 /nfs/dbraw/zinc/21/75/74/546217574.db2.gz LXQMNNPRBMZFOA-QGZVFWFLSA-N 2 2 355.486 2.467 10 30 FEEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612169 /nfs/dbraw/zinc/61/21/69/548612169.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 2 2 350.466 2.441 10 30 FEEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612176 /nfs/dbraw/zinc/61/21/76/548612176.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 2 2 350.466 2.441 10 30 FEEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612179 /nfs/dbraw/zinc/61/21/79/548612179.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 2 2 350.466 2.441 10 30 FEEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283488 548612183 /nfs/dbraw/zinc/61/21/83/548612183.db2.gz OLTITEIKSPKHCY-FPOVZHCZSA-N 2 2 350.466 2.441 10 30 FEEELP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000171643628 327150902 /nfs/dbraw/zinc/15/09/02/327150902.db2.gz HAKBXXHAAQTQSG-IEBWSBKVSA-N 2 2 361.449 2.493 10 30 FEEELP N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000171643628 327150903 /nfs/dbraw/zinc/15/09/03/327150903.db2.gz HAKBXXHAAQTQSG-IEBWSBKVSA-N 2 2 361.449 2.493 10 30 FEEELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000249399916 549588153 /nfs/dbraw/zinc/58/81/53/549588153.db2.gz UWOFGLYJSMCTMR-NQIIRXRSSA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000249399916 549588157 /nfs/dbraw/zinc/58/81/57/549588157.db2.gz UWOFGLYJSMCTMR-NQIIRXRSSA-N 2 2 356.514 2.346 10 30 FEEELP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262803932 672921278 /nfs/dbraw/zinc/92/12/78/672921278.db2.gz SCANNRZDPUNJIX-QWHCGFSZSA-N 2 2 352.470 2.321 10 30 FEEELP C=CCOc1cc(Cl)c([C@H]2[NH2+][C@@](C)(CO)[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000065506733 541241408 /nfs/dbraw/zinc/24/14/08/541241408.db2.gz ULAHWMYFTGSYRJ-CFGMGRTJSA-N 2 2 366.889 2.487 10 30 FEEELP C=CCOc1cc(Cl)c([C@H]2[NH2+][C@@](C)(CO)[C@H]3C[N@@H+](C)C[C@H]32)cc1OC ZINC000065506733 541241411 /nfs/dbraw/zinc/24/14/11/541241411.db2.gz ULAHWMYFTGSYRJ-CFGMGRTJSA-N 2 2 366.889 2.487 10 30 FEEELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000187682520 328039354 /nfs/dbraw/zinc/03/93/54/328039354.db2.gz UWOFGLYJSMCTMR-GHTZIAJQSA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000187682520 328039355 /nfs/dbraw/zinc/03/93/55/328039355.db2.gz UWOFGLYJSMCTMR-GHTZIAJQSA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000249399917 549588456 /nfs/dbraw/zinc/58/84/56/549588456.db2.gz UWOFGLYJSMCTMR-WIYYLYMNSA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000249399917 549588463 /nfs/dbraw/zinc/58/84/63/549588463.db2.gz UWOFGLYJSMCTMR-WIYYLYMNSA-N 2 2 356.514 2.346 10 30 FEEELP C=CCC[C@@H](CN(C)CC[NH+](C)C)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072477488 518711515 /nfs/dbraw/zinc/71/15/15/518711515.db2.gz NQBHGBOFWLZBMM-KRWDZBQOSA-N 2 2 358.490 2.178 10 30 FEEELP C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072477488 518711520 /nfs/dbraw/zinc/71/15/20/518711520.db2.gz NQBHGBOFWLZBMM-KRWDZBQOSA-N 2 2 358.490 2.178 10 30 FEEELP C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000072477488 518711524 /nfs/dbraw/zinc/71/15/24/518711524.db2.gz NQBHGBOFWLZBMM-KRWDZBQOSA-N 2 2 358.490 2.178 10 30 FEEELP CN(C)c1ccc(N[C@H]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)c[nH+]1 ZINC000328630145 553798868 /nfs/dbraw/zinc/79/88/68/553798868.db2.gz JBNPCGPLQXDMDV-INIZCTEOSA-N 2 2 371.489 2.225 10 30 FEEELP CN(C)c1ccc(N[C@H]2CCCN(C([O-])=[NH+]CCn3cc[nH+]c3)CC2)c[nH+]1 ZINC000328630145 553798869 /nfs/dbraw/zinc/79/88/69/553798869.db2.gz JBNPCGPLQXDMDV-INIZCTEOSA-N 2 2 371.489 2.225 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262454166 672916560 /nfs/dbraw/zinc/91/65/60/672916560.db2.gz KOZYGGUQUJIHRR-IAGOWNOFSA-N 2 2 362.543 2.007 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262454166 672916564 /nfs/dbraw/zinc/91/65/64/672916564.db2.gz KOZYGGUQUJIHRR-IAGOWNOFSA-N 2 2 362.543 2.007 10 30 FEEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129118 543206049 /nfs/dbraw/zinc/20/60/49/543206049.db2.gz YDMWBHYSVIJHTN-SFHVURJKSA-N 2 2 361.534 2.092 10 30 FEEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129118 543206050 /nfs/dbraw/zinc/20/60/50/543206050.db2.gz YDMWBHYSVIJHTN-SFHVURJKSA-N 2 2 361.534 2.092 10 30 FEEELP C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649524 547150896 /nfs/dbraw/zinc/15/08/96/547150896.db2.gz VVWQJRZRCKGJCR-INIZCTEOSA-N 2 2 350.426 2.179 10 30 FEEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087248 670889507 /nfs/dbraw/zinc/88/95/07/670889507.db2.gz SFIGDYJGPXXSRW-ZDUSSCGKSA-N 2 2 359.301 2.331 10 30 FEEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087248 670889511 /nfs/dbraw/zinc/88/95/11/670889511.db2.gz SFIGDYJGPXXSRW-ZDUSSCGKSA-N 2 2 359.301 2.331 10 30 FEEELP Cc1cc(N2CCC[C@@H]([N@H+](C)Cc3nccc(N)n3)CC2)c(C#N)c(C)[nH+]1 ZINC000328651467 553802482 /nfs/dbraw/zinc/80/24/82/553802482.db2.gz VXRKVAJOBBIXCK-MRXNPFEDSA-N 2 2 365.485 2.433 10 30 FEEELP Cc1cc(N2CCC[C@@H]([N@@H+](C)Cc3nccc(N)n3)CC2)c(C#N)c(C)[nH+]1 ZINC000328651467 553802484 /nfs/dbraw/zinc/80/24/84/553802484.db2.gz VXRKVAJOBBIXCK-MRXNPFEDSA-N 2 2 365.485 2.433 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561785 549357707 /nfs/dbraw/zinc/35/77/07/549357707.db2.gz GDUZWOLIGDLEPW-QZTJIDSGSA-N 2 2 354.454 2.394 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247561785 549357709 /nfs/dbraw/zinc/35/77/09/549357709.db2.gz GDUZWOLIGDLEPW-QZTJIDSGSA-N 2 2 354.454 2.394 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215045 543218301 /nfs/dbraw/zinc/21/83/01/543218301.db2.gz GDUZWOLIGDLEPW-ROUUACIJSA-N 2 2 354.454 2.394 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215045 543218303 /nfs/dbraw/zinc/21/83/03/543218303.db2.gz GDUZWOLIGDLEPW-ROUUACIJSA-N 2 2 354.454 2.394 10 30 FEEELP C[N@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128729 543206126 /nfs/dbraw/zinc/20/61/26/543206126.db2.gz FXSNQYUMPRRHQA-UHFFFAOYSA-N 2 2 353.470 2.230 10 30 FEEELP C[N@@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128729 543206128 /nfs/dbraw/zinc/20/61/28/543206128.db2.gz FXSNQYUMPRRHQA-UHFFFAOYSA-N 2 2 353.470 2.230 10 30 FEEELP CCc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181937632 327753707 /nfs/dbraw/zinc/75/37/07/327753707.db2.gz ACHNBKLYAKQOGP-LJQANCHMSA-N 2 2 364.497 2.281 10 30 FEEELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(C#N)c2)nc[nH+]1 ZINC000174360374 327322087 /nfs/dbraw/zinc/32/20/87/327322087.db2.gz WCHCRMULPZTKBF-INIZCTEOSA-N 2 2 352.442 2.157 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215042 543218680 /nfs/dbraw/zinc/21/86/80/543218680.db2.gz GDUZWOLIGDLEPW-MSOLQXFVSA-N 2 2 354.454 2.394 10 30 FEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000106215042 543218683 /nfs/dbraw/zinc/21/86/83/543218683.db2.gz GDUZWOLIGDLEPW-MSOLQXFVSA-N 2 2 354.454 2.394 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NCC1(c2cccs2)CCCCC1 ZINC000262443579 672916060 /nfs/dbraw/zinc/91/60/60/672916060.db2.gz CZWGIEWCKCMMRX-MRXNPFEDSA-N 2 2 364.559 2.446 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NCC1(c2cccs2)CCCCC1 ZINC000262443579 672916065 /nfs/dbraw/zinc/91/60/65/672916065.db2.gz CZWGIEWCKCMMRX-MRXNPFEDSA-N 2 2 364.559 2.446 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176234496 546422425 /nfs/dbraw/zinc/42/24/25/546422425.db2.gz YPQJXVMSONGQCM-KRWDZBQOSA-N 2 2 372.494 2.428 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176234496 546422429 /nfs/dbraw/zinc/42/24/29/546422429.db2.gz YPQJXVMSONGQCM-KRWDZBQOSA-N 2 2 372.494 2.428 10 30 FEEELP C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649545 547150972 /nfs/dbraw/zinc/15/09/72/547150972.db2.gz VVWQJRZRCKGJCR-MRXNPFEDSA-N 2 2 350.426 2.179 10 30 FEEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129114 543206001 /nfs/dbraw/zinc/20/60/01/543206001.db2.gz YDMWBHYSVIJHTN-GOSISDBHSA-N 2 2 361.534 2.092 10 30 FEEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129114 543206002 /nfs/dbraw/zinc/20/60/02/543206002.db2.gz YDMWBHYSVIJHTN-GOSISDBHSA-N 2 2 361.534 2.092 10 30 FEEELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(C#N)c2)nc[nH+]1 ZINC000174360358 327322054 /nfs/dbraw/zinc/32/20/54/327322054.db2.gz WCHCRMULPZTKBF-MRXNPFEDSA-N 2 2 352.442 2.157 10 30 FEEELP Cc1cc(N2CCC[C@H]([N@H+](C)Cc3nccc(N)n3)CC2)c(C#N)c(C)[nH+]1 ZINC000328651466 553802513 /nfs/dbraw/zinc/80/25/13/553802513.db2.gz VXRKVAJOBBIXCK-INIZCTEOSA-N 2 2 365.485 2.433 10 30 FEEELP Cc1cc(N2CCC[C@H]([N@@H+](C)Cc3nccc(N)n3)CC2)c(C#N)c(C)[nH+]1 ZINC000328651466 553802515 /nfs/dbraw/zinc/80/25/15/553802515.db2.gz VXRKVAJOBBIXCK-INIZCTEOSA-N 2 2 365.485 2.433 10 30 FEEELP N#CCCn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(-c2ccccc2)n1 ZINC000113326982 543483766 /nfs/dbraw/zinc/48/37/66/543483766.db2.gz UQHWIFNYVIGUPH-FQEVSTJZSA-N 2 2 367.497 2.400 10 30 FEEELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000187682542 328039266 /nfs/dbraw/zinc/03/92/66/328039266.db2.gz UWOFGLYJSMCTMR-RXVVDRJESA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000187682542 328039268 /nfs/dbraw/zinc/03/92/68/328039268.db2.gz UWOFGLYJSMCTMR-RXVVDRJESA-N 2 2 356.514 2.346 10 30 FEEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NCC1(c2cccs2)CCCCC1 ZINC000262443571 672916078 /nfs/dbraw/zinc/91/60/78/672916078.db2.gz CZWGIEWCKCMMRX-INIZCTEOSA-N 2 2 364.559 2.446 10 30 FEEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NCC1(c2cccs2)CCCCC1 ZINC000262443571 672916081 /nfs/dbraw/zinc/91/60/81/672916081.db2.gz CZWGIEWCKCMMRX-INIZCTEOSA-N 2 2 364.559 2.446 10 30 FEEELP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C#N ZINC000135051644 544332391 /nfs/dbraw/zinc/33/23/91/544332391.db2.gz FLVVHASSIZIMQI-UHFFFAOYSA-N 2 2 353.470 2.360 10 30 FEEELP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C#N ZINC000135051644 544332394 /nfs/dbraw/zinc/33/23/94/544332394.db2.gz FLVVHASSIZIMQI-UHFFFAOYSA-N 2 2 353.470 2.360 10 30 FEEELP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)[C@@H]1c1ccccc1 ZINC000329124351 553884885 /nfs/dbraw/zinc/88/48/85/553884885.db2.gz LUIYJHMMLVICRK-VJANTYMQSA-N 2 2 361.486 2.124 10 30 FEEELP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)[C@@H]1c1ccccc1 ZINC000329124351 553884888 /nfs/dbraw/zinc/88/48/88/553884888.db2.gz LUIYJHMMLVICRK-VJANTYMQSA-N 2 2 361.486 2.124 10 30 FEEELP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000329124351 553884890 /nfs/dbraw/zinc/88/48/90/553884890.db2.gz LUIYJHMMLVICRK-VJANTYMQSA-N 2 2 361.486 2.124 10 30 FEEELP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)[C@@H]1c1ccccc1 ZINC000329124351 553884892 /nfs/dbraw/zinc/88/48/92/553884892.db2.gz LUIYJHMMLVICRK-VJANTYMQSA-N 2 2 361.486 2.124 10 30 FEEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCSC2(CCCCC2)C1 ZINC000153560387 672200605 /nfs/dbraw/zinc/20/06/05/672200605.db2.gz VFAGKWOSPDRQMI-MRXNPFEDSA-N 2 2 354.564 2.034 10 30 FEEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCSC2(CCCCC2)C1 ZINC000153560387 672200606 /nfs/dbraw/zinc/20/06/06/672200606.db2.gz VFAGKWOSPDRQMI-MRXNPFEDSA-N 2 2 354.564 2.034 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128643778 544064372 /nfs/dbraw/zinc/06/43/72/544064372.db2.gz KJFSARRRYZDCFI-KRWDZBQOSA-N 2 2 372.494 2.428 10 30 FEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128643778 544064374 /nfs/dbraw/zinc/06/43/74/544064374.db2.gz KJFSARRRYZDCFI-KRWDZBQOSA-N 2 2 372.494 2.428 10 30 FEEELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000246295339 549098090 /nfs/dbraw/zinc/09/80/90/549098090.db2.gz DRSVLWYOEAVHFD-NQIIRXRSSA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000246295339 549098094 /nfs/dbraw/zinc/09/80/94/549098094.db2.gz DRSVLWYOEAVHFD-NQIIRXRSSA-N 2 2 356.514 2.346 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087246 670889135 /nfs/dbraw/zinc/88/91/35/670889135.db2.gz SFIGDYJGPXXSRW-CYBMUJFWSA-N 2 2 359.301 2.331 10 30 FEEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087246 670889145 /nfs/dbraw/zinc/88/91/45/670889145.db2.gz SFIGDYJGPXXSRW-CYBMUJFWSA-N 2 2 359.301 2.331 10 30 FEEELP COc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000120868228 326294935 /nfs/dbraw/zinc/29/49/35/326294935.db2.gz KTTXUBKLWJDRER-UHFFFAOYSA-N 2 2 353.470 2.360 10 30 FEEELP COc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000120868228 326294936 /nfs/dbraw/zinc/29/49/36/326294936.db2.gz KTTXUBKLWJDRER-UHFFFAOYSA-N 2 2 353.470 2.360 10 30 FEEELP COc1ccc(C#N)cc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000159941084 545993735 /nfs/dbraw/zinc/99/37/35/545993735.db2.gz HXLWHKOOJCDTKT-UHFFFAOYSA-N 2 2 353.470 2.360 10 30 FEEELP COc1ccc(C#N)cc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000159941084 545993739 /nfs/dbraw/zinc/99/37/39/545993739.db2.gz HXLWHKOOJCDTKT-UHFFFAOYSA-N 2 2 353.470 2.360 10 30 FEEELP CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)c[nH+]1 ZINC000328630146 553798947 /nfs/dbraw/zinc/79/89/47/553798947.db2.gz JBNPCGPLQXDMDV-MRXNPFEDSA-N 2 2 371.489 2.225 10 30 FEEELP CN(C)c1ccc(N[C@@H]2CCCN(C([O-])=[NH+]CCn3cc[nH+]c3)CC2)c[nH+]1 ZINC000328630146 553798950 /nfs/dbraw/zinc/79/89/50/553798950.db2.gz JBNPCGPLQXDMDV-MRXNPFEDSA-N 2 2 371.489 2.225 10 30 FEEELP C#CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121220264 543691056 /nfs/dbraw/zinc/69/10/56/543691056.db2.gz SSNDMQVDBDIYTR-UHFFFAOYSA-N 2 2 352.482 2.492 10 30 FEEELP C#CCOc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121220264 543691057 /nfs/dbraw/zinc/69/10/57/543691057.db2.gz SSNDMQVDBDIYTR-UHFFFAOYSA-N 2 2 352.482 2.492 10 30 FEEELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000311887784 553755410 /nfs/dbraw/zinc/75/54/10/553755410.db2.gz CRDGHTPDMHUDHT-FXAWDEMLSA-N 2 2 353.466 2.408 10 30 FEEELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000311887784 553755411 /nfs/dbraw/zinc/75/54/11/553755411.db2.gz CRDGHTPDMHUDHT-FXAWDEMLSA-N 2 2 353.466 2.408 10 30 FEEELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652016 546216987 /nfs/dbraw/zinc/21/69/87/546216987.db2.gz LXQMNNPRBMZFOA-KRWDZBQOSA-N 2 2 355.486 2.467 10 30 FEEELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652016 546216992 /nfs/dbraw/zinc/21/69/92/546216992.db2.gz LXQMNNPRBMZFOA-KRWDZBQOSA-N 2 2 355.486 2.467 10 30 FEEELP CCc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181937645 547410289 /nfs/dbraw/zinc/41/02/89/547410289.db2.gz ACHNBKLYAKQOGP-IBGZPJMESA-N 2 2 364.497 2.281 10 30 FEEELP C[N@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130873 543206078 /nfs/dbraw/zinc/20/60/78/543206078.db2.gz KBQDOKDJOGBHLD-UHFFFAOYSA-N 2 2 353.470 2.230 10 30 FEEELP C[N@@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130873 543206079 /nfs/dbraw/zinc/20/60/79/543206079.db2.gz KBQDOKDJOGBHLD-UHFFFAOYSA-N 2 2 353.470 2.230 10 30 FEEELP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cc1C#N ZINC000284640824 551596679 /nfs/dbraw/zinc/59/66/79/551596679.db2.gz USXYGQLKKWYESF-OXJNMPFZSA-N 2 2 352.486 2.336 10 30 FEEELP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cc1C#N ZINC000284640824 551596682 /nfs/dbraw/zinc/59/66/82/551596682.db2.gz USXYGQLKKWYESF-OXJNMPFZSA-N 2 2 352.486 2.336 10 30 FEEELP Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301758520 553677684 /nfs/dbraw/zinc/67/76/84/553677684.db2.gz FEOOMJYOINJMJK-UHFFFAOYSA-N 2 2 369.513 2.389 10 30 FEEELP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644070 327150836 /nfs/dbraw/zinc/15/08/36/327150836.db2.gz ZJEHVRQRLMLGAR-MSOLQXFVSA-N 2 2 352.438 2.127 10 30 FEEELP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644070 327150837 /nfs/dbraw/zinc/15/08/37/327150837.db2.gz ZJEHVRQRLMLGAR-MSOLQXFVSA-N 2 2 352.438 2.127 10 30 FEEELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000246295394 549098567 /nfs/dbraw/zinc/09/85/67/549098567.db2.gz DRSVLWYOEAVHFD-WIYYLYMNSA-N 2 2 356.514 2.346 10 30 FEEELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000246295394 549098574 /nfs/dbraw/zinc/09/85/74/549098574.db2.gz DRSVLWYOEAVHFD-WIYYLYMNSA-N 2 2 356.514 2.346 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000178294885 546770187 /nfs/dbraw/zinc/77/01/87/546770187.db2.gz GJARQNUOBUHGRN-KRWDZBQOSA-N 2 2 358.467 2.002 10 30 FEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000178294885 546770192 /nfs/dbraw/zinc/77/01/92/546770192.db2.gz GJARQNUOBUHGRN-KRWDZBQOSA-N 2 2 358.467 2.002 10 30 FEEELP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246211544 549079588 /nfs/dbraw/zinc/07/95/88/549079588.db2.gz ZJEHVRQRLMLGAR-QZTJIDSGSA-N 2 2 352.438 2.127 10 30 FEEELP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246211544 549079593 /nfs/dbraw/zinc/07/95/93/549079593.db2.gz ZJEHVRQRLMLGAR-QZTJIDSGSA-N 2 2 352.438 2.127 10 30 FEEELP C[N@H+](CCOc1ccccc1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128527 543205930 /nfs/dbraw/zinc/20/59/30/543205930.db2.gz JBQJDDGOARQFFP-UHFFFAOYSA-N 2 2 353.470 2.230 10 30 FEEELP C[N@@H+](CCOc1ccccc1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128527 543205933 /nfs/dbraw/zinc/20/59/33/543205933.db2.gz JBQJDDGOARQFFP-UHFFFAOYSA-N 2 2 353.470 2.230 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000178294895 546771174 /nfs/dbraw/zinc/77/11/74/546771174.db2.gz GJARQNUOBUHGRN-QGZVFWFLSA-N 2 2 358.467 2.002 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000178294895 546771181 /nfs/dbraw/zinc/77/11/81/546771181.db2.gz GJARQNUOBUHGRN-QGZVFWFLSA-N 2 2 358.467 2.002 10 30 FEEELP C#CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121224054 543691034 /nfs/dbraw/zinc/69/10/34/543691034.db2.gz JZXWEIPOORPIMG-UHFFFAOYSA-N 2 2 352.482 2.492 10 30 FEEELP C#CCOc1ccccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121224054 543691035 /nfs/dbraw/zinc/69/10/35/543691035.db2.gz JZXWEIPOORPIMG-UHFFFAOYSA-N 2 2 352.482 2.492 10 30 FEEELP C=CCC[C@@H](C[N@H+]1CCCN(C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788108 518711390 /nfs/dbraw/zinc/71/13/90/518711390.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 2 2 370.501 2.322 10 30 FEEELP C=CCC[C@@H](C[N@@H+]1CCCN(C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788108 518711395 /nfs/dbraw/zinc/71/13/95/518711395.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 2 2 370.501 2.322 10 30 FEEELP C=CCC[C@@H](CN1CCC[N@@H+](C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788108 518711398 /nfs/dbraw/zinc/71/13/98/518711398.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 2 2 370.501 2.322 10 30 FEEELP C=CCC[C@@H](CN1CCC[N@H+](C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788108 518711402 /nfs/dbraw/zinc/71/14/02/518711402.db2.gz QXYBILCBWXGBAA-SFHVURJKSA-N 2 2 370.501 2.322 10 30 FEEELP C=CCC[C@H](C[N@H+]1CCCN(C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788110 518721800 /nfs/dbraw/zinc/72/18/00/518721800.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 2 2 370.501 2.322 10 30 FEEELP C=CCC[C@H](C[N@@H+]1CCCN(C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788110 518721806 /nfs/dbraw/zinc/72/18/06/518721806.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 2 2 370.501 2.322 10 30 FEEELP C=CCC[C@H](CN1CCC[N@@H+](C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788110 518721813 /nfs/dbraw/zinc/72/18/13/518721813.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 2 2 370.501 2.322 10 30 FEEELP C=CCC[C@H](CN1CCC[N@H+](C)CC1)Oc1ccc(-n2cc[nH+]c2C)nn1 ZINC000067788110 518721821 /nfs/dbraw/zinc/72/18/21/518721821.db2.gz QXYBILCBWXGBAA-GOSISDBHSA-N 2 2 370.501 2.322 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000245974277 549030631 /nfs/dbraw/zinc/03/06/31/549030631.db2.gz WOADWRNDYLDICN-CVEARBPZSA-N 2 2 355.467 2.395 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000245974277 549030636 /nfs/dbraw/zinc/03/06/36/549030636.db2.gz WOADWRNDYLDICN-CVEARBPZSA-N 2 2 355.467 2.395 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154587061 544925845 /nfs/dbraw/zinc/92/58/45/544925845.db2.gz WOADWRNDYLDICN-HZPDHXFCSA-N 2 2 355.467 2.395 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154587061 544925847 /nfs/dbraw/zinc/92/58/47/544925847.db2.gz WOADWRNDYLDICN-HZPDHXFCSA-N 2 2 355.467 2.395 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156826529 545666563 /nfs/dbraw/zinc/66/65/63/545666563.db2.gz PEBFIYPPEVBKQF-QGZVFWFLSA-N 2 2 358.467 2.002 10 30 FEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156826529 545666565 /nfs/dbraw/zinc/66/65/65/545666565.db2.gz PEBFIYPPEVBKQF-QGZVFWFLSA-N 2 2 358.467 2.002 10 30 FEEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612115 /nfs/dbraw/zinc/61/21/15/548612115.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 2 2 350.466 2.441 10 30 FEEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612121 /nfs/dbraw/zinc/61/21/21/548612121.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 2 2 350.466 2.441 10 30 FEEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612124 /nfs/dbraw/zinc/61/21/24/548612124.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 2 2 350.466 2.441 10 30 FEEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000195283501 548612130 /nfs/dbraw/zinc/61/21/30/548612130.db2.gz OLTITEIKSPKHCY-CTNGQTDRSA-N 2 2 350.466 2.441 10 30 FEEELP C[NH+]=C(NCC[NH+]1CCSCC1)NC1CCC(C(F)(F)F)CC1 ZINC000262772655 672920552 /nfs/dbraw/zinc/92/05/52/672920552.db2.gz IIJVSXPMYSAABI-UHFFFAOYSA-N 2 2 352.470 2.321 10 30 FEEELP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000174264228 327316261 /nfs/dbraw/zinc/31/62/61/327316261.db2.gz HMRYZZHHNKLHGD-FQEVSTJZSA-N 2 2 351.450 2.076 10 30 FEEELP COc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000174264228 327316262 /nfs/dbraw/zinc/31/62/62/327316262.db2.gz HMRYZZHHNKLHGD-FQEVSTJZSA-N 2 2 351.450 2.076 10 30 FEEELP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000246095644 549051416 /nfs/dbraw/zinc/05/14/16/549051416.db2.gz HAKBXXHAAQTQSG-MJGOQNOKSA-N 2 2 361.449 2.493 10 30 FEEELP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)C2=O)cc1 ZINC000246095644 549051419 /nfs/dbraw/zinc/05/14/19/549051419.db2.gz HAKBXXHAAQTQSG-MJGOQNOKSA-N 2 2 361.449 2.493 10 30 FEEELP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCSC2(CCCCC2)C1 ZINC000153560510 672200561 /nfs/dbraw/zinc/20/05/61/672200561.db2.gz VFAGKWOSPDRQMI-INIZCTEOSA-N 2 2 354.564 2.034 10 30 FEEELP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCSC2(CCCCC2)C1 ZINC000153560510 672200563 /nfs/dbraw/zinc/20/05/63/672200563.db2.gz VFAGKWOSPDRQMI-INIZCTEOSA-N 2 2 354.564 2.034 10 30 FEEELP CN(C)c1ccc(C=[NH+]NC(=N)N[NH+]=Cc2ccc(N(C)C)cc2)cc1 ZINC000059369509 221125590 /nfs/dbraw/zinc/12/55/90/221125590.db2.gz DBTHUYFRHDODRL-JZTLMNBPSA-N 2 2 351.458 2.301 10 30 FEEELP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262803925 672921368 /nfs/dbraw/zinc/92/13/68/672921368.db2.gz SCANNRZDPUNJIX-CHWSQXEVSA-N 2 2 352.470 2.321 10 30 FEEELP