smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599370 823205769 /nfs/dbraw/zinc/20/57/69/823205769.db2.gz XNVSVNIRVHLFFQ-WDYCEAGBSA-N 2 2 378.442 4.121 20 30 GIEDLP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599370 823205774 /nfs/dbraw/zinc/20/57/74/823205774.db2.gz XNVSVNIRVHLFFQ-WDYCEAGBSA-N 2 2 378.442 4.121 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(c4ccc(F)cc4)CCC3)CC2)cc1 ZINC000181640774 821918326 /nfs/dbraw/zinc/91/83/26/821918326.db2.gz KRMUWKJPUNLBNU-UHFFFAOYSA-N 2 2 377.507 4.373 20 30 GIEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000181997554 822057617 /nfs/dbraw/zinc/05/76/17/822057617.db2.gz NJAMZUJESUNXCL-QFIPXVFZSA-N 2 2 383.923 4.153 20 30 GIEDLP CC(C)(C)c1nc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000182095938 822092243 /nfs/dbraw/zinc/09/22/43/822092243.db2.gz TYKWZRYQZQBXQQ-UHFFFAOYSA-N 2 2 382.577 4.109 20 30 GIEDLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000174564424 822805612 /nfs/dbraw/zinc/80/56/12/822805612.db2.gz RHBZQBFSEZPCJB-UHFFFAOYSA-N 2 2 392.547 4.194 20 30 GIEDLP C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000191495150 823691236 /nfs/dbraw/zinc/69/12/36/823691236.db2.gz OMPWNUBLGURXBX-UHFFFAOYSA-N 2 2 398.595 4.219 20 30 GIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000123109219 823463587 /nfs/dbraw/zinc/46/35/87/823463587.db2.gz FVPMBQXQKJWGCI-UHFFFAOYSA-N 2 2 386.971 4.332 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 ZINC000181574639 821885754 /nfs/dbraw/zinc/88/57/54/821885754.db2.gz IZYQFHLMMIPOOO-NOZRDPDXSA-N 2 2 389.543 4.280 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1 ZINC000181622743 821908113 /nfs/dbraw/zinc/90/81/13/821908113.db2.gz CMJKIEIVMZPCDX-ZEQRLZLVSA-N 2 2 375.516 4.033 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1 ZINC000181622803 821908259 /nfs/dbraw/zinc/90/82/59/821908259.db2.gz CMJKIEIVMZPCDX-DNQXCXABSA-N 2 2 375.516 4.033 20 30 GIEDLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Nc1ccccc1 ZINC000181719394 821959733 /nfs/dbraw/zinc/95/97/33/821959733.db2.gz HULMSCMLTQBTHI-XMMPIXPASA-N 2 2 376.548 4.249 20 30 GIEDLP CC(C)(CCC#N)C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000453578992 822387497 /nfs/dbraw/zinc/38/74/97/822387497.db2.gz WBFONGAGOCLYAC-UHFFFAOYSA-N 2 2 388.987 4.256 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cccc(Br)c3)CC2)cc1 ZINC000459631660 823233079 /nfs/dbraw/zinc/23/30/79/823233079.db2.gz BQVZJJBRMAOBSX-UHFFFAOYSA-N 2 2 398.348 4.117 20 30 GIEDLP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181501790 821855932 /nfs/dbraw/zinc/85/59/32/821855932.db2.gz PEZYIPPKUMTRLN-SFHVURJKSA-N 2 2 393.531 4.199 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 ZINC000181574602 821885878 /nfs/dbraw/zinc/88/58/78/821885878.db2.gz IZYQFHLMMIPOOO-ZCYQVOJMSA-N 2 2 389.543 4.280 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1 ZINC000181609070 821901673 /nfs/dbraw/zinc/90/16/73/821901673.db2.gz APBVNFRNBVOWIT-UHFFFAOYSA-N 2 2 384.321 4.075 20 30 GIEDLP Cc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181887158 822027106 /nfs/dbraw/zinc/02/71/06/822027106.db2.gz DKEKJWYHAKLOPG-UHFFFAOYSA-N 2 2 385.458 4.222 20 30 GIEDLP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181925104 822037688 /nfs/dbraw/zinc/03/76/88/822037688.db2.gz UGECFLMTSLEBRN-UHFFFAOYSA-N 2 2 377.532 4.099 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072028 822082018 /nfs/dbraw/zinc/08/20/18/822082018.db2.gz RNISKTXDLDZJAP-WIOPSUGQSA-N 2 2 389.543 4.280 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000177909824 823545153 /nfs/dbraw/zinc/54/51/53/823545153.db2.gz ARSVFTPCGGVNKJ-IBGZPJMESA-N 2 2 383.561 4.436 20 30 GIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000570700784 823073518 /nfs/dbraw/zinc/07/35/18/823073518.db2.gz VQJFJMHLZLXPBM-VWLOTQADSA-N 2 2 399.542 4.372 20 30 GIEDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273120 823488782 /nfs/dbraw/zinc/48/87/82/823488782.db2.gz RWVLYBDCFFFJTL-XMSQKQJNSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273120 823488786 /nfs/dbraw/zinc/48/87/86/823488786.db2.gz RWVLYBDCFFFJTL-XMSQKQJNSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273120 823488788 /nfs/dbraw/zinc/48/87/88/823488788.db2.gz RWVLYBDCFFFJTL-XMSQKQJNSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273120 823488792 /nfs/dbraw/zinc/48/87/92/823488792.db2.gz RWVLYBDCFFFJTL-XMSQKQJNSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1ccc([C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000181424575 821819380 /nfs/dbraw/zinc/81/93/80/821819380.db2.gz WRIBLMHWNJJBRB-DEOSSOPVSA-N 2 2 375.516 4.272 20 30 GIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000181429777 821822401 /nfs/dbraw/zinc/82/24/01/821822401.db2.gz VSNZLFHQMIYMFD-INIZCTEOSA-N 2 2 385.458 4.475 20 30 GIEDLP CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Nc1ccccc1 ZINC000181719413 821959520 /nfs/dbraw/zinc/95/95/20/821959520.db2.gz HULMSCMLTQBTHI-DEOSSOPVSA-N 2 2 376.548 4.249 20 30 GIEDLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181783906 821990773 /nfs/dbraw/zinc/99/07/73/821990773.db2.gz MJHUAPVDEMQVMS-PMACEKPBSA-N 2 2 393.531 4.140 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(c4ccc(F)cc4F)CC3)CC2)cc1 ZINC000182089230 822088736 /nfs/dbraw/zinc/08/87/36/822088736.db2.gz JINDXEKVCUYDLH-UHFFFAOYSA-N 2 2 381.470 4.122 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCOc4cc(F)ccc43)CC2)cc1 ZINC000179967463 822587349 /nfs/dbraw/zinc/58/73/49/822587349.db2.gz WHFIECATJGPBAJ-JOCHJYFZSA-N 2 2 379.479 4.165 20 30 GIEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769164 822819551 /nfs/dbraw/zinc/81/95/51/822819551.db2.gz DOSFMGXKZKAVQU-YOEHRIQHSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769164 822819555 /nfs/dbraw/zinc/81/95/55/822819555.db2.gz DOSFMGXKZKAVQU-YOEHRIQHSA-N 2 2 376.342 4.063 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000177907835 823544803 /nfs/dbraw/zinc/54/48/03/823544803.db2.gz HCQDULOEGJGPPS-LJQANCHMSA-N 2 2 381.358 4.157 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191511757 823693800 /nfs/dbraw/zinc/69/38/00/823693800.db2.gz AWRPYIOYMFVYQU-HXUWFJFHSA-N 2 2 393.369 4.157 20 30 GIEDLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164792603 721493858 /nfs/dbraw/zinc/49/38/58/721493858.db2.gz RYEQTXDDYFIIEL-UHFFFAOYSA-N 2 2 397.526 4.382 20 30 GIEDLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164792603 721493859 /nfs/dbraw/zinc/49/38/59/721493859.db2.gz RYEQTXDDYFIIEL-UHFFFAOYSA-N 2 2 397.526 4.382 20 30 GIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000570700782 823073350 /nfs/dbraw/zinc/07/33/50/823073350.db2.gz VQJFJMHLZLXPBM-RUZDIDTESA-N 2 2 399.542 4.372 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCOc3ccc(F)cc3)CC2)cc1 ZINC000181479328 821844612 /nfs/dbraw/zinc/84/46/12/821844612.db2.gz CCYPDVPUAKSBET-UHFFFAOYSA-N 2 2 381.495 4.111 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110579 822098099 /nfs/dbraw/zinc/09/80/99/822098099.db2.gz CMABDEYQRDSWIL-DHIUTWEWSA-N 2 2 395.934 4.296 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCOc4c(F)cccc43)CC2)cc1 ZINC000181329739 821762444 /nfs/dbraw/zinc/76/24/44/821762444.db2.gz DUAYDOLRSQWTII-JOCHJYFZSA-N 2 2 379.479 4.165 20 30 GIEDLP CC1CC[NH+](C2CCC([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000182065846 822079522 /nfs/dbraw/zinc/07/95/22/822079522.db2.gz BYEADTKOTJVSKC-UHFFFAOYSA-N 3 2 394.607 4.155 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000183332904 822460302 /nfs/dbraw/zinc/46/03/02/822460302.db2.gz RVVWPMMEYWADRP-JOCHJYFZSA-N 2 2 394.950 4.045 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCCCC4)c[nH+]3)CC2)cc1 ZINC000179924012 822577950 /nfs/dbraw/zinc/57/79/50/822577950.db2.gz BIIYSIHDEFWFLS-UHFFFAOYSA-N 2 2 375.520 4.020 20 30 GIEDLP N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000411421256 823572260 /nfs/dbraw/zinc/57/22/60/823572260.db2.gz WBEDJFZZYLSAPP-DEOSSOPVSA-N 2 2 375.516 4.118 20 30 GIEDLP N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000411421256 823572265 /nfs/dbraw/zinc/57/22/65/823572265.db2.gz WBEDJFZZYLSAPP-DEOSSOPVSA-N 2 2 375.516 4.118 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCOc4c(F)cccc43)CC2)cc1 ZINC000181329713 821762506 /nfs/dbraw/zinc/76/25/06/821762506.db2.gz DUAYDOLRSQWTII-QFIPXVFZSA-N 2 2 379.479 4.165 20 30 GIEDLP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181421014 821817248 /nfs/dbraw/zinc/81/72/48/821817248.db2.gz RNHWISRVGBGYFP-UHFFFAOYSA-N 3 2 390.575 4.154 20 30 GIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000181509234 821859818 /nfs/dbraw/zinc/85/98/18/821859818.db2.gz YREYEJVIDXUSGT-MRXNPFEDSA-N 2 2 385.458 4.475 20 30 GIEDLP CCCC(=O)Nc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181514276 821862342 /nfs/dbraw/zinc/86/23/42/821862342.db2.gz WDYRCEDONJDVMX-UHFFFAOYSA-N 2 2 390.531 4.051 20 30 GIEDLP CCOc1cccc(/C=[NH+]/CCCOC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000176414072 823203096 /nfs/dbraw/zinc/20/30/96/823203096.db2.gz WATACCWSYNEWGH-XIEYBQDHSA-N 2 2 396.531 4.281 20 30 GIEDLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599369 823205900 /nfs/dbraw/zinc/20/59/00/823205900.db2.gz XNVSVNIRVHLFFQ-SZVBFZGTSA-N 2 2 378.442 4.121 20 30 GIEDLP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599369 823205904 /nfs/dbraw/zinc/20/59/04/823205904.db2.gz XNVSVNIRVHLFFQ-SZVBFZGTSA-N 2 2 378.442 4.121 20 30 GIEDLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181783945 821990813 /nfs/dbraw/zinc/99/08/13/821990813.db2.gz MJHUAPVDEMQVMS-UXHICEINSA-N 2 2 393.531 4.140 20 30 GIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1-n1cccn1 ZINC000181897438 822030101 /nfs/dbraw/zinc/03/01/01/822030101.db2.gz ZSVYVMUSVSUCQV-IBGZPJMESA-N 2 2 385.515 4.059 20 30 GIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1-n1cccn1 ZINC000181897456 822030289 /nfs/dbraw/zinc/03/02/89/822030289.db2.gz ZSVYVMUSVSUCQV-LJQANCHMSA-N 2 2 385.515 4.059 20 30 GIEDLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181495290 821852606 /nfs/dbraw/zinc/85/26/06/821852606.db2.gz FHEMVMIYZZWVGQ-UHFFFAOYSA-N 3 2 390.575 4.153 20 30 GIEDLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181495290 821852615 /nfs/dbraw/zinc/85/26/15/821852615.db2.gz FHEMVMIYZZWVGQ-UHFFFAOYSA-N 3 2 390.575 4.153 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OC4CCCC4)nc3)CC2)cc1 ZINC000181524900 821866458 /nfs/dbraw/zinc/86/64/58/821866458.db2.gz PTJZZFHSYNORLQ-UHFFFAOYSA-N 2 2 390.531 4.029 20 30 GIEDLP CCCOCc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181529993 821868013 /nfs/dbraw/zinc/86/80/13/821868013.db2.gz DSXWZXCCBGGQDN-UHFFFAOYSA-N 2 2 377.532 4.239 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000181596916 821896723 /nfs/dbraw/zinc/89/67/23/821896723.db2.gz ZVBZCYPUXDEYNA-NRFANRHFSA-N 2 2 381.520 4.488 20 30 GIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2)c1 ZINC000181886140 822026781 /nfs/dbraw/zinc/02/67/81/822026781.db2.gz GKLNPOUOYQUIQP-FQEVSTJZSA-N 2 2 388.559 4.474 20 30 GIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1Cl ZINC000181996511 822057342 /nfs/dbraw/zinc/05/73/42/822057342.db2.gz NRWWKPRIHLKGGC-QGZVFWFLSA-N 2 2 383.923 4.233 20 30 GIEDLP Cc1ccc(OCCCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181522216 821865260 /nfs/dbraw/zinc/86/52/60/821865260.db2.gz KXOPSVQUJRKEGP-UHFFFAOYSA-N 2 2 377.532 4.280 20 30 GIEDLP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181813457 822003499 /nfs/dbraw/zinc/00/34/99/822003499.db2.gz IUJMPCNYOKFINO-LJQANCHMSA-N 2 2 377.532 4.315 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000177912182 823545469 /nfs/dbraw/zinc/54/54/69/823545469.db2.gz LLDAZQUGCKKVIC-LBPRGKRZSA-N 2 2 376.394 4.190 20 30 GIEDLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCCc4cc(C#N)ccc43)[nH+]c2)CC1 ZINC000571227582 823151881 /nfs/dbraw/zinc/15/18/81/823151881.db2.gz GGTWLVUSGSTWOC-HSZRJFAPSA-N 2 2 389.547 4.363 20 30 GIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000181429798 821822482 /nfs/dbraw/zinc/82/24/82/821822482.db2.gz VSNZLFHQMIYMFD-MRXNPFEDSA-N 2 2 385.458 4.475 20 30 GIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1Cl ZINC000181996494 822057316 /nfs/dbraw/zinc/05/73/16/822057316.db2.gz NRWWKPRIHLKGGC-KRWDZBQOSA-N 2 2 383.923 4.233 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000177907710 823544724 /nfs/dbraw/zinc/54/47/24/823544724.db2.gz QINWVWTVBKMLDL-XMMPIXPASA-N 2 2 380.532 4.228 20 30 GIEDLP Cn1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC000190949144 823629094 /nfs/dbraw/zinc/62/90/94/823629094.db2.gz OCSQQLHEWYTRJF-UHFFFAOYSA-N 2 2 381.483 4.098 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(OC4CCCC4)c3)CC2)cc1 ZINC000181486232 821847803 /nfs/dbraw/zinc/84/78/03/821847803.db2.gz ZTYLPCDYNQVXLW-UHFFFAOYSA-N 2 2 390.531 4.029 20 30 GIEDLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181609137 821901851 /nfs/dbraw/zinc/90/18/51/821901851.db2.gz XNDXIFQMOWAONO-UHFFFAOYSA-N 3 2 390.575 4.153 20 30 GIEDLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181609137 821901855 /nfs/dbraw/zinc/90/18/55/821901855.db2.gz XNDXIFQMOWAONO-UHFFFAOYSA-N 3 2 390.575 4.153 20 30 GIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(-n2cccn2)c1 ZINC000181843593 822014972 /nfs/dbraw/zinc/01/49/72/822014972.db2.gz IBXDMVOZIXZVND-IBGZPJMESA-N 2 2 385.515 4.059 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCOc4cc(F)ccc43)CC2)cc1 ZINC000179967477 822587331 /nfs/dbraw/zinc/58/73/31/822587331.db2.gz WHFIECATJGPBAJ-QFIPXVFZSA-N 2 2 379.479 4.165 20 30 GIEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@H]21 ZINC001165029509 721808774 /nfs/dbraw/zinc/80/87/74/721808774.db2.gz ZOCMSSDQLZVGEX-TUACAJSNSA-N 2 2 397.526 4.238 20 30 GIEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@H]21 ZINC001165029509 721808775 /nfs/dbraw/zinc/80/87/75/721808775.db2.gz ZOCMSSDQLZVGEX-TUACAJSNSA-N 2 2 397.526 4.238 20 30 GIEDLP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181431268 821823425 /nfs/dbraw/zinc/82/34/25/821823425.db2.gz YFJMOHXANYVBND-UHFFFAOYSA-N 2 2 385.511 4.474 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(Sc4ccccc4)CC3)CC2)cc1 ZINC000181732555 821966221 /nfs/dbraw/zinc/96/62/21/821966221.db2.gz SKYRORQQNNIXSU-UHFFFAOYSA-N 2 2 377.557 4.437 20 30 GIEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)cc(C(F)(F)F)c1 ZINC000459480870 823201469 /nfs/dbraw/zinc/20/14/69/823201469.db2.gz PSANSFUBDUOWAV-ZULIPRJHSA-N 2 2 390.453 4.269 20 30 GIEDLP COc1ccc([C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000181424555 821819506 /nfs/dbraw/zinc/81/95/06/821819506.db2.gz WRIBLMHWNJJBRB-XMMPIXPASA-N 2 2 375.516 4.272 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(Br)cs3)CC2)cc1 ZINC000181523686 821865953 /nfs/dbraw/zinc/86/59/53/821865953.db2.gz JXIPSCMJSGESRT-UHFFFAOYSA-N 2 2 390.350 4.136 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000183332921 822460225 /nfs/dbraw/zinc/46/02/25/822460225.db2.gz RVVWPMMEYWADRP-QFIPXVFZSA-N 2 2 394.950 4.045 20 30 GIEDLP C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000179552952 822502228 /nfs/dbraw/zinc/50/22/28/822502228.db2.gz QVKHIAKDXYIFFK-HUVFLSCGSA-N 2 2 397.607 4.142 20 30 GIEDLP C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000179552952 822502229 /nfs/dbraw/zinc/50/22/29/822502229.db2.gz QVKHIAKDXYIFFK-HUVFLSCGSA-N 2 2 397.607 4.142 20 30 GIEDLP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181624881 821908978 /nfs/dbraw/zinc/90/89/78/821908978.db2.gz ZWOBHHHVPHXUAW-IBGZPJMESA-N 2 2 377.532 4.142 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(c4cccc(Cl)c4)C3)CC2)cc1 ZINC000181866489 822020891 /nfs/dbraw/zinc/02/08/91/822020891.db2.gz HGRXHCUSVSXOSX-JOCHJYFZSA-N 2 2 394.950 4.045 20 30 GIEDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000182004657 822059832 /nfs/dbraw/zinc/05/98/32/822059832.db2.gz SGZRBMACRREUMZ-KRWDZBQOSA-N 2 2 378.476 4.090 20 30 GIEDLP C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000191487033 823690208 /nfs/dbraw/zinc/69/02/08/823690208.db2.gz DPFJHQPICUZCHZ-UHFFFAOYSA-N 2 2 386.584 4.028 20 30 GIEDLP C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000191487033 823690209 /nfs/dbraw/zinc/69/02/09/823690209.db2.gz DPFJHQPICUZCHZ-UHFFFAOYSA-N 2 2 386.584 4.028 20 30 GIEDLP CC(C)(C#N)CCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459499798 823205233 /nfs/dbraw/zinc/20/52/33/823205233.db2.gz CGQPVULCCAQSPB-UHFFFAOYSA-N 2 2 388.987 4.256 20 30 GIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000177578904 823495532 /nfs/dbraw/zinc/49/55/32/823495532.db2.gz NMGRWAASANPXHQ-UHFFFAOYSA-N 2 2 382.552 4.054 20 30 GIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(-n2cccn2)c1 ZINC000181843609 822015005 /nfs/dbraw/zinc/01/50/05/822015005.db2.gz IBXDMVOZIXZVND-LJQANCHMSA-N 2 2 385.515 4.059 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072065 822082082 /nfs/dbraw/zinc/08/20/82/822082082.db2.gz RNISKTXDLDZJAP-RCZVLFRGSA-N 2 2 389.543 4.280 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110648 822098068 /nfs/dbraw/zinc/09/80/68/822098068.db2.gz CMABDEYQRDSWIL-GOTSBHOMSA-N 2 2 395.934 4.296 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000178802408 822411707 /nfs/dbraw/zinc/41/17/07/822411707.db2.gz VRLCLPJZPUXXDC-PXNSSMCTSA-N 2 2 376.516 4.075 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000177912199 823545425 /nfs/dbraw/zinc/54/54/25/823545425.db2.gz LLDAZQUGCKKVIC-GFCCVEGCSA-N 2 2 376.394 4.190 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1 ZINC000181622766 821908243 /nfs/dbraw/zinc/90/82/43/821908243.db2.gz CMJKIEIVMZPCDX-BJKOFHAPSA-N 2 2 375.516 4.033 20 30 GIEDLP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000181898885 822030680 /nfs/dbraw/zinc/03/06/80/822030680.db2.gz QZSQYMTVAODLFW-UHFFFAOYSA-N 2 2 383.923 4.017 20 30 GIEDLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000182764971 822364126 /nfs/dbraw/zinc/36/41/26/822364126.db2.gz FBMYNCNSGQPIGF-UHFFFAOYSA-N 2 2 390.597 4.009 20 30 GIEDLP Cn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180079061 822610973 /nfs/dbraw/zinc/61/09/73/822610973.db2.gz YNPFWYTYTVZODQ-UHFFFAOYSA-N 2 2 399.542 4.055 20 30 GIEDLP Cn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180079061 822610976 /nfs/dbraw/zinc/61/09/76/822610976.db2.gz YNPFWYTYTVZODQ-UHFFFAOYSA-N 2 2 399.542 4.055 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3OC(F)(F)F)CC2)cc1 ZINC000181424360 821819444 /nfs/dbraw/zinc/81/94/44/821819444.db2.gz UVWZFOLCIORIDQ-UHFFFAOYSA-N 2 2 389.421 4.211 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000181486089 821847446 /nfs/dbraw/zinc/84/74/46/821847446.db2.gz ITBAGOZCQSTATD-OAQYLSRUSA-N 2 2 381.520 4.488 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000181486070 821847547 /nfs/dbraw/zinc/84/75/47/821847547.db2.gz ITBAGOZCQSTATD-NRFANRHFSA-N 2 2 381.520 4.488 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Br)s3)CC2)cc1 ZINC000181587465 821891779 /nfs/dbraw/zinc/89/17/79/821891779.db2.gz UIPFZFIPZWNOAS-UHFFFAOYSA-N 2 2 390.350 4.136 20 30 GIEDLP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181624900 821909630 /nfs/dbraw/zinc/90/96/30/821909630.db2.gz ZWOBHHHVPHXUAW-LJQANCHMSA-N 2 2 377.532 4.142 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(Br)cc3)CC2)cc1 ZINC000181767264 821984196 /nfs/dbraw/zinc/98/41/96/821984196.db2.gz YEGAMEOZKYVGCT-UHFFFAOYSA-N 2 2 398.348 4.117 20 30 GIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000181842593 822014645 /nfs/dbraw/zinc/01/46/45/822014645.db2.gz UHOZIPQHSMCWNS-LJQANCHMSA-N 2 2 385.515 4.059 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110601 822097931 /nfs/dbraw/zinc/09/79/31/822097931.db2.gz CMABDEYQRDSWIL-XZOQPEGZSA-N 2 2 395.934 4.296 20 30 GIEDLP N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)cc(C(F)(F)F)c1 ZINC000459480868 823201276 /nfs/dbraw/zinc/20/12/76/823201276.db2.gz PSANSFUBDUOWAV-QGZVKYPTSA-N 2 2 390.453 4.269 20 30 GIEDLP C=C(C)COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1OC ZINC000057967229 823351394 /nfs/dbraw/zinc/35/13/94/823351394.db2.gz NKGHRBQMTATCOM-UHFFFAOYSA-N 2 2 381.451 4.265 20 30 GIEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000180813019 821473652 /nfs/dbraw/zinc/47/36/52/821473652.db2.gz SHXGEAKUAXLARY-UWJYYQICSA-N 2 2 390.487 4.413 20 30 GIEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000180813069 821473799 /nfs/dbraw/zinc/47/37/99/821473799.db2.gz SHXGEAKUAXLARY-DYESRHJHSA-N 2 2 390.487 4.413 20 30 GIEDLP CN(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000181401604 821808194 /nfs/dbraw/zinc/80/81/94/821808194.db2.gz YJFWUZRWRIZFEY-HSZRJFAPSA-N 2 2 396.966 4.069 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000181408016 821810109 /nfs/dbraw/zinc/81/01/09/821810109.db2.gz IKIOTLUWZWTCTL-UHFFFAOYSA-N 2 2 387.449 4.374 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Oc4ccccc4)nc3)CC2)cc1 ZINC000181641805 821919124 /nfs/dbraw/zinc/91/91/24/821919124.db2.gz IJCGZBOMYLCSBU-UHFFFAOYSA-N 2 2 398.510 4.500 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3c[nH]c4ccc(Cl)cc34)CC2)cc1 ZINC000181828518 822009688 /nfs/dbraw/zinc/00/96/88/822009688.db2.gz VFEFFKIWAJTMFL-UHFFFAOYSA-N 2 2 392.934 4.490 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072084 822082294 /nfs/dbraw/zinc/08/22/94/822082294.db2.gz RNISKTXDLDZJAP-RDGATRHJSA-N 2 2 389.543 4.280 20 30 GIEDLP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000124228660 823579233 /nfs/dbraw/zinc/57/92/33/823579233.db2.gz QPUYJVQJVIULBB-JOCHJYFZSA-N 2 2 389.543 4.241 20 30 GIEDLP C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825107 823785646 /nfs/dbraw/zinc/78/56/46/823785646.db2.gz ZWSGOAGSFINVCT-ZBFHGGJFSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191825107 823785652 /nfs/dbraw/zinc/78/56/52/823785652.db2.gz ZWSGOAGSFINVCT-ZBFHGGJFSA-N 2 2 376.342 4.063 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(c4cccc(Cl)c4)C3)CC2)cc1 ZINC000181866471 822020664 /nfs/dbraw/zinc/02/06/64/822020664.db2.gz HGRXHCUSVSXOSX-QFIPXVFZSA-N 2 2 394.950 4.045 20 30 GIEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000181997570 822057705 /nfs/dbraw/zinc/05/77/05/822057705.db2.gz NJAMZUJESUNXCL-JOCHJYFZSA-N 2 2 383.923 4.153 20 30 GIEDLP N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2)c1 ZINC000047703615 822601181 /nfs/dbraw/zinc/60/11/81/822601181.db2.gz ZZNXWHNNTMRMMP-UHFFFAOYSA-N 2 2 398.510 4.291 20 30 GIEDLP N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000411409204 823571275 /nfs/dbraw/zinc/57/12/75/823571275.db2.gz AOUAXLBFMKTPLD-DEOSSOPVSA-N 2 2 375.516 4.118 20 30 GIEDLP N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000411409204 823571278 /nfs/dbraw/zinc/57/12/78/823571278.db2.gz AOUAXLBFMKTPLD-DEOSSOPVSA-N 2 2 375.516 4.118 20 30 GIEDLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)c1C ZINC000574335242 823704311 /nfs/dbraw/zinc/70/43/11/823704311.db2.gz YQSWVBBRXXZCCJ-UHFFFAOYSA-N 2 2 385.515 4.437 20 30 GIEDLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181414768 821813264 /nfs/dbraw/zinc/81/32/64/821813264.db2.gz CEOCUNJPCMYBHA-UHFFFAOYSA-N 2 2 399.542 4.115 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000181425106 821820350 /nfs/dbraw/zinc/82/03/50/821820350.db2.gz UDFWDEMRKZSHMG-UHFFFAOYSA-N 2 2 389.421 4.211 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000181596896 821896252 /nfs/dbraw/zinc/89/62/52/821896252.db2.gz ZVBZCYPUXDEYNA-OAQYLSRUSA-N 2 2 381.520 4.488 20 30 GIEDLP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1cccc(F)c1 ZINC000181874377 822022747 /nfs/dbraw/zinc/02/27/47/822022747.db2.gz OPESABVAALEFLB-JOCHJYFZSA-N 2 2 381.495 4.109 20 30 GIEDLP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1cccc(F)c1 ZINC000181874357 822023106 /nfs/dbraw/zinc/02/31/06/822023106.db2.gz OPESABVAALEFLB-QFIPXVFZSA-N 2 2 381.495 4.109 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3OC3CCC3)CC2)cc1 ZINC000181973641 822049917 /nfs/dbraw/zinc/04/99/17/822049917.db2.gz VQJKIUINRAZQCC-UHFFFAOYSA-N 2 2 375.516 4.244 20 30 GIEDLP COc1cccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182055954 822076605 /nfs/dbraw/zinc/07/66/05/822076605.db2.gz UYMSFIPGSVGQOU-UHFFFAOYSA-N 2 2 377.532 4.099 20 30 GIEDLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000569254830 822897213 /nfs/dbraw/zinc/89/72/13/822897213.db2.gz WUPCSNKIIGCFHD-SFHVURJKSA-N 2 2 393.531 4.199 20 30 GIEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc(C(F)(F)F)c1 ZINC000459480869 823201433 /nfs/dbraw/zinc/20/14/33/823201433.db2.gz PSANSFUBDUOWAV-TZRIAGMCSA-N 2 2 390.453 4.269 20 30 GIEDLP COc1ccc2cc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000181425175 821820101 /nfs/dbraw/zinc/82/01/01/821820101.db2.gz KQNHSEKYGSRAJH-UHFFFAOYSA-N 2 2 385.511 4.474 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1 ZINC000181622783 821908343 /nfs/dbraw/zinc/90/83/43/821908343.db2.gz CMJKIEIVMZPCDX-RPWUZVMVSA-N 2 2 375.516 4.033 20 30 GIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000181842574 822014533 /nfs/dbraw/zinc/01/45/33/822014533.db2.gz UHOZIPQHSMCWNS-IBGZPJMESA-N 2 2 385.515 4.059 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000178802417 822411827 /nfs/dbraw/zinc/41/18/27/822411827.db2.gz VRLCLPJZPUXXDC-XLIONFOSSA-N 2 2 376.516 4.075 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000178802439 822411966 /nfs/dbraw/zinc/41/19/66/822411966.db2.gz VRLCLPJZPUXXDC-YLJYHZDGSA-N 2 2 376.516 4.075 20 30 GIEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769185 822819498 /nfs/dbraw/zinc/81/94/98/822819498.db2.gz DOSFMGXKZKAVQU-PBHICJAKSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769185 822819500 /nfs/dbraw/zinc/81/95/00/822819500.db2.gz DOSFMGXKZKAVQU-PBHICJAKSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769145 822819623 /nfs/dbraw/zinc/81/96/23/822819623.db2.gz DOSFMGXKZKAVQU-RHSMWYFYSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769145 822819626 /nfs/dbraw/zinc/81/96/26/822819626.db2.gz DOSFMGXKZKAVQU-RHSMWYFYSA-N 2 2 376.342 4.063 20 30 GIEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc(C(F)(F)F)c1 ZINC000459480867 823201265 /nfs/dbraw/zinc/20/12/65/823201265.db2.gz PSANSFUBDUOWAV-HNJRGHQBSA-N 2 2 390.453 4.269 20 30 GIEDLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599368 823205834 /nfs/dbraw/zinc/20/58/34/823205834.db2.gz XNVSVNIRVHLFFQ-SUMDDJOVSA-N 2 2 378.442 4.121 20 30 GIEDLP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599368 823205836 /nfs/dbraw/zinc/20/58/36/823205836.db2.gz XNVSVNIRVHLFFQ-SUMDDJOVSA-N 2 2 378.442 4.121 20 30 GIEDLP Cc1ccc2c(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn(C)c2c1 ZINC000188698568 823288320 /nfs/dbraw/zinc/28/83/20/823288320.db2.gz CVBIUKHSTKRWEM-UHFFFAOYSA-N 2 2 386.543 4.155 20 30 GIEDLP CCCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181517367 821863437 /nfs/dbraw/zinc/86/34/37/821863437.db2.gz MYGXSTILORKQEU-UHFFFAOYSA-N 2 2 390.531 4.051 20 30 GIEDLP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181529524 821867815 /nfs/dbraw/zinc/86/78/15/821867815.db2.gz GASAVXZHGLDJPG-UHFFFAOYSA-N 3 2 390.575 4.154 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000181574620 821885721 /nfs/dbraw/zinc/88/57/21/821885721.db2.gz IZYQFHLMMIPOOO-ILBGXUMGSA-N 2 2 389.543 4.280 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(Br)c3)CC2)cc1 ZINC000181626635 821910752 /nfs/dbraw/zinc/91/07/52/821910752.db2.gz OSWJQBBOUVVUFM-UHFFFAOYSA-N 2 2 384.321 4.075 20 30 GIEDLP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1F ZINC000181858069 822018425 /nfs/dbraw/zinc/01/84/25/822018425.db2.gz YFIVUJAIASEIPT-OAQYLSRUSA-N 2 2 381.495 4.109 20 30 GIEDLP Cc1cc(C)n(-c2ccccc2C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181899314 822030604 /nfs/dbraw/zinc/03/06/04/822030604.db2.gz ZZCRTJGULAMDKV-UHFFFAOYSA-N 2 2 399.542 4.115 20 30 GIEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769124 822819651 /nfs/dbraw/zinc/81/96/51/822819651.db2.gz DOSFMGXKZKAVQU-WMLDXEAASA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769124 822819654 /nfs/dbraw/zinc/81/96/54/822819654.db2.gz DOSFMGXKZKAVQU-WMLDXEAASA-N 2 2 376.342 4.063 20 30 GIEDLP N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000411421258 823572247 /nfs/dbraw/zinc/57/22/47/823572247.db2.gz WBEDJFZZYLSAPP-XMMPIXPASA-N 2 2 375.516 4.118 20 30 GIEDLP N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000411421258 823572251 /nfs/dbraw/zinc/57/22/51/823572251.db2.gz WBEDJFZZYLSAPP-XMMPIXPASA-N 2 2 375.516 4.118 20 30 GIEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000187716207 823119170 /nfs/dbraw/zinc/11/91/70/823119170.db2.gz SKHSFAKMYIDLAD-UHFFFAOYSA-N 2 2 385.446 4.023 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCSc3ccc(F)cc3)CC2)cc1 ZINC000181399869 821807069 /nfs/dbraw/zinc/80/70/69/821807069.db2.gz GOJQAWFSQWCALP-UHFFFAOYSA-N 2 2 383.536 4.434 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000181574581 821885775 /nfs/dbraw/zinc/88/57/75/821885775.db2.gz IZYQFHLMMIPOOO-UKILVPOCSA-N 2 2 389.543 4.280 20 30 GIEDLP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1F ZINC000181858047 822018325 /nfs/dbraw/zinc/01/83/25/822018325.db2.gz YFIVUJAIASEIPT-NRFANRHFSA-N 2 2 381.495 4.109 20 30 GIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2)c1 ZINC000181886154 822026696 /nfs/dbraw/zinc/02/66/96/822026696.db2.gz GKLNPOUOYQUIQP-HXUWFJFHSA-N 2 2 388.559 4.474 20 30 GIEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@H]21 ZINC001165029497 721808791 /nfs/dbraw/zinc/80/87/91/721808791.db2.gz ZOCMSSDQLZVGEX-AGILITTLSA-N 2 2 397.526 4.238 20 30 GIEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@H]21 ZINC001165029497 721808793 /nfs/dbraw/zinc/80/87/93/721808793.db2.gz ZOCMSSDQLZVGEX-AGILITTLSA-N 2 2 397.526 4.238 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCSCc3ccccc3F)CC2)cc1 ZINC000181411564 821811846 /nfs/dbraw/zinc/81/18/46/821811846.db2.gz BKIVPRURIKATIM-UHFFFAOYSA-N 2 2 383.536 4.185 20 30 GIEDLP CC(C)c1ccccc1OCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181950025 822043282 /nfs/dbraw/zinc/04/32/82/822043282.db2.gz UOKKUTZQOGWGRT-UHFFFAOYSA-N 2 2 377.532 4.315 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000178802426 822411886 /nfs/dbraw/zinc/41/18/86/822411886.db2.gz VRLCLPJZPUXXDC-FXAWDEMLSA-N 2 2 376.516 4.075 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000186849235 822967271 /nfs/dbraw/zinc/96/72/71/822967271.db2.gz FXXCUXXNDCEQJG-NRFANRHFSA-N 2 2 387.449 4.458 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000177907697 823544812 /nfs/dbraw/zinc/54/48/12/823544812.db2.gz QINWVWTVBKMLDL-DEOSSOPVSA-N 2 2 380.532 4.228 20 30 GIEDLP C=C(C)COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OC ZINC000057961254 823350784 /nfs/dbraw/zinc/35/07/84/823350784.db2.gz TUQWRCPPBGRHPB-UHFFFAOYSA-N 2 2 377.488 4.185 20 30 GIEDLP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181501771 821856034 /nfs/dbraw/zinc/85/60/34/821856034.db2.gz PEZYIPPKUMTRLN-GOSISDBHSA-N 2 2 393.531 4.199 20 30 GIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181554281 821879175 /nfs/dbraw/zinc/87/91/75/821879175.db2.gz GVWKKBKWODDUBS-JOCHJYFZSA-N 2 2 391.515 4.035 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3OCC3CC3)CC2)cc1 ZINC000181786968 821992146 /nfs/dbraw/zinc/99/21/46/821992146.db2.gz FOIOCKLQRAHHHU-UHFFFAOYSA-N 2 2 375.516 4.101 20 30 GIEDLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000569254829 822897096 /nfs/dbraw/zinc/89/70/96/822897096.db2.gz WUPCSNKIIGCFHD-GOSISDBHSA-N 2 2 393.531 4.199 20 30 GIEDLP C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825066 823784837 /nfs/dbraw/zinc/78/48/37/823784837.db2.gz ZWSGOAGSFINVCT-GOEBONIOSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191825066 823784845 /nfs/dbraw/zinc/78/48/45/823784845.db2.gz ZWSGOAGSFINVCT-GOEBONIOSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825096 823785666 /nfs/dbraw/zinc/78/56/66/823785666.db2.gz ZWSGOAGSFINVCT-HOCLYGCPSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191825096 823785672 /nfs/dbraw/zinc/78/56/72/823785672.db2.gz ZWSGOAGSFINVCT-HOCLYGCPSA-N 2 2 376.342 4.063 20 30 GIEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@@H]21 ZINC001165029505 721808927 /nfs/dbraw/zinc/80/89/27/721808927.db2.gz ZOCMSSDQLZVGEX-NKKJXINNSA-N 2 2 397.526 4.238 20 30 GIEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@@H]21 ZINC001165029505 721808928 /nfs/dbraw/zinc/80/89/28/721808928.db2.gz ZOCMSSDQLZVGEX-NKKJXINNSA-N 2 2 397.526 4.238 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000459667710 823246080 /nfs/dbraw/zinc/24/60/80/823246080.db2.gz OIAWCQLXKAGENV-WIYYLYMNSA-N 2 2 383.898 4.461 20 30 GIEDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273363 823488751 /nfs/dbraw/zinc/48/87/51/823488751.db2.gz RWVLYBDCFFFJTL-PGRDOPGGSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273363 823488755 /nfs/dbraw/zinc/48/87/55/823488755.db2.gz RWVLYBDCFFFJTL-PGRDOPGGSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273363 823488760 /nfs/dbraw/zinc/48/87/60/823488760.db2.gz RWVLYBDCFFFJTL-PGRDOPGGSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273363 823488763 /nfs/dbraw/zinc/48/87/63/823488763.db2.gz RWVLYBDCFFFJTL-PGRDOPGGSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273820 823489121 /nfs/dbraw/zinc/48/91/21/823489121.db2.gz RWVLYBDCFFFJTL-AVRDEDQJSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273820 823489122 /nfs/dbraw/zinc/48/91/22/823489122.db2.gz RWVLYBDCFFFJTL-AVRDEDQJSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273820 823489123 /nfs/dbraw/zinc/48/91/23/823489123.db2.gz RWVLYBDCFFFJTL-AVRDEDQJSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273820 823489124 /nfs/dbraw/zinc/48/91/24/823489124.db2.gz RWVLYBDCFFFJTL-AVRDEDQJSA-N 2 2 393.531 4.060 20 30 GIEDLP CN(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000181401581 821808090 /nfs/dbraw/zinc/80/80/90/821808090.db2.gz YJFWUZRWRIZFEY-QHCPKHFHSA-N 2 2 396.966 4.069 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000181502710 821856429 /nfs/dbraw/zinc/85/64/29/821856429.db2.gz LEQWHGQHMFVYBF-UHFFFAOYSA-N 2 2 391.412 4.470 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3nc4c(s3)CCCC4)CC2)cc1 ZINC000181665621 821931930 /nfs/dbraw/zinc/93/19/30/821931930.db2.gz HZFFCJRVBVAYJL-UHFFFAOYSA-N 2 2 394.588 4.080 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110626 822097946 /nfs/dbraw/zinc/09/79/46/822097946.db2.gz CMABDEYQRDSWIL-PKTZIBPZSA-N 2 2 395.934 4.296 20 30 GIEDLP C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000179553037 822502188 /nfs/dbraw/zinc/50/21/88/822502188.db2.gz QVKHIAKDXYIFFK-QDSKXPNFSA-N 2 2 397.607 4.142 20 30 GIEDLP C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000179553037 822502190 /nfs/dbraw/zinc/50/21/90/822502190.db2.gz QVKHIAKDXYIFFK-QDSKXPNFSA-N 2 2 397.607 4.142 20 30 GIEDLP COc1ccccc1C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000183960254 822554151 /nfs/dbraw/zinc/55/41/51/822554151.db2.gz NTRWJSKQESGOLU-UHFFFAOYSA-N 2 2 389.543 4.243 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191511776 823693819 /nfs/dbraw/zinc/69/38/19/823693819.db2.gz AWRPYIOYMFVYQU-FQEVSTJZSA-N 2 2 393.369 4.157 20 30 GIEDLP C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825082 823785529 /nfs/dbraw/zinc/78/55/29/823785529.db2.gz ZWSGOAGSFINVCT-GDBMZVCRSA-N 2 2 376.342 4.063 20 30 GIEDLP C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191825082 823785536 /nfs/dbraw/zinc/78/55/36/823785536.db2.gz ZWSGOAGSFINVCT-GDBMZVCRSA-N 2 2 376.342 4.063 20 30 GIEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@@H]21 ZINC001165029502 721808943 /nfs/dbraw/zinc/80/89/43/721808943.db2.gz ZOCMSSDQLZVGEX-FGCOXFRFSA-N 2 2 397.526 4.238 20 30 GIEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@@H]21 ZINC001165029502 721808945 /nfs/dbraw/zinc/80/89/45/721808945.db2.gz ZOCMSSDQLZVGEX-FGCOXFRFSA-N 2 2 397.526 4.238 20 30 GIEDLP N#Cc1csc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000571128116 823137148 /nfs/dbraw/zinc/13/71/48/823137148.db2.gz JPBBVKWUGOSEEN-UHFFFAOYSA-N 2 2 385.496 4.216 20 30 GIEDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273599 823488634 /nfs/dbraw/zinc/48/86/34/823488634.db2.gz RWVLYBDCFFFJTL-GCJKJVERSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273599 823488639 /nfs/dbraw/zinc/48/86/39/823488639.db2.gz RWVLYBDCFFFJTL-GCJKJVERSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273599 823488641 /nfs/dbraw/zinc/48/86/41/823488641.db2.gz RWVLYBDCFFFJTL-GCJKJVERSA-N 2 2 393.531 4.060 20 30 GIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273599 823488645 /nfs/dbraw/zinc/48/86/45/823488645.db2.gz RWVLYBDCFFFJTL-GCJKJVERSA-N 2 2 393.531 4.060 20 30 GIEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000180813051 821473707 /nfs/dbraw/zinc/47/37/07/821473707.db2.gz SHXGEAKUAXLARY-UTKZUKDTSA-N 2 2 390.487 4.413 20 30 GIEDLP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181421572 821817918 /nfs/dbraw/zinc/81/79/18/821817918.db2.gz WUBBMIUETJEZRT-UHFFFAOYSA-N 3 2 390.575 4.154 20 30 GIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000181509218 821860035 /nfs/dbraw/zinc/86/00/35/821860035.db2.gz YREYEJVIDXUSGT-INIZCTEOSA-N 2 2 385.458 4.475 20 30 GIEDLP CN(CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181553197 821878803 /nfs/dbraw/zinc/87/88/03/821878803.db2.gz QBKRDFIAFOCYGC-UHFFFAOYSA-N 2 2 376.548 4.029 20 30 GIEDLP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000124228868 823579310 /nfs/dbraw/zinc/57/93/10/823579310.db2.gz QPUYJVQJVIULBB-QFIPXVFZSA-N 2 2 389.543 4.241 20 30 GIEDLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599367 823205864 /nfs/dbraw/zinc/20/58/64/823205864.db2.gz XNVSVNIRVHLFFQ-KVSKMBFKSA-N 2 2 378.442 4.121 20 30 GIEDLP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599367 823205866 /nfs/dbraw/zinc/20/58/66/823205866.db2.gz XNVSVNIRVHLFFQ-KVSKMBFKSA-N 2 2 378.442 4.121 20 30 GIEDLP C=C(C)COc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1OC ZINC000057962135 823350878 /nfs/dbraw/zinc/35/08/78/823350878.db2.gz MEFPRSHKBHHWOI-UHFFFAOYSA-N 2 2 377.488 4.185 20 30 GIEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000180813035 821473691 /nfs/dbraw/zinc/47/36/91/821473691.db2.gz SHXGEAKUAXLARY-LAUBAEHRSA-N 2 2 390.487 4.413 20 30 GIEDLP C[C@H](OCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181420332 821817426 /nfs/dbraw/zinc/81/74/26/821817426.db2.gz BYOHGXZVHVWVDZ-FQEVSTJZSA-N 2 2 377.532 4.280 20 30 GIEDLP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181813437 822003589 /nfs/dbraw/zinc/00/35/89/822003589.db2.gz IUJMPCNYOKFINO-IBGZPJMESA-N 2 2 377.532 4.315 20 30 GIEDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000182004636 822059660 /nfs/dbraw/zinc/05/96/60/822059660.db2.gz SGZRBMACRREUMZ-QGZVFWFLSA-N 2 2 378.476 4.090 20 30 GIEDLP CCCOc1cccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182041136 822070967 /nfs/dbraw/zinc/07/09/67/822070967.db2.gz ZMWCTXGQRULYKH-UHFFFAOYSA-N 2 2 377.532 4.144 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000177907820 823544820 /nfs/dbraw/zinc/54/48/20/823544820.db2.gz HCQDULOEGJGPPS-IBGZPJMESA-N 2 2 381.358 4.157 20 30 GIEDLP CCc1cccc2c(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000181737488 821969390 /nfs/dbraw/zinc/96/93/90/821969390.db2.gz MTVLBVWWYICVPI-UHFFFAOYSA-N 2 2 386.543 4.399 20 30 GIEDLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181783966 821990937 /nfs/dbraw/zinc/99/09/37/821990937.db2.gz MJHUAPVDEMQVMS-WOJBJXKFSA-N 2 2 393.531 4.140 20 30 GIEDLP N#Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000569534493 822936039 /nfs/dbraw/zinc/93/60/39/822936039.db2.gz ZPQMQYJXCDTESF-UHFFFAOYSA-N 2 2 384.405 4.154 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3N3CCCCC3)CC2)cc1 ZINC000181267603 821725032 /nfs/dbraw/zinc/72/50/32/821725032.db2.gz CURBWJQVQWMAMH-UHFFFAOYSA-N 2 2 388.559 4.303 20 30 GIEDLP C[C@@H](OCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181420470 821817528 /nfs/dbraw/zinc/81/75/28/821817528.db2.gz BYOHGXZVHVWVDZ-HXUWFJFHSA-N 2 2 377.532 4.280 20 30 GIEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181554260 821879207 /nfs/dbraw/zinc/87/92/07/821879207.db2.gz GVWKKBKWODDUBS-QFIPXVFZSA-N 2 2 391.515 4.035 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(-c4ccccn4)c3)CC2)cc1 ZINC000182052115 822074954 /nfs/dbraw/zinc/07/49/54/822074954.db2.gz OBNQMRKVOSQXKP-UHFFFAOYSA-N 2 2 382.511 4.374 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000186849216 822967230 /nfs/dbraw/zinc/96/72/30/822967230.db2.gz FXXCUXXNDCEQJG-OAQYLSRUSA-N 2 2 387.449 4.458 20 30 GIEDLP N#Cc1cccc([C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000411409207 823571258 /nfs/dbraw/zinc/57/12/58/823571258.db2.gz AOUAXLBFMKTPLD-XMMPIXPASA-N 2 2 375.516 4.118 20 30 GIEDLP N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000411409207 823571263 /nfs/dbraw/zinc/57/12/63/823571263.db2.gz AOUAXLBFMKTPLD-XMMPIXPASA-N 2 2 375.516 4.118 20 30 GIEDLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCCc4cc(C#N)ccc43)[nH+]c2)CC1 ZINC000571227583 823151933 /nfs/dbraw/zinc/15/19/33/823151933.db2.gz GGTWLVUSGSTWOC-QHCPKHFHSA-N 2 2 389.547 4.363 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCOCc3ccccc3)CC2)cc1 ZINC000181632249 821913793 /nfs/dbraw/zinc/91/37/93/821913793.db2.gz JOKZQOMZGLIQTO-UHFFFAOYSA-N 2 2 377.532 4.109 20 30 GIEDLP CC(C)(C)c1csc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181709403 821953521 /nfs/dbraw/zinc/95/35/21/821953521.db2.gz HNBJLCPICBNBNK-UHFFFAOYSA-N 2 2 382.577 4.109 20 30 GIEDLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CCOCC1)c1ccccc1 ZINC000181783927 821990717 /nfs/dbraw/zinc/99/07/17/821990717.db2.gz MJHUAPVDEMQVMS-VQTJNVASSA-N 2 2 393.531 4.140 20 30 GIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072046 822082142 /nfs/dbraw/zinc/08/21/42/822082142.db2.gz RNISKTXDLDZJAP-DHLKQENFSA-N 2 2 389.543 4.280 20 30 GIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000177909813 823545283 /nfs/dbraw/zinc/54/52/83/823545283.db2.gz ARSVFTPCGGVNKJ-LJQANCHMSA-N 2 2 383.561 4.436 20 30 GIEDLP