smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310323437 136220591 /nfs/dbraw/zinc/22/05/91/136220591.db2.gz ZMWOHVNIKOYKLY-BXUZGUMPSA-N 2 2 233.359 1.895 10 30 BDEELP Cn1cc[nH+]c1CC[NH2+]CC#Cc1ccccc1 ZINC000051814407 187357671 /nfs/dbraw/zinc/35/76/71/187357671.db2.gz OICZQKFTYDNSAP-UHFFFAOYSA-N 2 2 239.322 1.604 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309544863 347097545 /nfs/dbraw/zinc/09/75/45/347097545.db2.gz ZKHYABKUYPREBF-RYUDHWBXSA-N 2 2 218.304 1.555 10 30 BDEELP Cc1cc(N2CCC(CC[NH3+])CC2)c(C#N)c[nH+]1 ZINC000398973677 353401104 /nfs/dbraw/zinc/40/11/04/353401104.db2.gz BPUNJDDNPIWFEY-UHFFFAOYSA-N 2 2 244.342 1.827 10 30 BDEELP Cc1cc(N2CCC[C@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399057820 353745689 /nfs/dbraw/zinc/74/56/89/353745689.db2.gz KSPPTPLCOAYZEX-LLVKDONJSA-N 2 2 230.315 1.437 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072692 181059726 /nfs/dbraw/zinc/05/97/26/181059726.db2.gz LLNMQUZNNVNQMX-STQMWFEESA-N 2 2 221.348 1.754 10 30 BDEELP Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000398999666 386504694 /nfs/dbraw/zinc/50/46/94/386504694.db2.gz RLBQSRYBYNAMHW-NEPJUHHUSA-N 2 2 244.342 1.484 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250675833 135058487 /nfs/dbraw/zinc/05/84/87/135058487.db2.gz WPJYXVFTUSSPBU-CRWXNKLISA-N 2 2 233.359 1.895 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250675833 135058489 /nfs/dbraw/zinc/05/84/89/135058489.db2.gz WPJYXVFTUSSPBU-CRWXNKLISA-N 2 2 233.359 1.895 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054827511 172397745 /nfs/dbraw/zinc/39/77/45/172397745.db2.gz LZFIRZNYAYSOJU-RYUDHWBXSA-N 2 2 223.364 1.999 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054827507 172398682 /nfs/dbraw/zinc/39/86/82/172398682.db2.gz LZFIRZNYAYSOJU-NEPJUHHUSA-N 2 2 223.364 1.999 10 30 BDEELP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000037647457 173146313 /nfs/dbraw/zinc/14/63/13/173146313.db2.gz WLIJKLWSIVINRT-GFCCVEGCSA-N 2 2 229.327 1.600 10 30 BDEELP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000037647457 173146314 /nfs/dbraw/zinc/14/63/14/173146314.db2.gz WLIJKLWSIVINRT-GFCCVEGCSA-N 2 2 229.327 1.600 10 30 BDEELP COCC[N@H+](CCCC/C(N)=[NH+]/O)CC(C)C ZINC000042369399 174290459 /nfs/dbraw/zinc/29/04/59/174290459.db2.gz GYCNRQPSOHHXDI-UHFFFAOYSA-N 2 2 245.367 1.508 10 30 BDEELP COCC[N@@H+](CCCC/C(N)=[NH+]/O)CC(C)C ZINC000042369399 174290460 /nfs/dbraw/zinc/29/04/60/174290460.db2.gz GYCNRQPSOHHXDI-UHFFFAOYSA-N 2 2 245.367 1.508 10 30 BDEELP CC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399475723 262784521 /nfs/dbraw/zinc/78/45/21/262784521.db2.gz XFMARACUFAVMNF-GFCCVEGCSA-N 2 2 230.315 1.190 10 30 BDEELP CC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399475723 262784523 /nfs/dbraw/zinc/78/45/23/262784523.db2.gz XFMARACUFAVMNF-GFCCVEGCSA-N 2 2 230.315 1.190 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126882992 342799516 /nfs/dbraw/zinc/79/95/16/342799516.db2.gz OOFRYVUJAFOZAV-RKDXNWHRSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126882992 342799517 /nfs/dbraw/zinc/79/95/17/342799517.db2.gz OOFRYVUJAFOZAV-RKDXNWHRSA-N 2 2 233.153 1.564 10 30 BDEELP Cc1cc(N2CCCCC[C@@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000600958187 344461137 /nfs/dbraw/zinc/46/11/37/344461137.db2.gz AQWAHPJJIGQMTJ-CYBMUJFWSA-N 2 2 244.342 1.969 10 30 BDEELP C#CCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000236257065 346216792 /nfs/dbraw/zinc/21/67/92/346216792.db2.gz YOXNROGFJOBSGX-UHFFFAOYSA-N 2 2 216.328 1.861 10 30 BDEELP C#CCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000236257065 346216795 /nfs/dbraw/zinc/21/67/95/346216795.db2.gz YOXNROGFJOBSGX-UHFFFAOYSA-N 2 2 216.328 1.861 10 30 BDEELP Cc1[nH+]cn(CCC[C@@](C)([NH3+])C#N)c1C ZINC000051928056 180286831 /nfs/dbraw/zinc/28/68/31/180286831.db2.gz DCHDGEUWQMZKRG-LLVKDONJSA-N 2 2 206.293 1.521 10 30 BDEELP C=C(Cl)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C ZINC000167975300 351140531 /nfs/dbraw/zinc/14/05/31/351140531.db2.gz XNMAGHCLNXDXPM-GUBZILKMSA-N 2 2 202.729 1.797 10 30 BDEELP C=C(Cl)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C ZINC000167975300 351140533 /nfs/dbraw/zinc/14/05/33/351140533.db2.gz XNMAGHCLNXDXPM-GUBZILKMSA-N 2 2 202.729 1.797 10 30 BDEELP CC#CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000160084035 353252793 /nfs/dbraw/zinc/25/27/93/353252793.db2.gz CYBHDAHJBZJQOD-CYBMUJFWSA-N 2 2 229.327 1.839 10 30 BDEELP CC#CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000160084035 353252795 /nfs/dbraw/zinc/25/27/95/353252795.db2.gz CYBHDAHJBZJQOD-CYBMUJFWSA-N 2 2 229.327 1.839 10 30 BDEELP N#C[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072690 181060118 /nfs/dbraw/zinc/06/01/18/181060118.db2.gz LLNMQUZNNVNQMX-QWHCGFSZSA-N 2 2 221.348 1.754 10 30 BDEELP N#Cc1ccc2c(NCC[NH3+])cc[nH+]c2c1 ZINC000096928493 181130830 /nfs/dbraw/zinc/13/08/30/181130830.db2.gz JKNFOPFXFUBVSS-UHFFFAOYSA-N 2 2 212.256 1.477 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000306236434 359397367 /nfs/dbraw/zinc/39/73/67/359397367.db2.gz LAHIKMKXHRFSLY-LPEHRKFASA-N 2 2 245.164 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000306236434 359397369 /nfs/dbraw/zinc/39/73/69/359397369.db2.gz LAHIKMKXHRFSLY-LPEHRKFASA-N 2 2 245.164 1.564 10 30 BDEELP [NH3+]C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000051814735 181343376 /nfs/dbraw/zinc/34/33/76/181343376.db2.gz XNPPQGLSPOBTQL-UHFFFAOYSA-N 2 2 214.312 1.461 10 30 BDEELP [NH3+]CC[N@@H+]1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000095077593 181393005 /nfs/dbraw/zinc/39/30/05/181393005.db2.gz PEAIAIUAWWIIPW-MNOVXSKESA-N 2 2 214.378 1.367 10 30 BDEELP [NH3+]CC[N@H+]1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000095077593 181393007 /nfs/dbraw/zinc/39/30/07/181393007.db2.gz PEAIAIUAWWIIPW-MNOVXSKESA-N 2 2 214.378 1.367 10 30 BDEELP Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)c(C#N)c[nH+]1 ZINC000600955823 369577583 /nfs/dbraw/zinc/57/75/83/369577583.db2.gz RQSJGDIIKSSGEZ-SKDRFNHKSA-N 2 2 230.315 1.236 10 30 BDEELP CCCN[C@@H](C#N)CC[N@H+](C)CCC[NH+](C)C ZINC000104193524 169273806 /nfs/dbraw/zinc/27/38/06/169273806.db2.gz VWIRHSAKFVIXNQ-CYBMUJFWSA-N 2 2 240.395 1.152 10 30 BDEELP CCCN[C@@H](C#N)CC[N@@H+](C)CCC[NH+](C)C ZINC000104193524 169273808 /nfs/dbraw/zinc/27/38/08/169273808.db2.gz VWIRHSAKFVIXNQ-CYBMUJFWSA-N 2 2 240.395 1.152 10 30 BDEELP Cc1cc(N[C@H](C)CCC[NH3+])c(C#N)c[nH+]1 ZINC000398992528 386407943 /nfs/dbraw/zinc/40/79/43/386407943.db2.gz MEWZXVBCENBSHN-SECBINFHSA-N 2 2 218.304 1.223 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827505 172395995 /nfs/dbraw/zinc/39/59/95/172395995.db2.gz LZFIRZNYAYSOJU-VXGBXAGGSA-N 2 2 223.364 1.999 10 30 BDEELP CCC(CC)[N@H+](CCO)CCCC/C(N)=[NH+]/O ZINC000042507608 168374071 /nfs/dbraw/zinc/37/40/71/168374071.db2.gz RJRXJUUJHWSIQK-UHFFFAOYSA-N 2 2 245.367 1.386 10 30 BDEELP CCC(CC)[N@@H+](CCO)CCCC/C(N)=[NH+]/O ZINC000042507608 168374073 /nfs/dbraw/zinc/37/40/73/168374073.db2.gz RJRXJUUJHWSIQK-UHFFFAOYSA-N 2 2 245.367 1.386 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000157394554 345237131 /nfs/dbraw/zinc/23/71/31/345237131.db2.gz VDIIWUXMDHEQBL-RKDXNWHRSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000157394554 345237134 /nfs/dbraw/zinc/23/71/34/345237134.db2.gz VDIIWUXMDHEQBL-RKDXNWHRSA-N 2 2 233.153 1.564 10 30 BDEELP C#CC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000038096360 187318692 /nfs/dbraw/zinc/31/86/92/187318692.db2.gz DQSWCOHXOLGROQ-CQSZACIVSA-N 2 2 236.359 1.243 10 30 BDEELP N#Cc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616621769 351083752 /nfs/dbraw/zinc/08/37/52/351083752.db2.gz YGGAZLWFFUFQSA-CYBMUJFWSA-N 2 2 229.327 1.696 10 30 BDEELP N#Cc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616621769 351083753 /nfs/dbraw/zinc/08/37/53/351083753.db2.gz YGGAZLWFFUFQSA-CYBMUJFWSA-N 2 2 229.327 1.696 10 30 BDEELP C=C(Cl)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C ZINC000167975187 351139796 /nfs/dbraw/zinc/13/97/96/351139796.db2.gz XNMAGHCLNXDXPM-UTLUCORTSA-N 2 2 202.729 1.797 10 30 BDEELP C=C(Cl)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C ZINC000167975187 351139800 /nfs/dbraw/zinc/13/98/00/351139800.db2.gz XNMAGHCLNXDXPM-UTLUCORTSA-N 2 2 202.729 1.797 10 30 BDEELP N#Cc1ccc(F)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC000036754199 181112677 /nfs/dbraw/zinc/11/26/77/181112677.db2.gz ADGPXWYIHZQEPB-UHFFFAOYSA-N 2 2 233.290 1.620 10 30 BDEELP N#Cc1ncccc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000061659576 181170538 /nfs/dbraw/zinc/17/05/38/181170538.db2.gz PBKCCSJEBAKWPA-YHWZYXNKSA-N 2 2 242.326 1.407 10 30 BDEELP N#Cc1ncccc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000061659576 181170539 /nfs/dbraw/zinc/17/05/39/181170539.db2.gz PBKCCSJEBAKWPA-YHWZYXNKSA-N 2 2 242.326 1.407 10 30 BDEELP CCC[NH+](CCC)CCC/C(N)=[NH+]/O ZINC000019511026 169148008 /nfs/dbraw/zinc/14/80/08/169148008.db2.gz LKXNQXPNGVDUAU-UHFFFAOYSA-N 2 2 201.314 1.635 10 30 BDEELP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000054824962 385665680 /nfs/dbraw/zinc/66/56/80/385665680.db2.gz QWVZBXKWRXAFFB-PWSUYJOCSA-N 2 2 207.321 1.362 10 30 BDEELP C#CC[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301898304 533157742 /nfs/dbraw/zinc/15/77/42/533157742.db2.gz WQOAEGNOQRWSRE-UHFFFAOYSA-N 2 2 240.310 1.318 10 30 BDEELP Cc1cc(N[C@@H](CC[NH3+])C(F)F)c(C#N)c[nH+]1 ZINC000399082637 386198117 /nfs/dbraw/zinc/19/81/17/386198117.db2.gz QEHZMOXLIGZYEJ-VIFPVBQESA-N 2 2 240.257 1.078 10 30 BDEELP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262031764 135274818 /nfs/dbraw/zinc/27/48/18/135274818.db2.gz XMNUQJDEZFDTGA-UTUOFQBUSA-N 2 2 244.766 1.486 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000401851075 397984740 /nfs/dbraw/zinc/98/47/40/397984740.db2.gz SQHUGXPVDCVQBT-PWSUYJOCSA-N 2 2 218.304 1.244 10 30 BDEELP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086945 177033526 /nfs/dbraw/zinc/03/35/26/177033526.db2.gz TVGCOASKKAAEFT-GFCCVEGCSA-N 2 2 229.327 1.915 10 30 BDEELP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000038086945 177033528 /nfs/dbraw/zinc/03/35/28/177033528.db2.gz TVGCOASKKAAEFT-GFCCVEGCSA-N 2 2 229.327 1.915 10 30 BDEELP Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c(C#N)c[nH+]1 ZINC000398952671 267342395 /nfs/dbraw/zinc/34/23/95/267342395.db2.gz CQPZGPVVKAEUNE-QWRGUYRKSA-N 2 2 230.315 1.435 10 30 BDEELP C=C(Cl)C[N@@H+](CC)C1CC[NH2+]CC1 ZINC000037469529 187252076 /nfs/dbraw/zinc/25/20/76/187252076.db2.gz UUFBYYKLWCMEOQ-UHFFFAOYSA-N 2 2 202.729 1.813 10 30 BDEELP C=C(Cl)C[N@H+](CC)C1CC[NH2+]CC1 ZINC000037469529 187252078 /nfs/dbraw/zinc/25/20/78/187252078.db2.gz UUFBYYKLWCMEOQ-UHFFFAOYSA-N 2 2 202.729 1.813 10 30 BDEELP C=CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863429 136363727 /nfs/dbraw/zinc/36/37/27/136363727.db2.gz LNADKRMVUJPACG-UHFFFAOYSA-N 2 2 248.374 1.465 10 30 BDEELP C=CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863429 136363728 /nfs/dbraw/zinc/36/37/28/136363728.db2.gz LNADKRMVUJPACG-UHFFFAOYSA-N 2 2 248.374 1.465 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000306236427 343760622 /nfs/dbraw/zinc/76/06/22/343760622.db2.gz LAHIKMKXHRFSLY-AEJSXWLSSA-N 2 2 245.164 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000306236427 343760624 /nfs/dbraw/zinc/76/06/24/343760624.db2.gz LAHIKMKXHRFSLY-AEJSXWLSSA-N 2 2 245.164 1.564 10 30 BDEELP C=C(Cl)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226467175 345228470 /nfs/dbraw/zinc/22/84/70/345228470.db2.gz GEXWGHFQLKLNRL-JTQLQIEISA-N 2 2 202.729 1.813 10 30 BDEELP C=C(Cl)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226467175 345228471 /nfs/dbraw/zinc/22/84/71/345228471.db2.gz GEXWGHFQLKLNRL-JTQLQIEISA-N 2 2 202.729 1.813 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000157394410 345258909 /nfs/dbraw/zinc/25/89/09/345258909.db2.gz VDIIWUXMDHEQBL-DTWKUNHWSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000157394410 345258911 /nfs/dbraw/zinc/25/89/11/345258911.db2.gz VDIIWUXMDHEQBL-DTWKUNHWSA-N 2 2 233.153 1.564 10 30 BDEELP C#CC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096359 187318569 /nfs/dbraw/zinc/31/85/69/187318569.db2.gz DQSWCOHXOLGROQ-AWEZNQCLSA-N 2 2 236.359 1.243 10 30 BDEELP N#C[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309544864 347097946 /nfs/dbraw/zinc/09/79/46/347097946.db2.gz ZKHYABKUYPREBF-VXGBXAGGSA-N 2 2 218.304 1.555 10 30 BDEELP N#Cc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616608252 350804584 /nfs/dbraw/zinc/80/45/84/350804584.db2.gz NZSZVNBUMXKBKP-CYBMUJFWSA-N 2 2 215.300 1.654 10 30 BDEELP N#Cc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616608252 350804586 /nfs/dbraw/zinc/80/45/86/350804586.db2.gz NZSZVNBUMXKBKP-CYBMUJFWSA-N 2 2 215.300 1.654 10 30 BDEELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000336753160 353100608 /nfs/dbraw/zinc/10/06/08/353100608.db2.gz DVCJXMJIEXFVGC-UPJWGTAASA-N 2 2 221.348 1.753 10 30 BDEELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000336753160 353100612 /nfs/dbraw/zinc/10/06/12/353100612.db2.gz DVCJXMJIEXFVGC-UPJWGTAASA-N 2 2 221.348 1.753 10 30 BDEELP Cc1cc(NCC[C@@H]2CC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399031451 353707250 /nfs/dbraw/zinc/70/72/50/353707250.db2.gz JSRYSQWLNRUJSD-NSHDSACASA-N 2 2 230.315 1.095 10 30 BDEELP CCCN[C@H](C#N)CC[N@H+](C)CCC[NH+](C)C ZINC000104193521 169283791 /nfs/dbraw/zinc/28/37/91/169283791.db2.gz VWIRHSAKFVIXNQ-ZDUSSCGKSA-N 2 2 240.395 1.152 10 30 BDEELP CCCN[C@H](C#N)CC[N@@H+](C)CCC[NH+](C)C ZINC000104193521 169283793 /nfs/dbraw/zinc/28/37/93/169283793.db2.gz VWIRHSAKFVIXNQ-ZDUSSCGKSA-N 2 2 240.395 1.152 10 30 BDEELP Cc1cc(NC[C@@H]([NH3+])C(C)C)c(C#N)c[nH+]1 ZINC000398994573 386408524 /nfs/dbraw/zinc/40/85/24/386408524.db2.gz NXRJMWDWZAEFHM-LLVKDONJSA-N 2 2 218.304 1.079 10 30 BDEELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000042545613 173151998 /nfs/dbraw/zinc/15/19/98/173151998.db2.gz JHWFULAIBYRIER-ZDUSSCGKSA-N 2 2 245.326 1.383 10 30 BDEELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000042545613 173152000 /nfs/dbraw/zinc/15/20/00/173152000.db2.gz JHWFULAIBYRIER-ZDUSSCGKSA-N 2 2 245.326 1.383 10 30 BDEELP COCC[N@H+](CCC/C(N)=[NH+]/O)[C@H](C)C1CC1 ZINC000042679923 174289499 /nfs/dbraw/zinc/28/94/99/174289499.db2.gz PEAFFVKPMXDONU-SNVBAGLBSA-N 2 2 243.351 1.260 10 30 BDEELP COCC[N@@H+](CCC/C(N)=[NH+]/O)[C@H](C)C1CC1 ZINC000042679923 174289500 /nfs/dbraw/zinc/28/95/00/174289500.db2.gz PEAFFVKPMXDONU-SNVBAGLBSA-N 2 2 243.351 1.260 10 30 BDEELP Cc1cc(N2CC([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301927729 178112697 /nfs/dbraw/zinc/11/26/97/178112697.db2.gz ZJWCUHYUCDOYDN-UHFFFAOYSA-N 2 2 230.315 1.320 10 30 BDEELP Cc1cc2[nH+]cn(CC[C@H]([NH3+])C#N)c2cc1C ZINC000062439898 178305981 /nfs/dbraw/zinc/30/59/81/178305981.db2.gz XZDDKLSLPGCGLL-NSHDSACASA-N 2 2 228.299 1.894 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126883211 342799534 /nfs/dbraw/zinc/79/95/34/342799534.db2.gz OOFRYVUJAFOZAV-DTWKUNHWSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126883211 342799535 /nfs/dbraw/zinc/79/95/35/342799535.db2.gz OOFRYVUJAFOZAV-DTWKUNHWSA-N 2 2 233.153 1.564 10 30 BDEELP N#Cc1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616614531 350834899 /nfs/dbraw/zinc/83/48/99/350834899.db2.gz NTOLTIXWDHHLNN-CYBMUJFWSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616614531 350834902 /nfs/dbraw/zinc/83/49/02/350834902.db2.gz NTOLTIXWDHHLNN-CYBMUJFWSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616621858 351084660 /nfs/dbraw/zinc/08/46/60/351084660.db2.gz ZYOHKPVWGGNVEH-CQSZACIVSA-N 2 2 229.327 1.696 10 30 BDEELP N#Cc1ccc([C@@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616621858 351084665 /nfs/dbraw/zinc/08/46/65/351084665.db2.gz ZYOHKPVWGGNVEH-CQSZACIVSA-N 2 2 229.327 1.696 10 30 BDEELP N#C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826392 181058872 /nfs/dbraw/zinc/05/88/72/181058872.db2.gz XCORIUIFWXNTHW-RYUDHWBXSA-N 2 2 218.304 1.555 10 30 BDEELP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000061891104 358936227 /nfs/dbraw/zinc/93/62/27/358936227.db2.gz LPXXJPBFDPCHNL-YPMHNXCESA-N 2 2 221.348 1.753 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C ZINC000252560906 363892608 /nfs/dbraw/zinc/89/26/08/363892608.db2.gz UHYSNCHXNPPQFH-UTLUCORTSA-N 2 2 200.713 1.279 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C ZINC000252560906 363892614 /nfs/dbraw/zinc/89/26/14/363892614.db2.gz UHYSNCHXNPPQFH-UTLUCORTSA-N 2 2 200.713 1.279 10 30 BDEELP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C)[nH+]cc1C#N ZINC000600951063 369574965 /nfs/dbraw/zinc/57/49/65/369574965.db2.gz GEYOIZMHSMYCLR-NWDGAFQWSA-N 2 2 230.315 1.236 10 30 BDEELP Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000600962408 369581159 /nfs/dbraw/zinc/58/11/59/369581159.db2.gz WQVONNMRCVQOSA-CABZTGNLSA-N 2 2 230.315 1.293 10 30 BDEELP Cc1cc(N2CCC[C@H](CC[NH3+])C2)c(C#N)c[nH+]1 ZINC000398977536 386280189 /nfs/dbraw/zinc/28/01/89/386280189.db2.gz DNGGGXMHGHEKPT-GFCCVEGCSA-N 2 2 244.342 1.827 10 30 BDEELP Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399001982 386504576 /nfs/dbraw/zinc/50/45/76/386504576.db2.gz SYSPDZLWXVIESA-AWEZNQCLSA-N 2 2 244.342 1.485 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054827498 172394495 /nfs/dbraw/zinc/39/44/95/172394495.db2.gz YNCSEHVEBNSQBH-GHMZBOCLSA-N 2 2 209.337 1.608 10 30 BDEELP Cc1cc(N(C)CCC[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000157437506 398260449 /nfs/dbraw/zinc/26/04/49/398260449.db2.gz NYEDVPUBMSBQEE-UHFFFAOYSA-N 2 2 246.358 1.958 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050249296 187357637 /nfs/dbraw/zinc/35/76/37/187357637.db2.gz YSKNTSAGNZVVJA-QMMMGPOBSA-N 2 2 219.126 1.176 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050249296 187357639 /nfs/dbraw/zinc/35/76/39/187357639.db2.gz YSKNTSAGNZVVJA-QMMMGPOBSA-N 2 2 219.126 1.176 10 30 BDEELP COc1ccc(Cn2cc[nH+]c2)cc1C#CC[NH3+] ZINC000049610072 187357818 /nfs/dbraw/zinc/35/78/18/187357818.db2.gz UQSKMAIOEDGQJX-UHFFFAOYSA-N 2 2 241.294 1.250 10 30 BDEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000037644564 187292862 /nfs/dbraw/zinc/29/28/62/187292862.db2.gz LKFSBQKQDGGDMD-AWEZNQCLSA-N 3 2 249.402 1.015 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070090 345246533 /nfs/dbraw/zinc/24/65/33/345246533.db2.gz HPEOZLRODZHIIX-IONNQARKSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070090 345246535 /nfs/dbraw/zinc/24/65/35/345246535.db2.gz HPEOZLRODZHIIX-IONNQARKSA-N 2 2 233.153 1.564 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000401789052 347878350 /nfs/dbraw/zinc/87/83/50/347878350.db2.gz VLWQHLQIIPPEBV-AAEUAGOBSA-N 2 2 232.331 1.635 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000401789055 347878670 /nfs/dbraw/zinc/87/86/70/347878670.db2.gz VLWQHLQIIPPEBV-DGCLKSJQSA-N 2 2 232.331 1.635 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000401789057 347878717 /nfs/dbraw/zinc/87/87/17/347878717.db2.gz VLWQHLQIIPPEBV-WCQYABFASA-N 2 2 232.331 1.635 10 30 BDEELP C#CC[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000042816714 188043327 /nfs/dbraw/zinc/04/33/27/188043327.db2.gz ZIOVUTYODJOCDL-CQSZACIVSA-N 2 2 236.359 1.243 10 30 BDEELP Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000600962409 369580599 /nfs/dbraw/zinc/58/05/99/369580599.db2.gz WQVONNMRCVQOSA-JOYOIKCWSA-N 2 2 230.315 1.293 10 30 BDEELP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000054824968 384819108 /nfs/dbraw/zinc/81/91/08/384819108.db2.gz QMWPNMARDJEGSZ-AAEUAGOBSA-N 2 2 221.348 1.753 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])[C@@H](C)C1 ZINC000575549603 387647578 /nfs/dbraw/zinc/64/75/78/387647578.db2.gz LAXZLKNALNLJTB-MBTKJCJQSA-N 2 2 202.729 1.654 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H]([NH3+])[C@@H](C)C1 ZINC000575549603 387647582 /nfs/dbraw/zinc/64/75/82/387647582.db2.gz LAXZLKNALNLJTB-MBTKJCJQSA-N 2 2 202.729 1.654 10 30 BDEELP Cc1cc(N[C@@H](C)CCCC[NH3+])c(C#N)c[nH+]1 ZINC000399020129 387940116 /nfs/dbraw/zinc/94/01/16/387940116.db2.gz DTGPXYQQHPALKH-JTQLQIEISA-N 2 2 232.331 1.613 10 30 BDEELP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000034409278 136096006 /nfs/dbraw/zinc/09/60/06/136096006.db2.gz MMEHFLFBVOVBKH-CQSZACIVSA-N 2 2 229.327 1.871 10 30 BDEELP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000034409278 136096007 /nfs/dbraw/zinc/09/60/07/136096007.db2.gz MMEHFLFBVOVBKH-CQSZACIVSA-N 2 2 229.327 1.871 10 30 BDEELP Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c(C#N)c[nH+]1 ZINC000398952670 267342167 /nfs/dbraw/zinc/34/21/67/267342167.db2.gz CQPZGPVVKAEUNE-MNOVXSKESA-N 2 2 230.315 1.435 10 30 BDEELP C#CC[NH+]1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000038098174 187318192 /nfs/dbraw/zinc/31/81/92/187318192.db2.gz XHVYQFRLELOQHH-UHFFFAOYSA-N 3 2 249.402 1.158 10 30 BDEELP C=C(Cl)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193656191 347399941 /nfs/dbraw/zinc/39/99/41/347399941.db2.gz XQYAZICZZAGEGB-AOOOYVTPSA-N 2 2 200.713 1.232 10 30 BDEELP C=C(Cl)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193656191 347399942 /nfs/dbraw/zinc/39/99/42/347399942.db2.gz XQYAZICZZAGEGB-AOOOYVTPSA-N 2 2 200.713 1.232 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656191 347399943 /nfs/dbraw/zinc/39/99/43/347399943.db2.gz XQYAZICZZAGEGB-AOOOYVTPSA-N 2 2 200.713 1.232 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656191 347399944 /nfs/dbraw/zinc/39/99/44/347399944.db2.gz XQYAZICZZAGEGB-AOOOYVTPSA-N 2 2 200.713 1.232 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000401789058 347878392 /nfs/dbraw/zinc/87/83/92/347878392.db2.gz VLWQHLQIIPPEBV-YPMHNXCESA-N 2 2 232.331 1.635 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000054828286 181060223 /nfs/dbraw/zinc/06/02/23/181060223.db2.gz AAHAFJFZOZQVNT-STQMWFEESA-N 2 2 232.331 1.945 10 30 BDEELP C[NH+](C)CC/[NH+]=C/c1ccc2c(c1)CCO2 ZINC000584661464 358312609 /nfs/dbraw/zinc/31/26/09/358312609.db2.gz BYYOVLWBWBAYJC-GXDHUFHOSA-N 2 2 218.300 1.602 10 30 BDEELP [NH3+]CC#Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000049610068 181346119 /nfs/dbraw/zinc/34/61/19/181346119.db2.gz USIMUCGYZQDQOA-UHFFFAOYSA-N 2 2 241.294 1.272 10 30 BDEELP Cc1cc(N2CC[NH+](C)CC2)c(C#N)c(C)[nH+]1 ZINC000156533871 388812864 /nfs/dbraw/zinc/81/28/64/388812864.db2.gz LSHHFJXMRPPKNZ-UHFFFAOYSA-N 2 2 230.315 1.322 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000401851076 397984752 /nfs/dbraw/zinc/98/47/52/397984752.db2.gz SQHUGXPVDCVQBT-ZYHUDNBSSA-N 2 2 218.304 1.244 10 30 BDEELP CC1CC[NH+](CCC[NH2+]CCC#N)CC1 ZINC000027742668 168179375 /nfs/dbraw/zinc/17/93/75/168179375.db2.gz UXFKWAGNTYIHQP-UHFFFAOYSA-N 2 2 209.337 1.612 10 30 BDEELP CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)CCN(C)C ZINC000104191198 170155254 /nfs/dbraw/zinc/15/52/54/170155254.db2.gz WNGXEKIYIZMGOZ-CYBMUJFWSA-N 2 2 240.395 1.152 10 30 BDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CCN(C)C ZINC000104191198 170155255 /nfs/dbraw/zinc/15/52/55/170155255.db2.gz WNGXEKIYIZMGOZ-CYBMUJFWSA-N 2 2 240.395 1.152 10 30 BDEELP Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c(C#N)c[nH+]1 ZINC000398952669 267341051 /nfs/dbraw/zinc/34/10/51/267341051.db2.gz CQPZGPVVKAEUNE-GHMZBOCLSA-N 2 2 230.315 1.435 10 30 BDEELP N#Cc1cccc([C@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616610063 343520041 /nfs/dbraw/zinc/52/00/41/343520041.db2.gz FMVNVYRKPBZDAE-AWEZNQCLSA-N 2 2 229.327 1.696 10 30 BDEELP N#Cc1cccc([C@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616610063 343520044 /nfs/dbraw/zinc/52/00/44/343520044.db2.gz FMVNVYRKPBZDAE-AWEZNQCLSA-N 2 2 229.327 1.696 10 30 BDEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC#N ZINC000178284121 346950778 /nfs/dbraw/zinc/95/07/78/346950778.db2.gz UFJDOHSBDCAJJB-ZDUSSCGKSA-N 2 2 232.331 1.960 10 30 BDEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC#N ZINC000178284121 346950781 /nfs/dbraw/zinc/95/07/81/346950781.db2.gz UFJDOHSBDCAJJB-ZDUSSCGKSA-N 2 2 232.331 1.960 10 30 BDEELP N#Cc1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616611365 350810901 /nfs/dbraw/zinc/81/09/01/350810901.db2.gz CKKGSQJTUZQFKW-LBPRGKRZSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000616611365 350810903 /nfs/dbraw/zinc/81/09/03/350810903.db2.gz CKKGSQJTUZQFKW-LBPRGKRZSA-N 2 2 215.300 1.306 10 30 BDEELP C=C(Cl)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C ZINC000167975517 351141346 /nfs/dbraw/zinc/14/13/46/351141346.db2.gz XNMAGHCLNXDXPM-AEJSXWLSSA-N 2 2 202.729 1.797 10 30 BDEELP C=C(Cl)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C ZINC000167975517 351141351 /nfs/dbraw/zinc/14/13/51/351141351.db2.gz XNMAGHCLNXDXPM-AEJSXWLSSA-N 2 2 202.729 1.797 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C ZINC000168318838 351376190 /nfs/dbraw/zinc/37/61/90/351376190.db2.gz GXTFRJPOGZRBPD-GUBZILKMSA-N 2 2 247.180 1.953 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C ZINC000168318838 351376194 /nfs/dbraw/zinc/37/61/94/351376194.db2.gz GXTFRJPOGZRBPD-GUBZILKMSA-N 2 2 247.180 1.953 10 30 BDEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038045018 188007945 /nfs/dbraw/zinc/00/79/45/188007945.db2.gz SXQUTJXFQWVWJF-ZDUSSCGKSA-N 2 2 236.359 1.100 10 30 BDEELP Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])c(C#N)c[nH+]1 ZINC000398997416 353483671 /nfs/dbraw/zinc/48/36/71/353483671.db2.gz AUIKKLIRAXOIKS-SCZZXKLOSA-N 2 2 218.304 1.221 10 30 BDEELP Cc1cc(NCC[C@H]2CCC[NH2+]2)c(C#N)c[nH+]1 ZINC000398999707 353551754 /nfs/dbraw/zinc/55/17/54/353551754.db2.gz RWNBDYZZQFMINS-GFCCVEGCSA-N 2 2 230.315 1.238 10 30 BDEELP [NH3+]CC#Cc1cccc(OCCn2cc[nH+]c2)c1 ZINC000049610073 181346200 /nfs/dbraw/zinc/34/62/00/181346200.db2.gz XVFDEYPBIZMARS-UHFFFAOYSA-N 2 2 241.294 1.272 10 30 BDEELP Cc1cc(N2CC[C@](C)(C[NH3+])C2)c(C#N)c[nH+]1 ZINC000398981929 386319469 /nfs/dbraw/zinc/31/94/69/386319469.db2.gz FMWRONXDUMAGEC-CYBMUJFWSA-N 2 2 230.315 1.437 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054827502 172396018 /nfs/dbraw/zinc/39/60/18/172396018.db2.gz YNCSEHVEBNSQBH-WDEREUQCSA-N 2 2 209.337 1.608 10 30 BDEELP Cc1cc(N2CCC[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399057822 353745345 /nfs/dbraw/zinc/74/53/45/353745345.db2.gz KSPPTPLCOAYZEX-NSHDSACASA-N 2 2 230.315 1.437 10 30 BDEELP N#C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826390 181067820 /nfs/dbraw/zinc/06/78/20/181067820.db2.gz XCORIUIFWXNTHW-NEPJUHHUSA-N 2 2 218.304 1.555 10 30 BDEELP N#C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054825747 181069950 /nfs/dbraw/zinc/06/99/50/181069950.db2.gz WFONYVCMTRRFHH-OUCADQQQSA-N 2 2 233.359 1.753 10 30 BDEELP N#C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054825747 181069951 /nfs/dbraw/zinc/06/99/51/181069951.db2.gz WFONYVCMTRRFHH-OUCADQQQSA-N 2 2 233.359 1.753 10 30 BDEELP N#Cc1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000036946414 181127978 /nfs/dbraw/zinc/12/79/78/181127978.db2.gz LXBBUCYCILCPPJ-UHFFFAOYSA-N 2 2 245.326 1.232 10 30 BDEELP N#Cc1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000036946414 181127979 /nfs/dbraw/zinc/12/79/79/181127979.db2.gz LXBBUCYCILCPPJ-UHFFFAOYSA-N 2 2 245.326 1.232 10 30 BDEELP N/C(CCCC[N@@H+]1CCCC[C@H]1CCO)=[NH+]/O ZINC000049580137 181182847 /nfs/dbraw/zinc/18/28/47/181182847.db2.gz ODBDVXBRMRHXLV-NSHDSACASA-N 2 2 243.351 1.140 10 30 BDEELP N/C(CCCC[N@H+]1CCCC[C@H]1CCO)=[NH+]/O ZINC000049580137 181182850 /nfs/dbraw/zinc/18/28/50/181182850.db2.gz ODBDVXBRMRHXLV-NSHDSACASA-N 2 2 243.351 1.140 10 30 BDEELP C=C(Cl)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000306390348 359747199 /nfs/dbraw/zinc/74/71/99/359747199.db2.gz YIPCLOLHFYSDOJ-VIFPVBQESA-N 2 2 202.729 1.798 10 30 BDEELP C=C(Cl)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000306390348 359747202 /nfs/dbraw/zinc/74/72/02/359747202.db2.gz YIPCLOLHFYSDOJ-VIFPVBQESA-N 2 2 202.729 1.798 10 30 BDEELP C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCS ZINC000306570000 360450223 /nfs/dbraw/zinc/45/02/23/360450223.db2.gz XRVMRCQQRIPGSR-ZJUUUORDSA-N 2 2 200.351 1.085 10 30 BDEELP C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCS ZINC000306570000 360450227 /nfs/dbraw/zinc/45/02/27/360450227.db2.gz XRVMRCQQRIPGSR-ZJUUUORDSA-N 2 2 200.351 1.085 10 30 BDEELP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCS ZINC000306570000 360450229 /nfs/dbraw/zinc/45/02/29/360450229.db2.gz XRVMRCQQRIPGSR-ZJUUUORDSA-N 2 2 200.351 1.085 10 30 BDEELP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCS ZINC000306570000 360450233 /nfs/dbraw/zinc/45/02/33/360450233.db2.gz XRVMRCQQRIPGSR-ZJUUUORDSA-N 2 2 200.351 1.085 10 30 BDEELP Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)c(C#N)c[nH+]1 ZINC000600955821 369578258 /nfs/dbraw/zinc/57/82/58/369578258.db2.gz RQSJGDIIKSSGEZ-CABZTGNLSA-N 2 2 230.315 1.236 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC[N@@H+]1C ZINC000252217944 370003012 /nfs/dbraw/zinc/00/30/12/370003012.db2.gz ZQOSDBGYQBCYOL-YVECIDJPSA-N 2 2 221.348 1.751 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC[N@H+]1C ZINC000252217944 370003017 /nfs/dbraw/zinc/00/30/17/370003017.db2.gz ZQOSDBGYQBCYOL-YVECIDJPSA-N 2 2 221.348 1.751 10 30 BDEELP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000054824963 385664296 /nfs/dbraw/zinc/66/42/96/385664296.db2.gz QWVZBXKWRXAFFB-CMPLNLGQSA-N 2 2 207.321 1.362 10 30 BDEELP Cc1cc(NC[C@@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399081412 398283069 /nfs/dbraw/zinc/28/30/69/398283069.db2.gz RZOSHVBESJVPBE-LLVKDONJSA-N 2 2 230.315 1.095 10 30 BDEELP [NH3+]CC[N@@H+]1CC[C@]2(CC[C@H](CS)C2)C1 ZINC000247744727 344391710 /nfs/dbraw/zinc/39/17/10/344391710.db2.gz PEAIAIUAWWIIPW-QWRGUYRKSA-N 2 2 214.378 1.367 10 30 BDEELP [NH3+]CC[N@H+]1CC[C@]2(CC[C@H](CS)C2)C1 ZINC000247744727 344391713 /nfs/dbraw/zinc/39/17/13/344391713.db2.gz PEAIAIUAWWIIPW-QWRGUYRKSA-N 2 2 214.378 1.367 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156090904 345121704 /nfs/dbraw/zinc/12/17/04/345121704.db2.gz WPJYXVFTUSSPBU-DGAVXFQQSA-N 2 2 233.359 1.895 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156090904 345121706 /nfs/dbraw/zinc/12/17/06/345121706.db2.gz WPJYXVFTUSSPBU-DGAVXFQQSA-N 2 2 233.359 1.895 10 30 BDEELP C=C(Br)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531477 345109166 /nfs/dbraw/zinc/10/91/66/345109166.db2.gz CYZNWFAYNDWHRB-SECBINFHSA-N 2 2 233.153 1.566 10 30 BDEELP C=C(Br)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531477 345109171 /nfs/dbraw/zinc/10/91/71/345109171.db2.gz CYZNWFAYNDWHRB-SECBINFHSA-N 2 2 233.153 1.566 10 30 BDEELP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750095 188145915 /nfs/dbraw/zinc/14/59/15/188145915.db2.gz VOAFCKUFGJZKHB-PBINXNQUSA-N 2 2 200.713 1.693 10 30 BDEELP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750095 188145917 /nfs/dbraw/zinc/14/59/17/188145917.db2.gz VOAFCKUFGJZKHB-PBINXNQUSA-N 2 2 200.713 1.693 10 30 BDEELP N#Cc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000168786055 134247926 /nfs/dbraw/zinc/24/79/26/134247926.db2.gz IJLUPYSEMYCDTH-ZDUSSCGKSA-N 2 2 215.300 1.481 10 30 BDEELP N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000168786055 134247927 /nfs/dbraw/zinc/24/79/27/134247927.db2.gz IJLUPYSEMYCDTH-ZDUSSCGKSA-N 2 2 215.300 1.481 10 30 BDEELP Cc1cc(N[C@@H](C)CCC[NH3+])c(C#N)c[nH+]1 ZINC000398992532 386408905 /nfs/dbraw/zinc/40/89/05/386408905.db2.gz MEWZXVBCENBSHN-VIFPVBQESA-N 2 2 218.304 1.223 10 30 BDEELP Cc1cc(NCC2(C)CC[NH2+]CC2)c(C#N)c[nH+]1 ZINC000399013252 386550388 /nfs/dbraw/zinc/55/03/88/386550388.db2.gz ZLTSYZQYYPZOSH-UHFFFAOYSA-N 2 2 244.342 1.485 10 30 BDEELP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000042545623 173123389 /nfs/dbraw/zinc/12/33/89/173123389.db2.gz ZGJUYPUWMSUJFA-CYBMUJFWSA-N 2 2 245.326 1.383 10 30 BDEELP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000042545623 173123392 /nfs/dbraw/zinc/12/33/92/173123392.db2.gz ZGJUYPUWMSUJFA-CYBMUJFWSA-N 2 2 245.326 1.383 10 30 BDEELP Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399064330 262774858 /nfs/dbraw/zinc/77/48/58/262774858.db2.gz KGYBTRZGWVCCTP-ZYHUDNBSSA-N 2 2 230.315 1.223 10 30 BDEELP N#C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310323444 136220614 /nfs/dbraw/zinc/22/06/14/136220614.db2.gz ZMWOHVNIKOYKLY-RISCZKNCSA-N 2 2 233.359 1.895 10 30 BDEELP N#Cc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616620115 350933355 /nfs/dbraw/zinc/93/33/55/350933355.db2.gz FMVNVYRKPBZDAE-CQSZACIVSA-N 2 2 229.327 1.696 10 30 BDEELP N#Cc1cccc([C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616620115 350933358 /nfs/dbraw/zinc/93/33/58/350933358.db2.gz FMVNVYRKPBZDAE-CQSZACIVSA-N 2 2 229.327 1.696 10 30 BDEELP Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c(C#N)c[nH+]1 ZINC000398997417 353483394 /nfs/dbraw/zinc/48/33/94/353483394.db2.gz AUIKKLIRAXOIKS-WCBMZHEXSA-N 2 2 218.304 1.221 10 30 BDEELP C#CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281790 353741775 /nfs/dbraw/zinc/74/17/75/353741775.db2.gz VKIPUWGTRYDDMJ-OAHLLOKOSA-N 2 2 243.354 1.469 10 30 BDEELP C#CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281790 353741777 /nfs/dbraw/zinc/74/17/77/353741777.db2.gz VKIPUWGTRYDDMJ-OAHLLOKOSA-N 2 2 243.354 1.469 10 30 BDEELP C#CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281790 353741779 /nfs/dbraw/zinc/74/17/79/353741779.db2.gz VKIPUWGTRYDDMJ-OAHLLOKOSA-N 2 2 243.354 1.469 10 30 BDEELP C#CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281790 353741782 /nfs/dbraw/zinc/74/17/82/353741782.db2.gz VKIPUWGTRYDDMJ-OAHLLOKOSA-N 2 2 243.354 1.469 10 30 BDEELP N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826396 181059186 /nfs/dbraw/zinc/05/91/86/181059186.db2.gz FKAKIDWNNNNBFB-STQMWFEESA-N 2 2 232.331 1.945 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C ZINC000252554461 363893179 /nfs/dbraw/zinc/89/31/79/363893179.db2.gz HNKSCHOOJOSVKM-UTLUCORTSA-N 2 2 245.164 1.435 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C ZINC000252554461 363893186 /nfs/dbraw/zinc/89/31/86/363893186.db2.gz HNKSCHOOJOSVKM-UTLUCORTSA-N 2 2 245.164 1.435 10 30 BDEELP CCCO[C@@H]1CCC[N@H+](CCC/C(N)=[NH+]/O)C1 ZINC000042422557 169311314 /nfs/dbraw/zinc/31/13/14/169311314.db2.gz VHAFYUPIQXHBFT-LLVKDONJSA-N 2 2 243.351 1.404 10 30 BDEELP CCCO[C@@H]1CCC[N@@H+](CCC/C(N)=[NH+]/O)C1 ZINC000042422557 169311316 /nfs/dbraw/zinc/31/13/16/169311316.db2.gz VHAFYUPIQXHBFT-LLVKDONJSA-N 2 2 243.351 1.404 10 30 BDEELP Cc1cc(NCCn2cc[nH+]c2)c(C#N)c(C)[nH+]1 ZINC000157408210 385168584 /nfs/dbraw/zinc/16/85/84/385168584.db2.gz XFOCPMDLYCMFCD-UHFFFAOYSA-N 2 2 241.298 1.879 10 30 BDEELP C#CC[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000037184891 166187998 /nfs/dbraw/zinc/18/79/98/166187998.db2.gz FVTSJLLRRCXQRC-UHFFFAOYSA-N 2 2 206.333 1.640 10 30 BDEELP Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000398999667 398247953 /nfs/dbraw/zinc/24/79/53/398247953.db2.gz RLBQSRYBYNAMHW-NWDGAFQWSA-N 2 2 244.342 1.484 10 30 BDEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCC#N ZINC000178284137 346951296 /nfs/dbraw/zinc/95/12/96/346951296.db2.gz UFJDOHSBDCAJJB-CYBMUJFWSA-N 2 2 232.331 1.960 10 30 BDEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC#N ZINC000178284137 346951298 /nfs/dbraw/zinc/95/12/98/346951298.db2.gz UFJDOHSBDCAJJB-CYBMUJFWSA-N 2 2 232.331 1.960 10 30 BDEELP Cc1cc(N2CCC(C)([NH3+])CC2)c(C#N)c[nH+]1 ZINC000591689864 347689502 /nfs/dbraw/zinc/68/95/02/347689502.db2.gz QTTDSFGOGZFPQX-UHFFFAOYSA-N 2 2 230.315 1.579 10 30 BDEELP Cc1cc(NCCC2CC[NH2+]CC2)c(C#N)c[nH+]1 ZINC000593233168 347873322 /nfs/dbraw/zinc/87/33/22/347873322.db2.gz LAEIKJUEKAFNAE-UHFFFAOYSA-N 2 2 244.342 1.485 10 30 BDEELP N#CCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952382 350872042 /nfs/dbraw/zinc/87/20/42/350872042.db2.gz METFXIUGTRBPGD-UHFFFAOYSA-N 2 2 221.348 1.850 10 30 BDEELP Cc1ccc(C[N@H+](C)CCC/C(N)=[NH+]/O)cc1 ZINC000020264643 188108780 /nfs/dbraw/zinc/10/87/80/188108780.db2.gz VBYLJCODCKDWJH-UHFFFAOYSA-N 2 2 235.331 1.953 10 30 BDEELP Cc1ccc(C[N@@H+](C)CCC/C(N)=[NH+]/O)cc1 ZINC000020264643 188108782 /nfs/dbraw/zinc/10/87/82/188108782.db2.gz VBYLJCODCKDWJH-UHFFFAOYSA-N 2 2 235.331 1.953 10 30 BDEELP C#CC[NH+]1CCC([NH2+]Cc2nc(C)cs2)CC1 ZINC000038091088 188177039 /nfs/dbraw/zinc/17/70/39/188177039.db2.gz QQEUXKFQMOYMRS-UHFFFAOYSA-N 2 2 249.383 1.639 10 30 BDEELP N#C[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072688 181068626 /nfs/dbraw/zinc/06/86/26/181068626.db2.gz LLNMQUZNNVNQMX-OLZOCXBDSA-N 2 2 221.348 1.754 10 30 BDEELP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000061891105 358936161 /nfs/dbraw/zinc/93/61/61/358936161.db2.gz LPXXJPBFDPCHNL-WCQYABFASA-N 2 2 221.348 1.753 10 30 BDEELP C=C(Br)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000306477271 360123485 /nfs/dbraw/zinc/12/34/85/360123485.db2.gz KMQJKFCDSFOZMB-JTQLQIEISA-N 2 2 247.180 1.956 10 30 BDEELP C=C(Br)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000306477271 360123487 /nfs/dbraw/zinc/12/34/87/360123487.db2.gz KMQJKFCDSFOZMB-JTQLQIEISA-N 2 2 247.180 1.956 10 30 BDEELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309910243 370274606 /nfs/dbraw/zinc/27/46/06/370274606.db2.gz MGNJJSSWYZSNQR-QNWHQSFQSA-N 2 2 221.348 1.608 10 30 BDEELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309910243 370274610 /nfs/dbraw/zinc/27/46/10/370274610.db2.gz MGNJJSSWYZSNQR-QNWHQSFQSA-N 2 2 221.348 1.608 10 30 BDEELP Cc1cc(NCC2([NH3+])CCCCC2)c(C#N)c[nH+]1 ZINC000399008705 386550197 /nfs/dbraw/zinc/55/01/97/386550197.db2.gz VZHFSIOPJCLKMP-UHFFFAOYSA-N 2 2 244.342 1.757 10 30 BDEELP C=CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178286274 166356376 /nfs/dbraw/zinc/35/63/76/166356376.db2.gz XHCBAPLMBJWYNQ-LBPRGKRZSA-N 2 2 205.305 1.842 10 30 BDEELP C=CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178286274 166356377 /nfs/dbraw/zinc/35/63/77/166356377.db2.gz XHCBAPLMBJWYNQ-LBPRGKRZSA-N 2 2 205.305 1.842 10 30 BDEELP C[C@H]1C[C@H](C)C[NH+](CCC/C(N)=[NH+]/O)C1 ZINC000019423931 177358612 /nfs/dbraw/zinc/35/86/12/177358612.db2.gz JANWEQOGCZETPL-UWVGGRQHSA-N 2 2 213.325 1.491 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310323441 136220579 /nfs/dbraw/zinc/22/05/79/136220579.db2.gz ZMWOHVNIKOYKLY-FZMZJTMJSA-N 2 2 233.359 1.895 10 30 BDEELP C[NH2+]C[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399080648 398282851 /nfs/dbraw/zinc/28/28/51/398282851.db2.gz RQNHEMFOWOEFPW-NSHDSACASA-N 2 2 230.315 1.307 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000228599486 350827157 /nfs/dbraw/zinc/82/71/57/350827157.db2.gz HNKSCHOOJOSVKM-LPEHRKFASA-N 2 2 245.164 1.435 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000228599486 350827159 /nfs/dbraw/zinc/82/71/59/350827159.db2.gz HNKSCHOOJOSVKM-LPEHRKFASA-N 2 2 245.164 1.435 10 30 BDEELP N#C[C@H]1CCCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826393 181067714 /nfs/dbraw/zinc/06/77/14/181067714.db2.gz FKAKIDWNNNNBFB-CHWSQXEVSA-N 2 2 232.331 1.945 10 30 BDEELP CCCO[C@H]1CCC[N@H+](CCC/C(N)=[NH+]/O)C1 ZINC000042422558 169312114 /nfs/dbraw/zinc/31/21/14/169312114.db2.gz VHAFYUPIQXHBFT-NSHDSACASA-N 2 2 243.351 1.404 10 30 BDEELP CCCO[C@H]1CCC[N@@H+](CCC/C(N)=[NH+]/O)C1 ZINC000042422558 169312115 /nfs/dbraw/zinc/31/21/15/169312115.db2.gz VHAFYUPIQXHBFT-NSHDSACASA-N 2 2 243.351 1.404 10 30 BDEELP Cc1cc(NCCC[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000157378328 385153943 /nfs/dbraw/zinc/15/39/43/385153943.db2.gz MBIMXVXDSVQKDE-UHFFFAOYSA-N 2 2 232.331 1.934 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 ZINC000575555654 387693908 /nfs/dbraw/zinc/69/39/08/387693908.db2.gz ANUPGVFIONXTOU-NXEZZACHSA-N 2 2 200.713 1.280 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 ZINC000575555654 387693914 /nfs/dbraw/zinc/69/39/14/387693914.db2.gz ANUPGVFIONXTOU-NXEZZACHSA-N 2 2 200.713 1.280 10 30 BDEELP N#Cc1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616612048 349472560 /nfs/dbraw/zinc/47/25/60/349472560.db2.gz KZFRYWQUPQOGBD-ZDUSSCGKSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1cccc([C@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616612048 349472563 /nfs/dbraw/zinc/47/25/63/349472563.db2.gz KZFRYWQUPQOGBD-ZDUSSCGKSA-N 2 2 215.300 1.306 10 30 BDEELP C#CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000037186883 188151870 /nfs/dbraw/zinc/15/18/70/188151870.db2.gz VRRDHLUUPXTWLQ-UHFFFAOYSA-N 2 2 206.333 1.616 10 30 BDEELP Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])c(C#N)c[nH+]1 ZINC000398997418 353483651 /nfs/dbraw/zinc/48/36/51/353483651.db2.gz AUIKKLIRAXOIKS-WPRPVWTQSA-N 2 2 218.304 1.221 10 30 BDEELP N#C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826391 181058827 /nfs/dbraw/zinc/05/88/27/181058827.db2.gz XCORIUIFWXNTHW-NWDGAFQWSA-N 2 2 218.304 1.555 10 30 BDEELP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000061891106 358936756 /nfs/dbraw/zinc/93/67/56/358936756.db2.gz LPXXJPBFDPCHNL-AAEUAGOBSA-N 2 2 221.348 1.753 10 30 BDEELP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C#N ZINC000600710951 369559779 /nfs/dbraw/zinc/55/97/79/369559779.db2.gz QYQIGXRLKASXOL-RISCZKNCSA-N 2 2 229.327 1.646 10 30 BDEELP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C#N ZINC000600710951 369559784 /nfs/dbraw/zinc/55/97/84/369559784.db2.gz QYQIGXRLKASXOL-RISCZKNCSA-N 2 2 229.327 1.646 10 30 BDEELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000309249303 386037971 /nfs/dbraw/zinc/03/79/71/386037971.db2.gz ZIMIOFMGLQDPQX-GXFFZTMASA-N 2 2 215.300 1.480 10 30 BDEELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000309249303 386037978 /nfs/dbraw/zinc/03/79/78/386037978.db2.gz ZIMIOFMGLQDPQX-GXFFZTMASA-N 2 2 215.300 1.480 10 30 BDEELP Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399064327 386671823 /nfs/dbraw/zinc/67/18/23/386671823.db2.gz KGYBTRZGWVCCTP-PWSUYJOCSA-N 2 2 230.315 1.223 10 30 BDEELP C#CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515768 388165704 /nfs/dbraw/zinc/16/57/04/388165704.db2.gz FUBCLJREZIRGFO-GFCCVEGCSA-N 2 2 215.300 1.449 10 30 BDEELP C#CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515768 388165706 /nfs/dbraw/zinc/16/57/06/388165706.db2.gz FUBCLJREZIRGFO-GFCCVEGCSA-N 2 2 215.300 1.449 10 30 BDEELP CC(C)N[C@@H](C#N)CC[N@H+](C)CCC[NH+](C)C ZINC000104192345 167128998 /nfs/dbraw/zinc/12/89/98/167128998.db2.gz SUSLUAFCRMBYCN-CYBMUJFWSA-N 2 2 240.395 1.150 10 30 BDEELP CC(C)N[C@@H](C#N)CC[N@@H+](C)CCC[NH+](C)C ZINC000104192345 167129000 /nfs/dbraw/zinc/12/90/00/167129000.db2.gz SUSLUAFCRMBYCN-CYBMUJFWSA-N 2 2 240.395 1.150 10 30 BDEELP CC[C@H](C#N)[NH+]1CCC(C[NH2+]CCOC)CC1 ZINC000104421498 171219066 /nfs/dbraw/zinc/21/90/66/171219066.db2.gz RUONDQJHQXTCNG-CYBMUJFWSA-N 2 2 239.363 1.237 10 30 BDEELP C[C@@H]1C[N@H+](CCC[C@](C)([NH3+])C#N)CCCO1 ZINC000061933076 176289979 /nfs/dbraw/zinc/28/99/79/176289979.db2.gz DDGNPNDGSYEKHV-NEPJUHHUSA-N 2 2 225.336 1.118 10 30 BDEELP C[C@@H]1C[N@@H+](CCC[C@](C)([NH3+])C#N)CCCO1 ZINC000061933076 176289980 /nfs/dbraw/zinc/28/99/80/176289980.db2.gz DDGNPNDGSYEKHV-NEPJUHHUSA-N 2 2 225.336 1.118 10 30 BDEELP C[C@@H]1CCC[C@H](C)[N@H+]1CCC/C(N)=[NH+]/O ZINC000019519631 177115673 /nfs/dbraw/zinc/11/56/73/177115673.db2.gz KHZPYQKIQZHQSN-AOOOYVTPSA-N 2 2 213.325 1.776 10 30 BDEELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCC/C(N)=[NH+]/O ZINC000019519631 177115675 /nfs/dbraw/zinc/11/56/75/177115675.db2.gz KHZPYQKIQZHQSN-AOOOYVTPSA-N 2 2 213.325 1.776 10 30 BDEELP CC[NH+]1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000156534417 345173049 /nfs/dbraw/zinc/17/30/49/345173049.db2.gz DDFGQKZWSWDCHQ-UHFFFAOYSA-N 2 2 244.342 1.712 10 30 BDEELP c1ccc2c(NC3=[NH+]CCN3)cc[nH+]c2c1 ZINC000145762335 345943719 /nfs/dbraw/zinc/94/37/19/345943719.db2.gz YQUZWAPDAWZCIB-UHFFFAOYSA-N 2 2 212.256 1.415 10 30 BDEELP CC#CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000160084159 353252819 /nfs/dbraw/zinc/25/28/19/353252819.db2.gz CYBHDAHJBZJQOD-ZDUSSCGKSA-N 2 2 229.327 1.839 10 30 BDEELP CC#CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000160084159 353252823 /nfs/dbraw/zinc/25/28/23/353252823.db2.gz CYBHDAHJBZJQOD-ZDUSSCGKSA-N 2 2 229.327 1.839 10 30 BDEELP Cc1cc(NCCC[NH2+]C(C)C)c(C#N)c[nH+]1 ZINC000574442994 365061758 /nfs/dbraw/zinc/06/17/58/365061758.db2.gz FRFZFCLZSMNSSE-UHFFFAOYSA-N 2 2 232.331 1.484 10 30 BDEELP Cc1cc(NC[C@H]([NH3+])C(C)C)c(C#N)c[nH+]1 ZINC000398994574 386408435 /nfs/dbraw/zinc/40/84/35/386408435.db2.gz NXRJMWDWZAEFHM-NSHDSACASA-N 2 2 218.304 1.079 10 30 BDEELP CCOC1CC[NH+](CCCC/C(N)=[NH+]\O)CC1 ZINC000049580232 170332149 /nfs/dbraw/zinc/33/21/49/170332149.db2.gz MZJGPRNYWQHDDC-UHFFFAOYSA-N 2 2 243.351 1.404 10 30 BDEELP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCC/C(N)=[NH+]/O ZINC000049580258 171112871 /nfs/dbraw/zinc/11/28/71/171112871.db2.gz ZWRUICGEJAPMQQ-GHMZBOCLSA-N 2 2 243.351 1.402 10 30 BDEELP CC[C@@H]1CSC(N[C@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000042548583 171113434 /nfs/dbraw/zinc/11/34/34/171113434.db2.gz XLNQJDRMYBASOH-BDAKNGLRSA-N 2 2 213.350 1.162 10 30 BDEELP Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000127350788 178118364 /nfs/dbraw/zinc/11/83/64/178118364.db2.gz CEFVKKYHQVCCSD-GFCCVEGCSA-N 2 2 244.342 1.710 10 30 BDEELP N#Cc1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616612390 349517418 /nfs/dbraw/zinc/51/74/18/349517418.db2.gz NTOLTIXWDHHLNN-ZDUSSCGKSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616612390 349517423 /nfs/dbraw/zinc/51/74/23/349517423.db2.gz NTOLTIXWDHHLNN-ZDUSSCGKSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616622024 343525285 /nfs/dbraw/zinc/52/52/85/343525285.db2.gz YGGAZLWFFUFQSA-ZDUSSCGKSA-N 2 2 229.327 1.696 10 30 BDEELP N#Cc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616622024 343525288 /nfs/dbraw/zinc/52/52/88/343525288.db2.gz YGGAZLWFFUFQSA-ZDUSSCGKSA-N 2 2 229.327 1.696 10 30 BDEELP Cc1[nH+]ccn1CC[N@@H+](CCC#N)C(C)C ZINC000042530824 180252176 /nfs/dbraw/zinc/25/21/76/180252176.db2.gz BSBZHNXVORGLFF-UHFFFAOYSA-N 2 2 220.320 1.816 10 30 BDEELP Cc1[nH+]ccn1CC[N@H+](CCC#N)C(C)C ZINC000042530824 180252180 /nfs/dbraw/zinc/25/21/80/180252180.db2.gz BSBZHNXVORGLFF-UHFFFAOYSA-N 2 2 220.320 1.816 10 30 BDEELP C=C(Br)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000306477273 360123471 /nfs/dbraw/zinc/12/34/71/360123471.db2.gz KMQJKFCDSFOZMB-SNVBAGLBSA-N 2 2 247.180 1.956 10 30 BDEELP C=C(Br)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000306477273 360123472 /nfs/dbraw/zinc/12/34/72/360123472.db2.gz KMQJKFCDSFOZMB-SNVBAGLBSA-N 2 2 247.180 1.956 10 30 BDEELP [NH3+]CC#Cc1cc(F)ccc1Cn1cc[nH+]c1 ZINC000049610076 181345823 /nfs/dbraw/zinc/34/58/23/181345823.db2.gz VSBFJAOIILLZQS-UHFFFAOYSA-N 2 2 229.258 1.381 10 30 BDEELP Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C#N)c[nH+]1 ZINC000398992112 386409559 /nfs/dbraw/zinc/40/95/59/386409559.db2.gz MJJHMFPRBNQDJJ-QMTHXVAHSA-N 2 2 244.342 1.683 10 30 BDEELP Cc1cc(N(C)CCC[NH3+])c(C#N)c[nH+]1 ZINC000399007120 386504384 /nfs/dbraw/zinc/50/43/84/386504384.db2.gz ZJJWZYQFVHHTQE-UHFFFAOYSA-N 2 2 204.277 1.047 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555655 387694295 /nfs/dbraw/zinc/69/42/95/387694295.db2.gz ANUPGVFIONXTOU-UWVGGRQHSA-N 2 2 200.713 1.280 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555655 387694298 /nfs/dbraw/zinc/69/42/98/387694298.db2.gz ANUPGVFIONXTOU-UWVGGRQHSA-N 2 2 200.713 1.280 10 30 BDEELP Cc1cc(N(C)CC[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000157437315 398260458 /nfs/dbraw/zinc/26/04/58/398260458.db2.gz VVEDQSBJFAXACF-UHFFFAOYSA-N 2 2 232.331 1.568 10 30 BDEELP Cc1cc(N2CCCCC[C@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000600958188 344461042 /nfs/dbraw/zinc/46/10/42/344461042.db2.gz AQWAHPJJIGQMTJ-ZDUSSCGKSA-N 2 2 244.342 1.969 10 30 BDEELP Cc1[nH+]cn(CCC[C@](C)([NH3+])C#N)c1C ZINC000051928055 180287993 /nfs/dbraw/zinc/28/79/93/180287993.db2.gz DCHDGEUWQMZKRG-NSHDSACASA-N 2 2 206.293 1.521 10 30 BDEELP C=C(Cl)C[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000168111781 351294761 /nfs/dbraw/zinc/29/47/61/351294761.db2.gz BHNILUKEGAPJSN-UHFFFAOYSA-N 2 2 202.729 1.813 10 30 BDEELP C=C(Cl)C[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000168111781 351294765 /nfs/dbraw/zinc/29/47/65/351294765.db2.gz BHNILUKEGAPJSN-UHFFFAOYSA-N 2 2 202.729 1.813 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C ZINC000168319039 351375759 /nfs/dbraw/zinc/37/57/59/351375759.db2.gz GXTFRJPOGZRBPD-AEJSXWLSSA-N 2 2 247.180 1.953 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C ZINC000168319039 351375765 /nfs/dbraw/zinc/37/57/65/351375765.db2.gz GXTFRJPOGZRBPD-AEJSXWLSSA-N 2 2 247.180 1.953 10 30 BDEELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000336753158 353100748 /nfs/dbraw/zinc/10/07/48/353100748.db2.gz DVCJXMJIEXFVGC-AGIUHOORSA-N 2 2 221.348 1.753 10 30 BDEELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000336753158 353100751 /nfs/dbraw/zinc/10/07/51/353100751.db2.gz DVCJXMJIEXFVGC-AGIUHOORSA-N 2 2 221.348 1.753 10 30 BDEELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054828383 188300591 /nfs/dbraw/zinc/30/05/91/188300591.db2.gz BXQSFFBNGDHZOB-GHMZBOCLSA-N 2 2 218.304 1.244 10 30 BDEELP Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)c(C#N)c[nH+]1 ZINC000600955822 369576398 /nfs/dbraw/zinc/57/63/98/369576398.db2.gz RQSJGDIIKSSGEZ-JOYOIKCWSA-N 2 2 230.315 1.236 10 30 BDEELP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054824961 385664263 /nfs/dbraw/zinc/66/42/63/385664263.db2.gz QWVZBXKWRXAFFB-ZYHUDNBSSA-N 2 2 207.321 1.362 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C ZINC000575541883 385952432 /nfs/dbraw/zinc/95/24/32/385952432.db2.gz LUEWRUSSQKUGII-ZJUUUORDSA-N 2 2 202.729 1.811 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C ZINC000575541883 385952439 /nfs/dbraw/zinc/95/24/39/385952439.db2.gz LUEWRUSSQKUGII-ZJUUUORDSA-N 2 2 202.729 1.811 10 30 BDEELP Cc1cc(N[C@H](C)CCCC[NH3+])c(C#N)c[nH+]1 ZINC000399020130 386615437 /nfs/dbraw/zinc/61/54/37/386615437.db2.gz DTGPXYQQHPALKH-SNVBAGLBSA-N 2 2 232.331 1.613 10 30 BDEELP C=CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178286290 166356338 /nfs/dbraw/zinc/35/63/38/166356338.db2.gz XHCBAPLMBJWYNQ-GFCCVEGCSA-N 2 2 205.305 1.842 10 30 BDEELP C=CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178286290 166356342 /nfs/dbraw/zinc/35/63/42/166356342.db2.gz XHCBAPLMBJWYNQ-GFCCVEGCSA-N 2 2 205.305 1.842 10 30 BDEELP CC(C)N[C@H](C#N)CC[N@H+](C)CCC[NH+](C)C ZINC000104192342 167137046 /nfs/dbraw/zinc/13/70/46/167137046.db2.gz SUSLUAFCRMBYCN-ZDUSSCGKSA-N 2 2 240.395 1.150 10 30 BDEELP CC(C)N[C@H](C#N)CC[N@@H+](C)CCC[NH+](C)C ZINC000104192342 167137049 /nfs/dbraw/zinc/13/70/49/167137049.db2.gz SUSLUAFCRMBYCN-ZDUSSCGKSA-N 2 2 240.395 1.150 10 30 BDEELP Cc1cc(N2CC[C@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000127350579 178119026 /nfs/dbraw/zinc/11/90/26/178119026.db2.gz CEFVKKYHQVCCSD-LBPRGKRZSA-N 2 2 244.342 1.710 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251803833 362926090 /nfs/dbraw/zinc/92/60/90/362926090.db2.gz OFNOZHYNVAUMEI-NXEZZACHSA-N 2 2 247.180 1.954 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251803833 362926091 /nfs/dbraw/zinc/92/60/91/362926091.db2.gz OFNOZHYNVAUMEI-NXEZZACHSA-N 2 2 247.180 1.954 10 30 BDEELP N#C[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000054828282 181059865 /nfs/dbraw/zinc/05/98/65/181059865.db2.gz AAHAFJFZOZQVNT-QWHCGFSZSA-N 2 2 232.331 1.945 10 30 BDEELP N/C(CCCC[N@H+]1CCc2ccccc2C1)=[NH+]/O ZINC000049580126 181182407 /nfs/dbraw/zinc/18/24/07/181182407.db2.gz KTZBNLAXDZQULP-UHFFFAOYSA-N 2 2 247.342 1.961 10 30 BDEELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309910245 370274758 /nfs/dbraw/zinc/27/47/58/370274758.db2.gz MGNJJSSWYZSNQR-UMSGYPCISA-N 2 2 221.348 1.608 10 30 BDEELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309910245 370274763 /nfs/dbraw/zinc/27/47/63/370274763.db2.gz MGNJJSSWYZSNQR-UMSGYPCISA-N 2 2 221.348 1.608 10 30 BDEELP Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000398999671 386504405 /nfs/dbraw/zinc/50/44/05/386504405.db2.gz RLBQSRYBYNAMHW-VXGBXAGGSA-N 2 2 244.342 1.484 10 30 BDEELP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262031762 135275145 /nfs/dbraw/zinc/27/51/45/135275145.db2.gz XMNUQJDEZFDTGA-TUAOUCFPSA-N 2 2 244.766 1.486 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000401851074 397984727 /nfs/dbraw/zinc/98/47/27/397984727.db2.gz SQHUGXPVDCVQBT-JQWIXIFHSA-N 2 2 218.304 1.244 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054827509 172395068 /nfs/dbraw/zinc/39/50/68/172395068.db2.gz LZFIRZNYAYSOJU-NWDGAFQWSA-N 2 2 223.364 1.999 10 30 BDEELP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC[NH3+] ZINC000054416710 176013022 /nfs/dbraw/zinc/01/30/22/176013022.db2.gz KASWZBQNGMLPNY-JTQLQIEISA-N 2 2 203.289 1.510 10 30 BDEELP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC[NH3+] ZINC000054416710 176013024 /nfs/dbraw/zinc/01/30/24/176013024.db2.gz KASWZBQNGMLPNY-JTQLQIEISA-N 2 2 203.289 1.510 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000157394695 345237556 /nfs/dbraw/zinc/23/75/56/345237556.db2.gz VDIIWUXMDHEQBL-IUCAKERBSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000157394695 345237559 /nfs/dbraw/zinc/23/75/59/345237559.db2.gz VDIIWUXMDHEQBL-IUCAKERBSA-N 2 2 233.153 1.564 10 30 BDEELP N#C[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309544862 347097816 /nfs/dbraw/zinc/09/78/16/347097816.db2.gz ZKHYABKUYPREBF-NWDGAFQWSA-N 2 2 218.304 1.555 10 30 BDEELP N#C[C@@H]1CCCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826395 181058754 /nfs/dbraw/zinc/05/87/54/181058754.db2.gz FKAKIDWNNNNBFB-QWHCGFSZSA-N 2 2 232.331 1.945 10 30 BDEELP Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C#N)c[nH+]1 ZINC000600955820 369578490 /nfs/dbraw/zinc/57/84/90/369578490.db2.gz RQSJGDIIKSSGEZ-BXKDBHETSA-N 2 2 230.315 1.236 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249294 386685788 /nfs/dbraw/zinc/68/57/88/386685788.db2.gz YSKNTSAGNZVVJA-MRVPVSSYSA-N 2 2 219.126 1.176 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249294 386685798 /nfs/dbraw/zinc/68/57/98/386685798.db2.gz YSKNTSAGNZVVJA-MRVPVSSYSA-N 2 2 219.126 1.176 10 30 BDEELP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086944 176013733 /nfs/dbraw/zinc/01/37/33/176013733.db2.gz TVGCOASKKAAEFT-LBPRGKRZSA-N 2 2 229.327 1.915 10 30 BDEELP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000038086944 176013736 /nfs/dbraw/zinc/01/37/36/176013736.db2.gz TVGCOASKKAAEFT-LBPRGKRZSA-N 2 2 229.327 1.915 10 30 BDEELP C[C@H]1C[N@H+](CCC[C@](C)([NH3+])C#N)CCCO1 ZINC000061933077 177249167 /nfs/dbraw/zinc/24/91/67/177249167.db2.gz DDGNPNDGSYEKHV-RYUDHWBXSA-N 2 2 225.336 1.118 10 30 BDEELP C[C@H]1C[N@@H+](CCC[C@](C)([NH3+])C#N)CCCO1 ZINC000061933077 177249168 /nfs/dbraw/zinc/24/91/68/177249168.db2.gz DDGNPNDGSYEKHV-RYUDHWBXSA-N 2 2 225.336 1.118 10 30 BDEELP C#CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070246076 643004983 /nfs/dbraw/zinc/00/49/83/643004983.db2.gz PJFLAVYJGQVPOY-UHFFFAOYSA-N 2 2 225.295 1.985 10 30 BDEELP Cc1cc2[nH+]cn(CC[C@@H]([NH3+])C#N)c2cc1C ZINC000062439901 178304994 /nfs/dbraw/zinc/30/49/94/178304994.db2.gz XZDDKLSLPGCGLL-LLVKDONJSA-N 2 2 228.299 1.894 10 30 BDEELP C[N@@H+]1CC[C@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336269982 136263725 /nfs/dbraw/zinc/26/37/25/136263725.db2.gz ANYGLLJBORMUTE-AWEZNQCLSA-N 2 2 233.359 1.708 10 30 BDEELP C[N@H+]1CC[C@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336269982 136263726 /nfs/dbraw/zinc/26/37/26/136263726.db2.gz ANYGLLJBORMUTE-AWEZNQCLSA-N 2 2 233.359 1.708 10 30 BDEELP C[NH+]1CC[C@]2(CC[N@H+](CC3(C#N)CCC3)C2)C1 ZINC000336269982 136263727 /nfs/dbraw/zinc/26/37/27/136263727.db2.gz ANYGLLJBORMUTE-AWEZNQCLSA-N 2 2 233.359 1.708 10 30 BDEELP C[NH+]1CC[C@]2(CC[N@@H+](CC3(C#N)CCC3)C2)C1 ZINC000336269982 136263728 /nfs/dbraw/zinc/26/37/28/136263728.db2.gz ANYGLLJBORMUTE-AWEZNQCLSA-N 2 2 233.359 1.708 10 30 BDEELP N#Cc1ccccc1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616623199 351088642 /nfs/dbraw/zinc/08/86/42/351088642.db2.gz CKKGSQJTUZQFKW-GFCCVEGCSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1ccccc1[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000616623199 351088644 /nfs/dbraw/zinc/08/86/44/351088644.db2.gz CKKGSQJTUZQFKW-GFCCVEGCSA-N 2 2 215.300 1.306 10 30 BDEELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054828388 188300806 /nfs/dbraw/zinc/30/08/06/188300806.db2.gz BXQSFFBNGDHZOB-WDEREUQCSA-N 2 2 218.304 1.244 10 30 BDEELP C=C(Br)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750461 188319574 /nfs/dbraw/zinc/31/95/74/188319574.db2.gz REQRPRQMNIJPGM-PBINXNQUSA-N 2 2 245.164 1.849 10 30 BDEELP C=C(Br)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750461 188319576 /nfs/dbraw/zinc/31/95/76/188319576.db2.gz REQRPRQMNIJPGM-PBINXNQUSA-N 2 2 245.164 1.849 10 30 BDEELP Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c(C#N)c[nH+]1 ZINC000398997415 353483594 /nfs/dbraw/zinc/48/35/94/353483594.db2.gz AUIKKLIRAXOIKS-PSASIEDQSA-N 2 2 218.304 1.221 10 30 BDEELP Oc1ccccc1C=[NH+]CCc1c[nH]c[nH+]1 ZINC000038296693 358145111 /nfs/dbraw/zinc/14/51/11/358145111.db2.gz PQYKKHCXZJQVLL-NTUHNPAUSA-N 2 2 215.256 1.777 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000252554459 363892383 /nfs/dbraw/zinc/89/23/83/363892383.db2.gz HNKSCHOOJOSVKM-GUBZILKMSA-N 2 2 245.164 1.435 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000252554459 363892389 /nfs/dbraw/zinc/89/23/89/363892389.db2.gz HNKSCHOOJOSVKM-GUBZILKMSA-N 2 2 245.164 1.435 10 30 BDEELP Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)c(C#N)c[nH+]1 ZINC000600963871 369581411 /nfs/dbraw/zinc/58/14/11/369581411.db2.gz HONXNLUBYZVUSF-AULYBMBSSA-N 2 2 244.342 1.613 10 30 BDEELP C[NH2+]C[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399010516 386549581 /nfs/dbraw/zinc/54/95/81/386549581.db2.gz XHBQYTFYPFDFDU-LBPRGKRZSA-N 2 2 244.342 1.698 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250675837 135058200 /nfs/dbraw/zinc/05/82/00/135058200.db2.gz WPJYXVFTUSSPBU-XUXIUFHCSA-N 2 2 233.359 1.895 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250675837 135058202 /nfs/dbraw/zinc/05/82/02/135058202.db2.gz WPJYXVFTUSSPBU-XUXIUFHCSA-N 2 2 233.359 1.895 10 30 BDEELP CN(C)C(=[NH2+])NC(N)=[NH+]SC1CCCCC1 ZINC000042963719 172349692 /nfs/dbraw/zinc/34/96/92/172349692.db2.gz DMVXKZHKPIBUAT-UHFFFAOYSA-N 2 2 243.380 1.158 10 30 BDEELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000037647458 173118500 /nfs/dbraw/zinc/11/85/00/173118500.db2.gz WLIJKLWSIVINRT-LBPRGKRZSA-N 2 2 229.327 1.600 10 30 BDEELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000037647458 173118502 /nfs/dbraw/zinc/11/85/02/173118502.db2.gz WLIJKLWSIVINRT-LBPRGKRZSA-N 2 2 229.327 1.600 10 30 BDEELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000042545615 173123810 /nfs/dbraw/zinc/12/38/10/173123810.db2.gz JHWFULAIBYRIER-CYBMUJFWSA-N 2 2 245.326 1.383 10 30 BDEELP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000042545615 173123814 /nfs/dbraw/zinc/12/38/14/173123814.db2.gz JHWFULAIBYRIER-CYBMUJFWSA-N 2 2 245.326 1.383 10 30 BDEELP C[C@H]1CCC[C@H](C)[NH+]1CCC/C(N)=[NH+]/O ZINC000019519632 177131240 /nfs/dbraw/zinc/13/12/40/177131240.db2.gz KHZPYQKIQZHQSN-UWVGGRQHSA-N 2 2 213.325 1.776 10 30 BDEELP Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000398999669 398247871 /nfs/dbraw/zinc/24/78/71/398247871.db2.gz RLBQSRYBYNAMHW-RYUDHWBXSA-N 2 2 244.342 1.484 10 30 BDEELP C[NH2+]C[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399080645 398282821 /nfs/dbraw/zinc/28/28/21/398282821.db2.gz RQNHEMFOWOEFPW-LLVKDONJSA-N 2 2 230.315 1.307 10 30 BDEELP C=C(Br)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300821852 343401370 /nfs/dbraw/zinc/40/13/70/343401370.db2.gz IWTHELSXVJNWLB-VIFPVBQESA-N 2 2 247.180 1.873 10 30 BDEELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000336753159 353100636 /nfs/dbraw/zinc/10/06/36/353100636.db2.gz DVCJXMJIEXFVGC-AVGNSLFASA-N 2 2 221.348 1.753 10 30 BDEELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000336753159 353100637 /nfs/dbraw/zinc/10/06/37/353100637.db2.gz DVCJXMJIEXFVGC-AVGNSLFASA-N 2 2 221.348 1.753 10 30 BDEELP Cc1cc(NCC2CC[NH2+]CC2)c(C#N)c[nH+]1 ZINC000399099834 355368431 /nfs/dbraw/zinc/36/84/31/355368431.db2.gz ZUDQSXXRJCAUIM-UHFFFAOYSA-N 2 2 230.315 1.095 10 30 BDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C ZINC000252554460 363892400 /nfs/dbraw/zinc/89/24/00/363892400.db2.gz HNKSCHOOJOSVKM-KXUCPTDWSA-N 2 2 245.164 1.435 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C ZINC000252554460 363892408 /nfs/dbraw/zinc/89/24/08/363892408.db2.gz HNKSCHOOJOSVKM-KXUCPTDWSA-N 2 2 245.164 1.435 10 30 BDEELP Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000600962410 369579719 /nfs/dbraw/zinc/57/97/19/369579719.db2.gz WQVONNMRCVQOSA-SKDRFNHKSA-N 2 2 230.315 1.293 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC[N@@H+]1C ZINC000252217943 370002782 /nfs/dbraw/zinc/00/27/82/370002782.db2.gz ZQOSDBGYQBCYOL-XQHKEYJVSA-N 2 2 221.348 1.751 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC[N@H+]1C ZINC000252217943 370002784 /nfs/dbraw/zinc/00/27/84/370002784.db2.gz ZQOSDBGYQBCYOL-XQHKEYJVSA-N 2 2 221.348 1.751 10 30 BDEELP C[C@H](CC#N)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251504007 135070641 /nfs/dbraw/zinc/07/06/41/135070641.db2.gz HWBGDSHMIIHJFQ-AGIUHOORSA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251504007 135070642 /nfs/dbraw/zinc/07/06/42/135070642.db2.gz HWBGDSHMIIHJFQ-AGIUHOORSA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251504007 135070645 /nfs/dbraw/zinc/07/06/45/135070645.db2.gz HWBGDSHMIIHJFQ-AGIUHOORSA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251504007 135070646 /nfs/dbraw/zinc/07/06/46/135070646.db2.gz HWBGDSHMIIHJFQ-AGIUHOORSA-N 2 2 221.348 1.705 10 30 BDEELP N#Cc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000034409279 136096032 /nfs/dbraw/zinc/09/60/32/136096032.db2.gz MMEHFLFBVOVBKH-AWEZNQCLSA-N 2 2 229.327 1.871 10 30 BDEELP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000034409279 136096033 /nfs/dbraw/zinc/09/60/33/136096033.db2.gz MMEHFLFBVOVBKH-AWEZNQCLSA-N 2 2 229.327 1.871 10 30 BDEELP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[N@H+](C)C1 ZINC000061891836 176896111 /nfs/dbraw/zinc/89/61/11/176896111.db2.gz OLUXBAMYBAEURM-REWJHTLYSA-N 2 2 235.375 1.999 10 30 BDEELP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[N@@H+](C)C1 ZINC000061891836 176896113 /nfs/dbraw/zinc/89/61/13/176896113.db2.gz OLUXBAMYBAEURM-REWJHTLYSA-N 2 2 235.375 1.999 10 30 BDEELP N#Cc1ccc([C@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616622052 343525274 /nfs/dbraw/zinc/52/52/74/343525274.db2.gz ZYOHKPVWGGNVEH-AWEZNQCLSA-N 2 2 229.327 1.696 10 30 BDEELP N#Cc1ccc([C@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616622052 343525277 /nfs/dbraw/zinc/52/52/77/343525277.db2.gz ZYOHKPVWGGNVEH-AWEZNQCLSA-N 2 2 229.327 1.696 10 30 BDEELP Cc1cc(NCCC2(C[NH3+])CC2)c(C#N)c[nH+]1 ZINC000404853057 351070472 /nfs/dbraw/zinc/07/04/72/351070472.db2.gz RRTATIHVDBEGHH-UHFFFAOYSA-N 2 2 230.315 1.225 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C ZINC000168318750 351376134 /nfs/dbraw/zinc/37/61/34/351376134.db2.gz GXTFRJPOGZRBPD-UTLUCORTSA-N 2 2 247.180 1.953 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C ZINC000168318750 351376137 /nfs/dbraw/zinc/37/61/37/351376137.db2.gz GXTFRJPOGZRBPD-UTLUCORTSA-N 2 2 247.180 1.953 10 30 BDEELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000336753161 353100576 /nfs/dbraw/zinc/10/05/76/353100576.db2.gz DVCJXMJIEXFVGC-XQQFMLRXSA-N 2 2 221.348 1.753 10 30 BDEELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000336753161 353100578 /nfs/dbraw/zinc/10/05/78/353100578.db2.gz DVCJXMJIEXFVGC-XQQFMLRXSA-N 2 2 221.348 1.753 10 30 BDEELP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061891103 358936022 /nfs/dbraw/zinc/93/60/22/358936022.db2.gz LPXXJPBFDPCHNL-DGCLKSJQSA-N 2 2 221.348 1.753 10 30 BDEELP [NH3+]CC#Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000049610070 181346257 /nfs/dbraw/zinc/34/62/57/181346257.db2.gz WORNEELTLMPNIM-UHFFFAOYSA-N 2 2 211.268 1.242 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000252560904 363892206 /nfs/dbraw/zinc/89/22/06/363892206.db2.gz UHYSNCHXNPPQFH-GUBZILKMSA-N 2 2 200.713 1.279 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000252560904 363892214 /nfs/dbraw/zinc/89/22/14/363892214.db2.gz UHYSNCHXNPPQFH-GUBZILKMSA-N 2 2 200.713 1.279 10 30 BDEELP Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)c(C#N)c[nH+]1 ZINC000600962407 369582474 /nfs/dbraw/zinc/58/24/74/369582474.db2.gz WQVONNMRCVQOSA-BXKDBHETSA-N 2 2 230.315 1.293 10 30 BDEELP C[NH2+]CC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000398988582 386326177 /nfs/dbraw/zinc/32/61/77/386326177.db2.gz JOIISJZGTMZZMM-UHFFFAOYSA-N 2 2 244.342 1.698 10 30 BDEELP C=C(Cl)C[NH+]1C[C@H](C)C([NH3+])[C@@H](C)C1 ZINC000575549605 387647817 /nfs/dbraw/zinc/64/78/17/387647817.db2.gz LAXZLKNALNLJTB-YUMQZZPRSA-N 2 2 202.729 1.654 10 30 BDEELP CC[C@@H]1CSC(N[C@@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000042548578 171114672 /nfs/dbraw/zinc/11/46/72/171114672.db2.gz XLNQJDRMYBASOH-RKDXNWHRSA-N 2 2 213.350 1.162 10 30 BDEELP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000042545621 173152074 /nfs/dbraw/zinc/15/20/74/173152074.db2.gz ZGJUYPUWMSUJFA-ZDUSSCGKSA-N 2 2 245.326 1.383 10 30 BDEELP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000042545621 173152075 /nfs/dbraw/zinc/15/20/75/173152075.db2.gz ZGJUYPUWMSUJFA-ZDUSSCGKSA-N 2 2 245.326 1.383 10 30 BDEELP C[C@@H]1CCC[C@@H](C)[NH+]1CCC/C(N)=[NH+]/O ZINC000019519630 176115779 /nfs/dbraw/zinc/11/57/79/176115779.db2.gz KHZPYQKIQZHQSN-NXEZZACHSA-N 2 2 213.325 1.776 10 30 BDEELP C[C@@H]1C[C@@H](C)C[NH+](CCC/C(N)=[NH+]/O)C1 ZINC000019423926 176360624 /nfs/dbraw/zinc/36/06/24/176360624.db2.gz JANWEQOGCZETPL-NXEZZACHSA-N 2 2 213.325 1.491 10 30 BDEELP Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c(C#N)c[nH+]1 ZINC000398952672 267340570 /nfs/dbraw/zinc/34/05/70/267340570.db2.gz CQPZGPVVKAEUNE-WDEREUQCSA-N 2 2 230.315 1.435 10 30 BDEELP C=CCNc1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC000259023314 342822039 /nfs/dbraw/zinc/82/20/39/342822039.db2.gz SIARDVGULQLJJU-UHFFFAOYSA-N 2 2 233.319 1.002 10 30 BDEELP C=CCNc1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC000259023314 342822041 /nfs/dbraw/zinc/82/20/41/342822041.db2.gz SIARDVGULQLJJU-UHFFFAOYSA-N 2 2 233.319 1.002 10 30 BDEELP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1[NH3+] ZINC000235663536 344974522 /nfs/dbraw/zinc/97/45/22/344974522.db2.gz RXBQZQTULKBFCX-GWCFXTLKSA-N 2 2 215.300 1.337 10 30 BDEELP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1[NH3+] ZINC000235663536 344974524 /nfs/dbraw/zinc/97/45/24/344974524.db2.gz RXBQZQTULKBFCX-GWCFXTLKSA-N 2 2 215.300 1.337 10 30 BDEELP Cc1cc(N(C)CC(C)(C)[NH3+])c(C#N)c[nH+]1 ZINC000594692283 348100117 /nfs/dbraw/zinc/10/01/17/348100117.db2.gz UBIUIAUJJHXVNR-UHFFFAOYSA-N 2 2 218.304 1.435 10 30 BDEELP CN/C(=[NH+]/C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072815616 350232935 /nfs/dbraw/zinc/23/29/35/350232935.db2.gz QFMITISRKFZAPH-UHFFFAOYSA-N 2 2 246.358 1.009 10 30 BDEELP CC(C)NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262022966 535124319 /nfs/dbraw/zinc/12/43/19/535124319.db2.gz YMFDJDIGXFHSAH-UHFFFAOYSA-N 2 2 235.335 1.032 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030047 350901134 /nfs/dbraw/zinc/90/11/34/350901134.db2.gz OFNOZHYNVAUMEI-VHSXEESVSA-N 2 2 247.180 1.954 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030047 350901137 /nfs/dbraw/zinc/90/11/37/350901137.db2.gz OFNOZHYNVAUMEI-VHSXEESVSA-N 2 2 247.180 1.954 10 30 BDEELP C#CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034992267 188233559 /nfs/dbraw/zinc/23/35/59/188233559.db2.gz PVPCYRGNGMXNEN-UHFFFAOYSA-N 2 2 211.268 1.595 10 30 BDEELP N#C[C@H]1CCCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826394 181067433 /nfs/dbraw/zinc/06/74/33/181067433.db2.gz FKAKIDWNNNNBFB-OLZOCXBDSA-N 2 2 232.331 1.945 10 30 BDEELP N#Cc1ccc(F)c(Cn2cc[nH+]c2CC[NH3+])c1 ZINC000062802693 181114327 /nfs/dbraw/zinc/11/43/27/181114327.db2.gz ISEJVMDAYBQYAY-UHFFFAOYSA-N 2 2 244.273 1.443 10 30 BDEELP [NH3+]CC#Cc1cc(Cn2cc[nH+]c2)ccc1F ZINC000049610077 181345680 /nfs/dbraw/zinc/34/56/80/181345680.db2.gz UCGCDVNTLCQDJB-UHFFFAOYSA-N 2 2 229.258 1.381 10 30 BDEELP CCCC[C@H](C[NH3+])Nc1cc(C)[nH+]cc1C#N ZINC000399020873 386616474 /nfs/dbraw/zinc/61/64/74/386616474.db2.gz FGXIQGXIKMTGPS-GFCCVEGCSA-N 2 2 232.331 1.613 10 30 BDEELP Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399064324 386672115 /nfs/dbraw/zinc/67/21/15/386672115.db2.gz KGYBTRZGWVCCTP-JQWIXIFHSA-N 2 2 230.315 1.223 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000575541880 387595822 /nfs/dbraw/zinc/59/58/22/387595822.db2.gz LUEWRUSSQKUGII-UWVGGRQHSA-N 2 2 202.729 1.811 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000575541880 387595826 /nfs/dbraw/zinc/59/58/26/387595826.db2.gz LUEWRUSSQKUGII-UWVGGRQHSA-N 2 2 202.729 1.811 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555657 387693748 /nfs/dbraw/zinc/69/37/48/387693748.db2.gz ANUPGVFIONXTOU-ZJUUUORDSA-N 2 2 200.713 1.280 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555657 387693752 /nfs/dbraw/zinc/69/37/52/387693752.db2.gz ANUPGVFIONXTOU-ZJUUUORDSA-N 2 2 200.713 1.280 10 30 BDEELP COCC[N@H+](CCC/C(N)=[NH+]/O)[C@@H](C)C1CC1 ZINC000042679922 174290089 /nfs/dbraw/zinc/29/00/89/174290089.db2.gz PEAFFVKPMXDONU-JTQLQIEISA-N 2 2 243.351 1.260 10 30 BDEELP COCC[N@@H+](CCC/C(N)=[NH+]/O)[C@@H](C)C1CC1 ZINC000042679922 174290091 /nfs/dbraw/zinc/29/00/91/174290091.db2.gz PEAFFVKPMXDONU-JTQLQIEISA-N 2 2 243.351 1.260 10 30 BDEELP COc1ccc(C#CC[NH3+])cc1Cn1cc[nH+]c1 ZINC000049610071 175051045 /nfs/dbraw/zinc/05/10/45/175051045.db2.gz RNZXZZGSYBJQET-UHFFFAOYSA-N 2 2 241.294 1.250 10 30 BDEELP C=C(Br)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126883669 342799545 /nfs/dbraw/zinc/79/95/45/342799545.db2.gz OOFRYVUJAFOZAV-IUCAKERBSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126883669 342799546 /nfs/dbraw/zinc/79/95/46/342799546.db2.gz OOFRYVUJAFOZAV-IUCAKERBSA-N 2 2 233.153 1.564 10 30 BDEELP C[N@@H+]1CC[C@@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336269983 136263712 /nfs/dbraw/zinc/26/37/12/136263712.db2.gz ANYGLLJBORMUTE-CQSZACIVSA-N 2 2 233.359 1.708 10 30 BDEELP C[N@H+]1CC[C@@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336269983 136263713 /nfs/dbraw/zinc/26/37/13/136263713.db2.gz ANYGLLJBORMUTE-CQSZACIVSA-N 2 2 233.359 1.708 10 30 BDEELP C[NH+]1CC[C@@]2(CC[N@H+](CC3(C#N)CCC3)C2)C1 ZINC000336269983 136263714 /nfs/dbraw/zinc/26/37/14/136263714.db2.gz ANYGLLJBORMUTE-CQSZACIVSA-N 2 2 233.359 1.708 10 30 BDEELP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(C#N)CCC3)C2)C1 ZINC000336269983 136263715 /nfs/dbraw/zinc/26/37/15/136263715.db2.gz ANYGLLJBORMUTE-CQSZACIVSA-N 2 2 233.359 1.708 10 30 BDEELP C=C(Cl)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226467170 345228495 /nfs/dbraw/zinc/22/84/95/345228495.db2.gz GEXWGHFQLKLNRL-SNVBAGLBSA-N 2 2 202.729 1.813 10 30 BDEELP C=C(Cl)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226467170 345228496 /nfs/dbraw/zinc/22/84/96/345228496.db2.gz GEXWGHFQLKLNRL-SNVBAGLBSA-N 2 2 202.729 1.813 10 30 BDEELP Cc1[nH+]ccn1CC[NH+]1CCC(=NO)CC1 ZINC000049330675 180251386 /nfs/dbraw/zinc/25/13/86/180251386.db2.gz KMSMRHOMHZNBNH-UHFFFAOYSA-N 2 2 222.292 1.118 10 30 BDEELP N#Cc1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616606767 350798189 /nfs/dbraw/zinc/79/81/89/350798189.db2.gz FYKMEPMAFIQDLK-CYBMUJFWSA-N 2 2 215.300 1.654 10 30 BDEELP N#Cc1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616606767 350798191 /nfs/dbraw/zinc/79/81/91/350798191.db2.gz FYKMEPMAFIQDLK-CYBMUJFWSA-N 2 2 215.300 1.654 10 30 BDEELP C=C(C[NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000231587931 350851021 /nfs/dbraw/zinc/85/10/21/350851021.db2.gz NSAWDLAPEYIXJF-UHFFFAOYSA-N 2 2 208.330 1.621 10 30 BDEELP C=C(C[NH3+])C[N@H+]1CCc2sccc2C1 ZINC000231587931 350851025 /nfs/dbraw/zinc/85/10/25/350851025.db2.gz NSAWDLAPEYIXJF-UHFFFAOYSA-N 2 2 208.330 1.621 10 30 BDEELP C#CC[NH+]1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000045117463 188326384 /nfs/dbraw/zinc/32/63/84/188326384.db2.gz GKYSEVLEJLDMTM-LBPRGKRZSA-N 2 2 206.333 1.472 10 30 BDEELP C#CC[NH+]1CCC([NH2+]Cc2nccs2)CC1 ZINC000041012766 188396654 /nfs/dbraw/zinc/39/66/54/188396654.db2.gz CWUGWOGDWJDFFG-UHFFFAOYSA-N 2 2 235.356 1.330 10 30 BDEELP C#CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281774 353741235 /nfs/dbraw/zinc/74/12/35/353741235.db2.gz VKIPUWGTRYDDMJ-HNNXBMFYSA-N 2 2 243.354 1.469 10 30 BDEELP C#CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281774 353741237 /nfs/dbraw/zinc/74/12/37/353741237.db2.gz VKIPUWGTRYDDMJ-HNNXBMFYSA-N 2 2 243.354 1.469 10 30 BDEELP C#CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281774 353741239 /nfs/dbraw/zinc/74/12/39/353741239.db2.gz VKIPUWGTRYDDMJ-HNNXBMFYSA-N 2 2 243.354 1.469 10 30 BDEELP C#CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281774 353741241 /nfs/dbraw/zinc/74/12/41/353741241.db2.gz VKIPUWGTRYDDMJ-HNNXBMFYSA-N 2 2 243.354 1.469 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054825750 181059663 /nfs/dbraw/zinc/05/96/63/181059663.db2.gz WFONYVCMTRRFHH-OBJOEFQTSA-N 2 2 233.359 1.753 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054825750 181059666 /nfs/dbraw/zinc/05/96/66/181059666.db2.gz WFONYVCMTRRFHH-OBJOEFQTSA-N 2 2 233.359 1.753 10 30 BDEELP N#C[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000054826389 181069289 /nfs/dbraw/zinc/06/92/89/181069289.db2.gz XCORIUIFWXNTHW-VXGBXAGGSA-N 2 2 218.304 1.555 10 30 BDEELP C=C(Br)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300821851 360523068 /nfs/dbraw/zinc/52/30/68/360523068.db2.gz IWTHELSXVJNWLB-SECBINFHSA-N 2 2 247.180 1.873 10 30 BDEELP [NH3+]CC#Cc1ccccc1Cn1cc[nH+]c1 ZINC000049610069 181348674 /nfs/dbraw/zinc/34/86/74/181348674.db2.gz BJJKNRLIMZXHMZ-UHFFFAOYSA-N 2 2 211.268 1.242 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C ZINC000575541882 385953594 /nfs/dbraw/zinc/95/35/94/385953594.db2.gz LUEWRUSSQKUGII-VHSXEESVSA-N 2 2 202.729 1.811 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C ZINC000575541882 385953596 /nfs/dbraw/zinc/95/35/96/385953596.db2.gz LUEWRUSSQKUGII-VHSXEESVSA-N 2 2 202.729 1.811 10 30 BDEELP Cc1cc(NC[C@]2(C)CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399001983 386504450 /nfs/dbraw/zinc/50/44/50/386504450.db2.gz SYSPDZLWXVIESA-CQSZACIVSA-N 2 2 244.342 1.485 10 30 BDEELP C[C@H](CC#N)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251504008 135070350 /nfs/dbraw/zinc/07/03/50/135070350.db2.gz HWBGDSHMIIHJFQ-UPJWGTAASA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251504008 135070351 /nfs/dbraw/zinc/07/03/51/135070351.db2.gz HWBGDSHMIIHJFQ-UPJWGTAASA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251504008 135070354 /nfs/dbraw/zinc/07/03/54/135070354.db2.gz HWBGDSHMIIHJFQ-UPJWGTAASA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251504008 135070355 /nfs/dbraw/zinc/07/03/55/135070355.db2.gz HWBGDSHMIIHJFQ-UPJWGTAASA-N 2 2 221.348 1.705 10 30 BDEELP N#C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310323447 136220606 /nfs/dbraw/zinc/22/06/06/136220606.db2.gz ZMWOHVNIKOYKLY-SMDDNHRTSA-N 2 2 233.359 1.895 10 30 BDEELP N#Cc1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616607093 350800122 /nfs/dbraw/zinc/80/01/22/350800122.db2.gz FYKMEPMAFIQDLK-ZDUSSCGKSA-N 2 2 215.300 1.654 10 30 BDEELP N#Cc1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616607093 350800127 /nfs/dbraw/zinc/80/01/27/350800127.db2.gz FYKMEPMAFIQDLK-ZDUSSCGKSA-N 2 2 215.300 1.654 10 30 BDEELP Cc1cc(NCC[C@H]2CC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399031446 353707602 /nfs/dbraw/zinc/70/76/02/353707602.db2.gz JSRYSQWLNRUJSD-LLVKDONJSA-N 2 2 230.315 1.095 10 30 BDEELP N#C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054825749 181068655 /nfs/dbraw/zinc/06/86/55/181068655.db2.gz WFONYVCMTRRFHH-SCRDCRAPSA-N 2 2 233.359 1.753 10 30 BDEELP N#C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054825749 181068657 /nfs/dbraw/zinc/06/86/57/181068657.db2.gz WFONYVCMTRRFHH-SCRDCRAPSA-N 2 2 233.359 1.753 10 30 BDEELP [NH3+]CC#Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000049610075 181346088 /nfs/dbraw/zinc/34/60/88/181346088.db2.gz ZQNFNNMSHNGWHA-UHFFFAOYSA-N 2 2 211.268 1.242 10 30 BDEELP Cc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1C#N ZINC000600704863 369559879 /nfs/dbraw/zinc/55/98/79/369559879.db2.gz QOZVCWZBSUSPAK-AWEZNQCLSA-N 2 2 229.327 1.790 10 30 BDEELP Cc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1C#N ZINC000600704863 369559882 /nfs/dbraw/zinc/55/98/82/369559882.db2.gz QOZVCWZBSUSPAK-AWEZNQCLSA-N 2 2 229.327 1.790 10 30 BDEELP C=C(Br)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531479 384778031 /nfs/dbraw/zinc/77/80/31/384778031.db2.gz CYZNWFAYNDWHRB-VIFPVBQESA-N 2 2 233.153 1.566 10 30 BDEELP C=C(Br)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531479 384778036 /nfs/dbraw/zinc/77/80/36/384778036.db2.gz CYZNWFAYNDWHRB-VIFPVBQESA-N 2 2 233.153 1.566 10 30 BDEELP Cc1cc(N[C@H](CC[NH3+])C(F)F)c(C#N)c[nH+]1 ZINC000399082635 386198718 /nfs/dbraw/zinc/19/87/18/386198718.db2.gz QEHZMOXLIGZYEJ-SECBINFHSA-N 2 2 240.257 1.078 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000228598809 388386358 /nfs/dbraw/zinc/38/63/58/388386358.db2.gz UHYSNCHXNPPQFH-LPEHRKFASA-N 2 2 200.713 1.279 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000228598809 388386360 /nfs/dbraw/zinc/38/63/60/388386360.db2.gz UHYSNCHXNPPQFH-LPEHRKFASA-N 2 2 200.713 1.279 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000250675834 135057929 /nfs/dbraw/zinc/05/79/29/135057929.db2.gz WPJYXVFTUSSPBU-FQUUOJAGSA-N 2 2 233.359 1.895 10 30 BDEELP N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000250675834 135057930 /nfs/dbraw/zinc/05/79/30/135057930.db2.gz WPJYXVFTUSSPBU-FQUUOJAGSA-N 2 2 233.359 1.895 10 30 BDEELP Cc1cc(NC[C@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399081413 398283046 /nfs/dbraw/zinc/28/30/46/398283046.db2.gz RZOSHVBESJVPBE-NSHDSACASA-N 2 2 230.315 1.095 10 30 BDEELP Cc1cc(NCC2([NH3+])CCCC2)c(C#N)c[nH+]1 ZINC000594694178 348101239 /nfs/dbraw/zinc/10/12/39/348101239.db2.gz BKKNKRWMFFVODC-UHFFFAOYSA-N 2 2 230.315 1.367 10 30 BDEELP C=CCCSCC[NH2+][C@H]1CC[NH2+]C1 ZINC000596651391 348605846 /nfs/dbraw/zinc/60/58/46/348605846.db2.gz PEKBUFXAXZUBJO-JTQLQIEISA-N 2 2 200.351 1.247 10 30 BDEELP N#Cc1cccc([C@@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616625371 351093742 /nfs/dbraw/zinc/09/37/42/351093742.db2.gz KZFRYWQUPQOGBD-CYBMUJFWSA-N 2 2 215.300 1.306 10 30 BDEELP N#Cc1cccc([C@@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616625371 351093744 /nfs/dbraw/zinc/09/37/44/351093744.db2.gz KZFRYWQUPQOGBD-CYBMUJFWSA-N 2 2 215.300 1.306 10 30 BDEELP C=C(Br)C[NH2+]C1CC[NH2+]CC1 ZINC000168236190 351347992 /nfs/dbraw/zinc/34/79/92/351347992.db2.gz WCOKCZLGFKCOFZ-UHFFFAOYSA-N 2 2 219.126 1.237 10 30 BDEELP C=CC[N@@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032010394 166341570 /nfs/dbraw/zinc/34/15/70/166341570.db2.gz QPSGUQAIOFZJQC-UHFFFAOYSA-N 2 2 204.317 1.942 10 30 BDEELP C=CC[N@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032010394 166341574 /nfs/dbraw/zinc/34/15/74/166341574.db2.gz QPSGUQAIOFZJQC-UHFFFAOYSA-N 2 2 204.317 1.942 10 30 BDEELP N/C(CCCC[N@H+](CCO)C1CCCC1)=[NH+]/O ZINC000042507723 181183030 /nfs/dbraw/zinc/18/30/30/181183030.db2.gz DGWBVJULCZQDGX-UHFFFAOYSA-N 2 2 243.351 1.140 10 30 BDEELP N/C(CCCC[N@@H+](CCO)C1CCCC1)=[NH+]/O ZINC000042507723 181183033 /nfs/dbraw/zinc/18/30/33/181183033.db2.gz DGWBVJULCZQDGX-UHFFFAOYSA-N 2 2 243.351 1.140 10 30 BDEELP Cc1cc(NCC[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000087975034 356382289 /nfs/dbraw/zinc/38/22/89/356382289.db2.gz UYXKWIYZXKOCDM-UHFFFAOYSA-N 2 2 218.304 1.544 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC[N@@H+]1C ZINC000156090068 371352856 /nfs/dbraw/zinc/35/28/56/371352856.db2.gz ZQOSDBGYQBCYOL-FDYHWXHSSA-N 2 2 221.348 1.751 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC[N@H+]1C ZINC000156090068 371352860 /nfs/dbraw/zinc/35/28/60/371352860.db2.gz ZQOSDBGYQBCYOL-FDYHWXHSSA-N 2 2 221.348 1.751 10 30 BDEELP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000054824965 384818126 /nfs/dbraw/zinc/81/81/26/384818126.db2.gz QMWPNMARDJEGSZ-DGCLKSJQSA-N 2 2 221.348 1.753 10 30 BDEELP C[NH2+][C@H](C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000584598708 385465452 /nfs/dbraw/zinc/46/54/52/385465452.db2.gz CYUMOKWPRQMMJU-CQSZACIVSA-N 2 2 229.327 1.915 10 30 BDEELP C[NH2+][C@@H](C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000584598703 385465632 /nfs/dbraw/zinc/46/56/32/385465632.db2.gz CYUMOKWPRQMMJU-AWEZNQCLSA-N 2 2 229.327 1.915 10 30 BDEELP CCC[NH2+]CCNc1cc(C)[nH+]cc1C#N ZINC000399004397 386505077 /nfs/dbraw/zinc/50/50/77/386505077.db2.gz WBPRMXANVPQVIA-UHFFFAOYSA-N 2 2 218.304 1.095 10 30 BDEELP C[NH2+]C[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399010515 386549353 /nfs/dbraw/zinc/54/93/53/386549353.db2.gz XHBQYTFYPFDFDU-GFCCVEGCSA-N 2 2 244.342 1.698 10 30 BDEELP CC[NH2+][C@](C)(C#N)CCC[N@H+](C)CCN(C)C ZINC000104191195 170169439 /nfs/dbraw/zinc/16/94/39/170169439.db2.gz WNGXEKIYIZMGOZ-ZDUSSCGKSA-N 2 2 240.395 1.152 10 30 BDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)CCN(C)C ZINC000104191195 170169440 /nfs/dbraw/zinc/16/94/40/170169440.db2.gz WNGXEKIYIZMGOZ-ZDUSSCGKSA-N 2 2 240.395 1.152 10 30 BDEELP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054824966 172997424 /nfs/dbraw/zinc/99/74/24/172997424.db2.gz QMWPNMARDJEGSZ-YPMHNXCESA-N 2 2 221.348 1.753 10 30 BDEELP C[C@@H]1C[C@H](C)C[N@@H+](CCC/C(N)=[NH+]/O)C1 ZINC000019423928 177313102 /nfs/dbraw/zinc/31/31/02/177313102.db2.gz JANWEQOGCZETPL-AOOOYVTPSA-N 2 2 213.325 1.491 10 30 BDEELP C[C@@H]1C[C@H](C)C[N@H+](CCC/C(N)=[NH+]/O)C1 ZINC000019423928 177313103 /nfs/dbraw/zinc/31/31/03/177313103.db2.gz JANWEQOGCZETPL-AOOOYVTPSA-N 2 2 213.325 1.491 10 30 BDEELP CCC(CC)[N@H+](CCC/C(N)=[NH+]/O)CCOC ZINC000042679909 168373174 /nfs/dbraw/zinc/37/31/74/168373174.db2.gz DLGBRGYQFVZKEL-UHFFFAOYSA-N 2 2 245.367 1.650 10 30 BDEELP CCC(CC)[N@@H+](CCC/C(N)=[NH+]/O)CCOC ZINC000042679909 168373177 /nfs/dbraw/zinc/37/31/77/168373177.db2.gz DLGBRGYQFVZKEL-UHFFFAOYSA-N 2 2 245.367 1.650 10 30 BDEELP Cc1[nH+]c2ccccc2n1CC[C@@H]([NH3+])C#N ZINC000062439954 180104451 /nfs/dbraw/zinc/10/44/51/180104451.db2.gz NRKGGQGSIDFWQH-SNVBAGLBSA-N 2 2 214.272 1.586 10 30 BDEELP N#Cc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616608202 350801065 /nfs/dbraw/zinc/80/10/65/350801065.db2.gz NZSZVNBUMXKBKP-ZDUSSCGKSA-N 2 2 215.300 1.654 10 30 BDEELP N#Cc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616608202 350801066 /nfs/dbraw/zinc/80/10/66/350801066.db2.gz NZSZVNBUMXKBKP-ZDUSSCGKSA-N 2 2 215.300 1.654 10 30 BDEELP N#C[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072686 181070134 /nfs/dbraw/zinc/07/01/34/181070134.db2.gz LLNMQUZNNVNQMX-CHWSQXEVSA-N 2 2 221.348 1.754 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C ZINC000252560905 363892944 /nfs/dbraw/zinc/89/29/44/363892944.db2.gz UHYSNCHXNPPQFH-KXUCPTDWSA-N 2 2 200.713 1.279 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C ZINC000252560905 363892948 /nfs/dbraw/zinc/89/29/48/363892948.db2.gz UHYSNCHXNPPQFH-KXUCPTDWSA-N 2 2 200.713 1.279 10 30 BDEELP [NH3+]CC[N@@H+]1CC[C@@]2(CC[C@@H](CS)C2)C1 ZINC000095077592 181393741 /nfs/dbraw/zinc/39/37/41/181393741.db2.gz PEAIAIUAWWIIPW-GHMZBOCLSA-N 2 2 214.378 1.367 10 30 BDEELP [NH3+]CC[N@H+]1CC[C@@]2(CC[C@@H](CS)C2)C1 ZINC000095077592 181393742 /nfs/dbraw/zinc/39/37/42/181393742.db2.gz PEAIAIUAWWIIPW-GHMZBOCLSA-N 2 2 214.378 1.367 10 30 BDEELP Cc1cc(N2CCC[C@@H](CC[NH3+])C2)c(C#N)c[nH+]1 ZINC000398977539 386280376 /nfs/dbraw/zinc/28/03/76/386280376.db2.gz DNGGGXMHGHEKPT-LBPRGKRZSA-N 2 2 244.342 1.827 10 30 BDEELP CC[N@H+](C)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000133756598 388389516 /nfs/dbraw/zinc/38/95/16/388389516.db2.gz UXJMMHVPNXNSOI-UHFFFAOYSA-N 2 2 232.331 1.934 10 30 BDEELP CC[N@@H+](C)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000133756598 388389520 /nfs/dbraw/zinc/38/95/20/388389520.db2.gz UXJMMHVPNXNSOI-UHFFFAOYSA-N 2 2 232.331 1.934 10 30 BDEELP C=CC[NH+](CC=C)Cc1cc(C[NH2+]CC)no1 ZINC000052376509 166335055 /nfs/dbraw/zinc/33/50/55/166335055.db2.gz JNRMUGRQOOBJLF-UHFFFAOYSA-N 2 2 235.331 1.958 10 30 BDEELP C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822056 173143750 /nfs/dbraw/zinc/14/37/50/173143750.db2.gz GQQAPMXQTDVBQN-YNEHKIRRSA-N 2 2 221.348 1.562 10 30 BDEELP C[N@@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822056 173143753 /nfs/dbraw/zinc/14/37/53/173143753.db2.gz GQQAPMXQTDVBQN-YNEHKIRRSA-N 2 2 221.348 1.562 10 30 BDEELP C[NH+](C[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822056 173143755 /nfs/dbraw/zinc/14/37/55/173143755.db2.gz GQQAPMXQTDVBQN-YNEHKIRRSA-N 2 2 221.348 1.562 10 30 BDEELP C[NH+](C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822056 173143756 /nfs/dbraw/zinc/14/37/56/173143756.db2.gz GQQAPMXQTDVBQN-YNEHKIRRSA-N 2 2 221.348 1.562 10 30 BDEELP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC[NH3+] ZINC000054416711 177032098 /nfs/dbraw/zinc/03/20/98/177032098.db2.gz KASWZBQNGMLPNY-SNVBAGLBSA-N 2 2 203.289 1.510 10 30 BDEELP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[NH3+] ZINC000054416711 177032101 /nfs/dbraw/zinc/03/21/01/177032101.db2.gz KASWZBQNGMLPNY-SNVBAGLBSA-N 2 2 203.289 1.510 10 30 BDEELP [NH3+]CC[N@@H+]1CC[C@@]2(CC[C@H](CS)C2)C1 ZINC000247744728 344391740 /nfs/dbraw/zinc/39/17/40/344391740.db2.gz PEAIAIUAWWIIPW-WDEREUQCSA-N 2 2 214.378 1.367 10 30 BDEELP [NH3+]CC[N@H+]1CC[C@@]2(CC[C@H](CS)C2)C1 ZINC000247744728 344391741 /nfs/dbraw/zinc/39/17/41/344391741.db2.gz PEAIAIUAWWIIPW-WDEREUQCSA-N 2 2 214.378 1.367 10 30 BDEELP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600710949 369561349 /nfs/dbraw/zinc/56/13/49/369561349.db2.gz QYQIGXRLKASXOL-FZMZJTMJSA-N 2 2 229.327 1.646 10 30 BDEELP Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600710949 369561352 /nfs/dbraw/zinc/56/13/52/369561352.db2.gz QYQIGXRLKASXOL-FZMZJTMJSA-N 2 2 229.327 1.646 10 30 BDEELP C=C(Cl)C[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C ZINC000575541876 387596405 /nfs/dbraw/zinc/59/64/05/387596405.db2.gz LUEWRUSSQKUGII-NXEZZACHSA-N 2 2 202.729 1.811 10 30 BDEELP C=C(Cl)C[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C ZINC000575541876 387596410 /nfs/dbraw/zinc/59/64/10/387596410.db2.gz LUEWRUSSQKUGII-NXEZZACHSA-N 2 2 202.729 1.811 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054827500 172398146 /nfs/dbraw/zinc/39/81/46/172398146.db2.gz YNCSEHVEBNSQBH-MNOVXSKESA-N 2 2 209.337 1.608 10 30 BDEELP C=CCCc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000409428412 343802985 /nfs/dbraw/zinc/80/29/85/343802985.db2.gz FAKGWCCYNCUJPA-UHFFFAOYSA-N 2 2 232.331 1.313 10 30 BDEELP N#Cc1ccccc1C1CC[NH+](CC[NH3+])CC1 ZINC000616619497 350927733 /nfs/dbraw/zinc/92/77/33/350927733.db2.gz JSSLFUXISPCVCG-UHFFFAOYSA-N 2 2 229.327 1.696 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C ZINC000168318932 351375696 /nfs/dbraw/zinc/37/56/96/351375696.db2.gz GXTFRJPOGZRBPD-BBBLOLIVSA-N 2 2 247.180 1.953 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C ZINC000168318932 351375700 /nfs/dbraw/zinc/37/57/00/351375700.db2.gz GXTFRJPOGZRBPD-BBBLOLIVSA-N 2 2 247.180 1.953 10 30 BDEELP N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054825748 181061044 /nfs/dbraw/zinc/06/10/44/181061044.db2.gz WFONYVCMTRRFHH-SGMGOOAPSA-N 2 2 233.359 1.753 10 30 BDEELP N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054825748 181061045 /nfs/dbraw/zinc/06/10/45/181061045.db2.gz WFONYVCMTRRFHH-SGMGOOAPSA-N 2 2 233.359 1.753 10 30 BDEELP N#Cc1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054765011 181109506 /nfs/dbraw/zinc/10/95/06/181109506.db2.gz QISRUBSORTWCEU-UHFFFAOYSA-N 2 2 212.256 1.571 10 30 BDEELP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054824967 384819270 /nfs/dbraw/zinc/81/92/70/384819270.db2.gz QMWPNMARDJEGSZ-WCQYABFASA-N 2 2 221.348 1.753 10 30 BDEELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000309249305 386037023 /nfs/dbraw/zinc/03/70/23/386037023.db2.gz ZIMIOFMGLQDPQX-MFKMUULPSA-N 2 2 215.300 1.480 10 30 BDEELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000309249305 386037031 /nfs/dbraw/zinc/03/70/31/386037031.db2.gz ZIMIOFMGLQDPQX-MFKMUULPSA-N 2 2 215.300 1.480 10 30 BDEELP CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399372988 386757502 /nfs/dbraw/zinc/75/75/02/386757502.db2.gz LDYQIVANGNMVOU-CYBMUJFWSA-N 2 2 244.342 1.580 10 30 BDEELP CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399372988 386757505 /nfs/dbraw/zinc/75/75/05/386757505.db2.gz LDYQIVANGNMVOU-CYBMUJFWSA-N 2 2 244.342 1.580 10 30 BDEELP Cc1cc(NCC[C@@H]([NH3+])C(C)C)c(C#N)c[nH+]1 ZINC000596026702 388400436 /nfs/dbraw/zinc/40/04/36/388400436.db2.gz KGILIPTZHUNISL-GFCCVEGCSA-N 2 2 232.331 1.469 10 30 BDEELP C[C@H](CC#N)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220900829 134314811 /nfs/dbraw/zinc/31/48/11/134314811.db2.gz HWBGDSHMIIHJFQ-FRRDWIJNSA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220900829 134314812 /nfs/dbraw/zinc/31/48/12/134314812.db2.gz HWBGDSHMIIHJFQ-FRRDWIJNSA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220900829 134314813 /nfs/dbraw/zinc/31/48/13/134314813.db2.gz HWBGDSHMIIHJFQ-FRRDWIJNSA-N 2 2 221.348 1.705 10 30 BDEELP C[C@H](CC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220900829 134314814 /nfs/dbraw/zinc/31/48/14/134314814.db2.gz HWBGDSHMIIHJFQ-FRRDWIJNSA-N 2 2 221.348 1.705 10 30 BDEELP C#CC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000049900612 166187607 /nfs/dbraw/zinc/18/76/07/166187607.db2.gz PKRLGRYDZJPKQR-UHFFFAOYSA-N 2 2 213.284 1.568 10 30 BDEELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000054827503 172397148 /nfs/dbraw/zinc/39/71/48/172397148.db2.gz YNCSEHVEBNSQBH-QWRGUYRKSA-N 2 2 209.337 1.608 10 30 BDEELP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1[NH3+] ZINC000300049458 177263865 /nfs/dbraw/zinc/26/38/65/177263865.db2.gz RXBQZQTULKBFCX-GXFFZTMASA-N 2 2 215.300 1.337 10 30 BDEELP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1[NH3+] ZINC000300049458 177263867 /nfs/dbraw/zinc/26/38/67/177263867.db2.gz RXBQZQTULKBFCX-GXFFZTMASA-N 2 2 215.300 1.337 10 30 BDEELP Cc1cc(N(C)CC(C)(C)C[NH3+])c(C#N)c[nH+]1 ZINC000399079220 398282980 /nfs/dbraw/zinc/28/29/80/398282980.db2.gz RELRMROUEFFMES-UHFFFAOYSA-N 2 2 232.331 1.683 10 30 BDEELP C=CCCSCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000596651392 348605820 /nfs/dbraw/zinc/60/58/20/348605820.db2.gz PEKBUFXAXZUBJO-SNVBAGLBSA-N 2 2 200.351 1.247 10 30 BDEELP CC[NH2+]CCCNc1cc(C)[nH+]cc1C#N ZINC000399004411 353551759 /nfs/dbraw/zinc/55/17/59/353551759.db2.gz WBZZRNRSDXLWNN-UHFFFAOYSA-N 2 2 218.304 1.095 10 30 BDEELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309910249 370275194 /nfs/dbraw/zinc/27/51/94/370275194.db2.gz MGNJJSSWYZSNQR-ZDEQEGDKSA-N 2 2 221.348 1.608 10 30 BDEELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309910249 370275198 /nfs/dbraw/zinc/27/51/98/370275198.db2.gz MGNJJSSWYZSNQR-ZDEQEGDKSA-N 2 2 221.348 1.608 10 30 BDEELP CCC([NH3+])(CC)CNc1cc(C)[nH+]cc1C#N ZINC000399017202 386550899 /nfs/dbraw/zinc/55/08/99/386550899.db2.gz CSBMDOKGYYHBKQ-UHFFFAOYSA-N 2 2 232.331 1.613 10 30 BDEELP CC[C@H](C)[N@H+](CCCC/C(N)=[NH+]/O)CCOC ZINC000042583764 171313701 /nfs/dbraw/zinc/31/37/01/171313701.db2.gz SASBWGMDDMJJFS-NSHDSACASA-N 2 2 245.367 1.650 10 30 BDEELP CC[C@H](C)[N@@H+](CCCC/C(N)=[NH+]/O)CCOC ZINC000042583764 171313703 /nfs/dbraw/zinc/31/37/03/171313703.db2.gz SASBWGMDDMJJFS-NSHDSACASA-N 2 2 245.367 1.650 10 30 BDEELP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1[NH3+] ZINC000235366461 344893805 /nfs/dbraw/zinc/89/38/05/344893805.db2.gz RXBQZQTULKBFCX-MFKMUULPSA-N 2 2 215.300 1.337 10 30 BDEELP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1[NH3+] ZINC000235366461 344893808 /nfs/dbraw/zinc/89/38/08/344893808.db2.gz RXBQZQTULKBFCX-MFKMUULPSA-N 2 2 215.300 1.337 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000157394834 345258937 /nfs/dbraw/zinc/25/89/37/345258937.db2.gz VDIIWUXMDHEQBL-BDAKNGLRSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000157394834 345258939 /nfs/dbraw/zinc/25/89/39/345258939.db2.gz VDIIWUXMDHEQBL-BDAKNGLRSA-N 2 2 233.153 1.564 10 30 BDEELP N#C[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309544861 347097518 /nfs/dbraw/zinc/09/75/18/347097518.db2.gz ZKHYABKUYPREBF-NEPJUHHUSA-N 2 2 218.304 1.555 10 30 BDEELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000401851073 348202295 /nfs/dbraw/zinc/20/22/95/348202295.db2.gz SQHUGXPVDCVQBT-CMPLNLGQSA-N 2 2 218.304 1.244 10 30 BDEELP C=C(Br)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251676296 362897093 /nfs/dbraw/zinc/89/70/93/362897093.db2.gz HPEOZLRODZHIIX-VXNVDRBHSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251676296 362897099 /nfs/dbraw/zinc/89/70/99/362897099.db2.gz HPEOZLRODZHIIX-VXNVDRBHSA-N 2 2 233.153 1.564 10 30 BDEELP Cc1[nH+]c2ccccc2n1CC[C@H]([NH3+])C#N ZINC000062439953 180102634 /nfs/dbraw/zinc/10/26/34/180102634.db2.gz NRKGGQGSIDFWQH-JTQLQIEISA-N 2 2 214.272 1.586 10 30 BDEELP C=C(Cl)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C ZINC000167975406 351141686 /nfs/dbraw/zinc/14/16/86/351141686.db2.gz XNMAGHCLNXDXPM-BBBLOLIVSA-N 2 2 202.729 1.797 10 30 BDEELP C=C(Cl)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C ZINC000167975406 351141691 /nfs/dbraw/zinc/14/16/91/351141691.db2.gz XNMAGHCLNXDXPM-BBBLOLIVSA-N 2 2 202.729 1.797 10 30 BDEELP N#C[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000054828280 181068531 /nfs/dbraw/zinc/06/85/31/181068531.db2.gz AAHAFJFZOZQVNT-OLZOCXBDSA-N 2 2 232.331 1.945 10 30 BDEELP N#Cc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000083354760 181137826 /nfs/dbraw/zinc/13/78/26/181137826.db2.gz YYPIPXAUOHSXMA-UHFFFAOYSA-N 2 2 226.283 1.614 10 30 BDEELP N#Cc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000083354760 181137829 /nfs/dbraw/zinc/13/78/29/181137829.db2.gz YYPIPXAUOHSXMA-UHFFFAOYSA-N 2 2 226.283 1.614 10 30 BDEELP N/C(CCC[N@H+]1CCc2ccccc2C1)=[NH+]\O ZINC000019486789 181182382 /nfs/dbraw/zinc/18/23/82/181182382.db2.gz FFRBATDJUNWJQR-UHFFFAOYSA-N 2 2 233.315 1.571 10 30 BDEELP N/C(CCC[N@H+](CCO)C1CCCCC1)=[NH+]/O ZINC000042507629 181182449 /nfs/dbraw/zinc/18/24/49/181182449.db2.gz XGPNHPHNEFCVGX-UHFFFAOYSA-N 2 2 243.351 1.140 10 30 BDEELP N/C(CCC[N@@H+](CCO)C1CCCCC1)=[NH+]/O ZINC000042507629 181182453 /nfs/dbraw/zinc/18/24/53/181182453.db2.gz XGPNHPHNEFCVGX-UHFFFAOYSA-N 2 2 243.351 1.140 10 30 BDEELP C=C(Cl)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000306390347 359747153 /nfs/dbraw/zinc/74/71/53/359747153.db2.gz YIPCLOLHFYSDOJ-SECBINFHSA-N 2 2 202.729 1.798 10 30 BDEELP C=C(Cl)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000306390347 359747155 /nfs/dbraw/zinc/74/71/55/359747155.db2.gz YIPCLOLHFYSDOJ-SECBINFHSA-N 2 2 202.729 1.798 10 30 BDEELP C=CCN(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC000139779208 368234855 /nfs/dbraw/zinc/23/48/55/368234855.db2.gz VYWPRWMYQNGPHJ-UHFFFAOYSA-N 2 2 217.316 1.826 10 30 BDEELP Cc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C#N ZINC000600710953 369560906 /nfs/dbraw/zinc/56/09/06/369560906.db2.gz QYQIGXRLKASXOL-SMDDNHRTSA-N 2 2 229.327 1.646 10 30 BDEELP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C#N ZINC000600710953 369560909 /nfs/dbraw/zinc/56/09/09/369560909.db2.gz QYQIGXRLKASXOL-SMDDNHRTSA-N 2 2 229.327 1.646 10 30 BDEELP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000054824964 385665637 /nfs/dbraw/zinc/66/56/37/385665637.db2.gz QWVZBXKWRXAFFB-JQWIXIFHSA-N 2 2 207.321 1.362 10 30 BDEELP Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c(C#N)c[nH+]1 ZINC000398981932 386318253 /nfs/dbraw/zinc/31/82/53/386318253.db2.gz FMWRONXDUMAGEC-ZDUSSCGKSA-N 2 2 230.315 1.437 10 30 BDEELP CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399372989 386758338 /nfs/dbraw/zinc/75/83/38/386758338.db2.gz LDYQIVANGNMVOU-ZDUSSCGKSA-N 2 2 244.342 1.580 10 30 BDEELP CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399372989 386758342 /nfs/dbraw/zinc/75/83/42/386758342.db2.gz LDYQIVANGNMVOU-ZDUSSCGKSA-N 2 2 244.342 1.580 10 30 BDEELP C=C(Cl)C[NH+]1C[C@@H](C)C([NH3+])[C@H](C)C1 ZINC000575549601 387646983 /nfs/dbraw/zinc/64/69/83/387646983.db2.gz LAXZLKNALNLJTB-HTQZYQBOSA-N 2 2 202.729 1.654 10 30 BDEELP C#CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515769 388165797 /nfs/dbraw/zinc/16/57/97/388165797.db2.gz FUBCLJREZIRGFO-LBPRGKRZSA-N 2 2 215.300 1.449 10 30 BDEELP C#CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515769 388165799 /nfs/dbraw/zinc/16/57/99/388165799.db2.gz FUBCLJREZIRGFO-LBPRGKRZSA-N 2 2 215.300 1.449 10 30 BDEELP C=CC[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000052144950 166361282 /nfs/dbraw/zinc/36/12/82/166361282.db2.gz UKQYYIBGIIMZPR-CYBMUJFWSA-N 2 2 202.301 1.558 10 30 BDEELP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000052144950 166361286 /nfs/dbraw/zinc/36/12/86/166361286.db2.gz UKQYYIBGIIMZPR-CYBMUJFWSA-N 2 2 202.301 1.558 10 30 BDEELP CC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399475724 262784601 /nfs/dbraw/zinc/78/46/01/262784601.db2.gz XFMARACUFAVMNF-LBPRGKRZSA-N 2 2 230.315 1.190 10 30 BDEELP CC[N@H+]1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399475724 262784603 /nfs/dbraw/zinc/78/46/03/262784603.db2.gz XFMARACUFAVMNF-LBPRGKRZSA-N 2 2 230.315 1.190 10 30 BDEELP C=C(Br)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126883448 342799527 /nfs/dbraw/zinc/79/95/27/342799527.db2.gz OOFRYVUJAFOZAV-BDAKNGLRSA-N 2 2 233.153 1.564 10 30 BDEELP C=C(Br)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126883448 342799528 /nfs/dbraw/zinc/79/95/28/342799528.db2.gz OOFRYVUJAFOZAV-BDAKNGLRSA-N 2 2 233.153 1.564 10 30 BDEELP C=CC[N@@H+](CC[NH3+])Cc1ccccc1C ZINC000032010392 166342062 /nfs/dbraw/zinc/34/20/62/166342062.db2.gz WCKZQENFPFDISH-UHFFFAOYSA-N 2 2 204.317 1.942 10 30 BDEELP C=CC[N@H+](CC[NH3+])Cc1ccccc1C ZINC000032010392 166342063 /nfs/dbraw/zinc/34/20/63/166342063.db2.gz WCKZQENFPFDISH-UHFFFAOYSA-N 2 2 204.317 1.942 10 30 BDEELP N#C[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000054828278 181070113 /nfs/dbraw/zinc/07/01/13/181070113.db2.gz AAHAFJFZOZQVNT-CHWSQXEVSA-N 2 2 232.331 1.945 10 30 BDEELP N#Cc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000083354761 181108704 /nfs/dbraw/zinc/10/87/04/181108704.db2.gz STOSRWJNGGVQJF-UHFFFAOYSA-N 2 2 226.283 1.614 10 30 BDEELP N#Cc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000083354761 181108705 /nfs/dbraw/zinc/10/87/05/181108705.db2.gz STOSRWJNGGVQJF-UHFFFAOYSA-N 2 2 226.283 1.614 10 30 BDEELP N/C(CCC[N@H+]1CCc2sccc2C1)=[NH+]\O ZINC000019474695 181182676 /nfs/dbraw/zinc/18/26/76/181182676.db2.gz XVUZZNLWJPMITI-UHFFFAOYSA-N 2 2 239.344 1.633 10 30 BDEELP [NH3+]CC#Cc1ccc(Cn2cc[nH+]c2)c(F)c1 ZINC000049610074 181346505 /nfs/dbraw/zinc/34/65/05/181346505.db2.gz XJYKWLLDHPAROQ-UHFFFAOYSA-N 2 2 229.258 1.381 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC[N@@H+]1C ZINC000252217942 370002482 /nfs/dbraw/zinc/00/24/82/370002482.db2.gz ZQOSDBGYQBCYOL-LPWJVIDDSA-N 2 2 221.348 1.751 10 30 BDEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC[N@H+]1C ZINC000252217942 370002486 /nfs/dbraw/zinc/00/24/86/370002486.db2.gz ZQOSDBGYQBCYOL-LPWJVIDDSA-N 2 2 221.348 1.751 10 30 BDEELP CC[NH2+][C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000398996949 386410904 /nfs/dbraw/zinc/41/09/04/386410904.db2.gz APIMHNVOAKJHAO-SNVBAGLBSA-N 2 2 218.304 1.094 10 30 BDEELP CCCC[C@@H](C[NH3+])Nc1cc(C)[nH+]cc1C#N ZINC000399020874 386616085 /nfs/dbraw/zinc/61/60/85/386616085.db2.gz FGXIQGXIKMTGPS-LBPRGKRZSA-N 2 2 232.331 1.613 10 30 BDEELP Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399064321 386672369 /nfs/dbraw/zinc/67/23/69/386672369.db2.gz KGYBTRZGWVCCTP-CMPLNLGQSA-N 2 2 230.315 1.223 10 30 BDEELP C=CC[N@@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032010396 166340761 /nfs/dbraw/zinc/34/07/61/166340761.db2.gz LPLIPNDJGHVULH-UHFFFAOYSA-N 2 2 204.317 1.942 10 30 BDEELP C=CC[N@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032010396 166340765 /nfs/dbraw/zinc/34/07/65/166340765.db2.gz LPLIPNDJGHVULH-UHFFFAOYSA-N 2 2 204.317 1.942 10 30 BDEELP C=CC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000052144951 166362044 /nfs/dbraw/zinc/36/20/44/166362044.db2.gz UKQYYIBGIIMZPR-ZDUSSCGKSA-N 2 2 202.301 1.558 10 30 BDEELP C=CC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000052144951 166362045 /nfs/dbraw/zinc/36/20/45/166362045.db2.gz UKQYYIBGIIMZPR-ZDUSSCGKSA-N 2 2 202.301 1.558 10 30 BDEELP C[N@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822059 173112306 /nfs/dbraw/zinc/11/23/06/173112306.db2.gz GQQAPMXQTDVBQN-JHJVBQTASA-N 2 2 221.348 1.562 10 30 BDEELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822059 173112307 /nfs/dbraw/zinc/11/23/07/173112307.db2.gz GQQAPMXQTDVBQN-JHJVBQTASA-N 2 2 221.348 1.562 10 30 BDEELP C[NH+](C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822059 173112309 /nfs/dbraw/zinc/11/23/09/173112309.db2.gz GQQAPMXQTDVBQN-JHJVBQTASA-N 2 2 221.348 1.562 10 30 BDEELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822059 173112311 /nfs/dbraw/zinc/11/23/11/173112311.db2.gz GQQAPMXQTDVBQN-JHJVBQTASA-N 2 2 221.348 1.562 10 30 BDEELP