smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000309582558 342715916 /nfs/dbraw/zinc/71/59/16/342715916.db2.gz QVSFJCYQHSFEPS-NXEZZACHSA-N 2 2 217.272 0.802 20 30 BCEDLP N#CC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000602725629 349714780 /nfs/dbraw/zinc/71/47/80/349714780.db2.gz SBQKHKOASAWQBI-WXRRBKDZSA-N 2 2 237.347 0.725 20 30 BCEDLP N#CC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000602725629 349714782 /nfs/dbraw/zinc/71/47/82/349714782.db2.gz SBQKHKOASAWQBI-WXRRBKDZSA-N 2 2 237.347 0.725 20 30 BCEDLP CC#CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162559050 349748167 /nfs/dbraw/zinc/74/81/67/349748167.db2.gz QIKPYMVBACWNHT-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP CC#CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162559050 349748168 /nfs/dbraw/zinc/74/81/68/349748168.db2.gz QIKPYMVBACWNHT-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133611178 343185689 /nfs/dbraw/zinc/18/56/89/343185689.db2.gz DOMNVKLATXAPMP-UWVGGRQHSA-N 2 2 211.309 0.100 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133611178 343185691 /nfs/dbraw/zinc/18/56/91/343185691.db2.gz DOMNVKLATXAPMP-UWVGGRQHSA-N 2 2 211.309 0.100 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600729063 344364141 /nfs/dbraw/zinc/36/41/41/344364141.db2.gz WKSNRWXYIKDURL-WDEREUQCSA-N 2 2 211.309 0.192 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000359656900 345091391 /nfs/dbraw/zinc/09/13/91/345091391.db2.gz JBNKWAJHYRTDAY-LLVKDONJSA-N 2 2 239.363 0.751 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000359656901 345091885 /nfs/dbraw/zinc/09/18/85/345091885.db2.gz JBNKWAJHYRTDAY-NSHDSACASA-N 2 2 239.363 0.751 20 30 BCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280426 345227336 /nfs/dbraw/zinc/22/73/36/345227336.db2.gz XZPCLFHMMGAGCZ-STQMWFEESA-N 2 2 224.348 0.689 20 30 BCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000381280426 345227339 /nfs/dbraw/zinc/22/73/39/345227339.db2.gz XZPCLFHMMGAGCZ-STQMWFEESA-N 2 2 224.348 0.689 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000081396375 345472307 /nfs/dbraw/zinc/47/23/07/345472307.db2.gz RNPNPQXOBYTXSE-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000081396375 345472310 /nfs/dbraw/zinc/47/23/10/345472310.db2.gz RNPNPQXOBYTXSE-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])N1CCOCC1 ZINC000162897540 346541497 /nfs/dbraw/zinc/54/14/97/346541497.db2.gz FDXQWIOOXKFXOY-UHFFFAOYSA-N 2 2 248.330 0.579 20 30 BCEDLP C=C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594556897 348071211 /nfs/dbraw/zinc/07/12/11/348071211.db2.gz VKDWWNVECMVZDG-AXFHLTTASA-N 2 2 226.320 0.644 20 30 BCEDLP C[N@@H+]1CCN(C(=O)CCCCC#N)[C@H](C[NH3+])C1 ZINC000594427561 348043649 /nfs/dbraw/zinc/04/36/49/348043649.db2.gz VCDSITUTQDMLPI-LLVKDONJSA-N 2 2 238.335 0.172 20 30 BCEDLP C[N@H+]1CCN(C(=O)CCCCC#N)[C@H](C[NH3+])C1 ZINC000594427561 348043652 /nfs/dbraw/zinc/04/36/52/348043652.db2.gz VCDSITUTQDMLPI-LLVKDONJSA-N 2 2 238.335 0.172 20 30 BCEDLP Cc1cc(N[C@H](CO)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000596244484 348485873 /nfs/dbraw/zinc/48/58/73/348485873.db2.gz QHIQJYLEIRRZLK-NSHDSACASA-N 2 2 234.303 0.018 20 30 BCEDLP C#CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000269678906 192376764 /nfs/dbraw/zinc/37/67/64/192376764.db2.gz DAMOWZDNFKGSKX-UHFFFAOYSA-N 2 2 204.277 0.175 20 30 BCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000598715693 349025784 /nfs/dbraw/zinc/02/57/84/349025784.db2.gz SENSOKCWVFURCV-NSHDSACASA-N 2 2 236.319 0.773 20 30 BCEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598721531 349027609 /nfs/dbraw/zinc/02/76/09/349027609.db2.gz WUSSODGTEUCHRK-NWDGAFQWSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598721531 349027612 /nfs/dbraw/zinc/02/76/12/349027612.db2.gz WUSSODGTEUCHRK-NWDGAFQWSA-N 2 2 239.363 0.971 20 30 BCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599091539 349091365 /nfs/dbraw/zinc/09/13/65/349091365.db2.gz BZWOVGWMJZIRRO-UPJWGTAASA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599091539 349091367 /nfs/dbraw/zinc/09/13/67/349091367.db2.gz BZWOVGWMJZIRRO-UPJWGTAASA-N 2 2 237.347 0.725 20 30 BCEDLP CC(C)NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000262526916 535124399 /nfs/dbraw/zinc/12/43/99/535124399.db2.gz LKAZDHJMLUQXFR-UHFFFAOYSA-N 2 2 238.339 0.299 20 30 BCEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397714803 350965252 /nfs/dbraw/zinc/96/52/52/350965252.db2.gz QHAKMNGCHIGZBF-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397714803 350965255 /nfs/dbraw/zinc/96/52/55/350965255.db2.gz QHAKMNGCHIGZBF-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397714803 350965257 /nfs/dbraw/zinc/96/52/57/350965257.db2.gz QHAKMNGCHIGZBF-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397714803 350965260 /nfs/dbraw/zinc/96/52/60/350965260.db2.gz QHAKMNGCHIGZBF-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397714821 350965390 /nfs/dbraw/zinc/96/53/90/350965390.db2.gz QHAKMNGCHIGZBF-STQMWFEESA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397714821 350965393 /nfs/dbraw/zinc/96/53/93/350965393.db2.gz QHAKMNGCHIGZBF-STQMWFEESA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397714821 350965397 /nfs/dbraw/zinc/96/53/97/350965397.db2.gz QHAKMNGCHIGZBF-STQMWFEESA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397714821 350965400 /nfs/dbraw/zinc/96/54/00/350965400.db2.gz QHAKMNGCHIGZBF-STQMWFEESA-N 2 2 239.363 0.925 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336760252 353171573 /nfs/dbraw/zinc/17/15/73/353171573.db2.gz MCJQESIHSLUBKM-GRYCIOLGSA-N 2 2 212.337 0.711 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336760252 353171576 /nfs/dbraw/zinc/17/15/76/353171576.db2.gz MCJQESIHSLUBKM-GRYCIOLGSA-N 2 2 212.337 0.711 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336758399 353166825 /nfs/dbraw/zinc/16/68/25/353166825.db2.gz JTVGCCQOHBQTHD-QJPTWQEYSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336758399 353166828 /nfs/dbraw/zinc/16/68/28/353166828.db2.gz JTVGCCQOHBQTHD-QJPTWQEYSA-N 2 2 212.337 0.853 20 30 BCEDLP CNC(=O)N[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330951084 353203272 /nfs/dbraw/zinc/20/32/72/353203272.db2.gz PLEFJGORIZGZDB-JTQLQIEISA-N 2 2 237.307 0.091 20 30 BCEDLP CNC(=O)N[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330951084 353203274 /nfs/dbraw/zinc/20/32/74/353203274.db2.gz PLEFJGORIZGZDB-JTQLQIEISA-N 2 2 237.307 0.091 20 30 BCEDLP CC#CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129343469 353313783 /nfs/dbraw/zinc/31/37/83/353313783.db2.gz JLJVQEJBVZRUHH-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133299117 353407678 /nfs/dbraw/zinc/40/76/78/353407678.db2.gz UCGNPDIMQXXWEU-NSHDSACASA-N 2 2 227.352 0.594 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133299117 353407680 /nfs/dbraw/zinc/40/76/80/353407680.db2.gz UCGNPDIMQXXWEU-NSHDSACASA-N 2 2 227.352 0.594 20 30 BCEDLP C#CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362639478 134213552 /nfs/dbraw/zinc/21/35/52/134213552.db2.gz KSJRPIWLRWRJOD-ZDUSSCGKSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362639478 134213553 /nfs/dbraw/zinc/21/35/53/134213553.db2.gz KSJRPIWLRWRJOD-ZDUSSCGKSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362639478 134213554 /nfs/dbraw/zinc/21/35/54/134213554.db2.gz KSJRPIWLRWRJOD-ZDUSSCGKSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362639478 134213555 /nfs/dbraw/zinc/21/35/55/134213555.db2.gz KSJRPIWLRWRJOD-ZDUSSCGKSA-N 2 2 235.375 0.720 20 30 BCEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303385324 134233719 /nfs/dbraw/zinc/23/37/19/134233719.db2.gz VJGLBQOXKLVFOJ-ZJUUUORDSA-N 2 2 228.340 0.020 20 30 BCEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303385324 134233720 /nfs/dbraw/zinc/23/37/20/134233720.db2.gz VJGLBQOXKLVFOJ-ZJUUUORDSA-N 2 2 228.340 0.020 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000133518426 325298269 /nfs/dbraw/zinc/29/82/69/325298269.db2.gz ODQQBIILTQDQKC-UHFFFAOYSA-N 2 2 237.347 0.106 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC000133518426 325298270 /nfs/dbraw/zinc/29/82/70/325298270.db2.gz ODQQBIILTQDQKC-UHFFFAOYSA-N 2 2 237.347 0.106 20 30 BCEDLP CCN(CC)C(=[NH2+])NCc1c[nH+]cn1C ZINC000262351552 535390298 /nfs/dbraw/zinc/39/02/98/535390298.db2.gz YXGBYXZDVACWTE-UHFFFAOYSA-N 2 2 209.297 0.577 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CCC[NH2+]C ZINC000124986423 358530856 /nfs/dbraw/zinc/53/08/56/358530856.db2.gz WTYJSKCMRLOKGQ-UHFFFAOYSA-N 2 2 239.363 0.728 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CCC[NH2+]C ZINC000124986423 358530859 /nfs/dbraw/zinc/53/08/59/358530859.db2.gz WTYJSKCMRLOKGQ-UHFFFAOYSA-N 2 2 239.363 0.728 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000579489991 366830835 /nfs/dbraw/zinc/83/08/35/366830835.db2.gz JVQVSERFFVHPOS-TUAOUCFPSA-N 2 2 228.336 0.232 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000579489991 366830836 /nfs/dbraw/zinc/83/08/36/366830836.db2.gz JVQVSERFFVHPOS-TUAOUCFPSA-N 2 2 228.336 0.232 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180033490 541505916 /nfs/dbraw/zinc/50/59/16/541505916.db2.gz ZASWJWORFLACRV-WDEREUQCSA-N 2 2 225.336 0.361 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180033490 541505919 /nfs/dbraw/zinc/50/59/19/541505919.db2.gz ZASWJWORFLACRV-WDEREUQCSA-N 2 2 225.336 0.361 20 30 BCEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1O ZINC000566736133 326078444 /nfs/dbraw/zinc/07/84/44/326078444.db2.gz MUCPQSJAOIFGTR-QMMMGPOBSA-N 2 2 234.259 0.169 20 30 BCEDLP N#Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)o1 ZINC000600769859 369562725 /nfs/dbraw/zinc/56/27/25/369562725.db2.gz TZZFOBRSDCVEAH-LBPRGKRZSA-N 2 2 235.287 0.701 20 30 BCEDLP N#Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)o1 ZINC000600769859 369562728 /nfs/dbraw/zinc/56/27/28/369562728.db2.gz TZZFOBRSDCVEAH-LBPRGKRZSA-N 2 2 235.287 0.701 20 30 BCEDLP N#Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)o1 ZINC000600769858 369563324 /nfs/dbraw/zinc/56/33/24/369563324.db2.gz TZZFOBRSDCVEAH-GFCCVEGCSA-N 2 2 235.287 0.701 20 30 BCEDLP N#Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)o1 ZINC000600769858 369563330 /nfs/dbraw/zinc/56/33/30/369563330.db2.gz TZZFOBRSDCVEAH-GFCCVEGCSA-N 2 2 235.287 0.701 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779580 370529349 /nfs/dbraw/zinc/52/93/49/370529349.db2.gz GUOXPXUMTAFMBG-LOWVWBTDSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779580 370529354 /nfs/dbraw/zinc/52/93/54/370529354.db2.gz GUOXPXUMTAFMBG-LOWVWBTDSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888398 372682812 /nfs/dbraw/zinc/68/28/12/372682812.db2.gz YPBWVCHGCUDRMO-NWDGAFQWSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888398 372682820 /nfs/dbraw/zinc/68/28/20/372682820.db2.gz YPBWVCHGCUDRMO-NWDGAFQWSA-N 2 2 237.347 0.363 20 30 BCEDLP C=C(C)COCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000163591210 383994695 /nfs/dbraw/zinc/99/46/95/383994695.db2.gz LYLZDPZWENFBMK-CHWSQXEVSA-N 2 2 242.363 0.936 20 30 BCEDLP CC(C)(C#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600738415 384430830 /nfs/dbraw/zinc/43/08/30/384430830.db2.gz ZYFZODKWSPPATO-NSHDSACASA-N 2 2 225.336 0.582 20 30 BCEDLP C[C@H]1C[N@H+](CCC[NH2+]CCC#N)CCCO1 ZINC000517926297 384574364 /nfs/dbraw/zinc/57/43/64/384574364.db2.gz NQSOFHLOWYEWJB-LBPRGKRZSA-N 2 2 225.336 0.991 20 30 BCEDLP C[C@H]1C[N@@H+](CCC[NH2+]CCC#N)CCCO1 ZINC000517926297 384574368 /nfs/dbraw/zinc/57/43/68/384574368.db2.gz NQSOFHLOWYEWJB-LBPRGKRZSA-N 2 2 225.336 0.991 20 30 BCEDLP CN(CC#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379530 384989855 /nfs/dbraw/zinc/98/98/55/384989855.db2.gz ASIQEDUALJJJHW-UHFFFAOYSA-N 2 2 224.352 0.468 20 30 BCEDLP CN(CC#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379530 384989859 /nfs/dbraw/zinc/98/98/59/384989859.db2.gz ASIQEDUALJJJHW-UHFFFAOYSA-N 2 2 224.352 0.468 20 30 BCEDLP C#CC[NH+](CC#C)CCCn1cc[nH+]c1 ZINC000182804659 533119424 /nfs/dbraw/zinc/11/94/24/533119424.db2.gz FKPSPYJWSYMPSB-UHFFFAOYSA-N 2 2 201.273 0.842 20 30 BCEDLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423344582 387191735 /nfs/dbraw/zinc/19/17/35/387191735.db2.gz WZLXQCGYODWTJN-VXGBXAGGSA-N 2 2 225.336 0.894 20 30 BCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442780331 387839202 /nfs/dbraw/zinc/83/92/02/387839202.db2.gz KFMGSVQWHBFCGH-JHJVBQTASA-N 2 2 236.363 0.514 20 30 BCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442780331 387839207 /nfs/dbraw/zinc/83/92/07/387839207.db2.gz KFMGSVQWHBFCGH-JHJVBQTASA-N 2 2 236.363 0.514 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423160247 387940733 /nfs/dbraw/zinc/94/07/33/387940733.db2.gz ZJWQWKDRWXVOGY-LOWDOPEQSA-N 2 2 240.347 0.687 20 30 BCEDLP C=CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338548797 135038519 /nfs/dbraw/zinc/03/85/19/135038519.db2.gz YJRXMYVTPONJPG-UHFFFAOYSA-N 2 2 212.337 0.951 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000453353348 388057544 /nfs/dbraw/zinc/05/75/44/388057544.db2.gz LIMFPFSWGSMGEH-QJPTWQEYSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000453353348 388057548 /nfs/dbraw/zinc/05/75/48/388057548.db2.gz LIMFPFSWGSMGEH-QJPTWQEYSA-N 2 2 212.337 0.853 20 30 BCEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000491405068 388292580 /nfs/dbraw/zinc/29/25/80/388292580.db2.gz GQGOIXZNYKQJDW-LLVKDONJSA-N 2 2 237.347 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000491405068 388292581 /nfs/dbraw/zinc/29/25/81/388292581.db2.gz GQGOIXZNYKQJDW-LLVKDONJSA-N 2 2 237.347 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000491420328 388293464 /nfs/dbraw/zinc/29/34/64/388293464.db2.gz XCRXDXYEQLPGQK-LLVKDONJSA-N 2 2 234.303 0.001 20 30 BCEDLP C#CCNC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000491723733 388314901 /nfs/dbraw/zinc/31/49/01/388314901.db2.gz DDVBLBRRHKKBGL-UHFFFAOYSA-N 2 2 225.336 0.056 20 30 BCEDLP C#C[C@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229875765 388801119 /nfs/dbraw/zinc/80/11/19/388801119.db2.gz XIFWTESXTCHQCL-SNVBAGLBSA-N 2 2 220.320 0.988 20 30 BCEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182386647 533495605 /nfs/dbraw/zinc/49/56/05/533495605.db2.gz VFFXWWTUKSNLJT-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182386647 533495608 /nfs/dbraw/zinc/49/56/08/533495608.db2.gz VFFXWWTUKSNLJT-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000303255450 134233060 /nfs/dbraw/zinc/23/30/60/134233060.db2.gz GFOLRCMCSGLADL-UHFFFAOYSA-N 2 2 215.260 0.646 20 30 BCEDLP NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303259947 134233429 /nfs/dbraw/zinc/23/34/29/134233429.db2.gz MKYROCGOKBNDBO-UHFFFAOYSA-N 2 2 233.250 0.785 20 30 BCEDLP C=CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338548797 135038518 /nfs/dbraw/zinc/03/85/18/135038518.db2.gz YJRXMYVTPONJPG-UHFFFAOYSA-N 2 2 212.337 0.951 20 30 BCEDLP CN/C(=[NH+]/C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262000370 135113980 /nfs/dbraw/zinc/11/39/80/135113980.db2.gz UFTUZDMYJRULLV-GHMZBOCLSA-N 2 2 235.335 0.971 20 30 BCEDLP CNC(NCc1cn2c([nH+]1)CCCC2)=[NH+]C ZINC000262074361 135114386 /nfs/dbraw/zinc/11/43/86/135114386.db2.gz CWMBBMVIZBFPQC-UHFFFAOYSA-N 2 2 221.308 0.514 20 30 BCEDLP CC[C@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264153304 135135636 /nfs/dbraw/zinc/13/56/36/135135636.db2.gz ZUBISRLOKOFTQR-JTQLQIEISA-N 2 2 223.324 0.976 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261559706 135200207 /nfs/dbraw/zinc/20/02/07/135200207.db2.gz TZIUQACDXBXONG-AAEUAGOBSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261559706 135200208 /nfs/dbraw/zinc/20/02/08/135200208.db2.gz TZIUQACDXBXONG-AAEUAGOBSA-N 2 2 237.347 0.363 20 30 BCEDLP Cn1c[nH+]cc1CNC(=[NH2+])NC1CCCC1 ZINC000262360803 135296959 /nfs/dbraw/zinc/29/69/59/135296959.db2.gz ISCBNYAEUKZQAT-UHFFFAOYSA-N 2 2 221.308 0.767 20 30 BCEDLP Cn1c[nH+]cc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262373337 135298057 /nfs/dbraw/zinc/29/80/57/135298057.db2.gz MISBKDHSOHSVMR-JTQLQIEISA-N 2 2 237.307 0.003 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCOCC2(C)C)N1 ZINC000262654939 135312166 /nfs/dbraw/zinc/31/21/66/135312166.db2.gz LIDAEURVMFGKEH-SNVBAGLBSA-N 2 2 240.351 0.035 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCOCC2(C)C)N1 ZINC000262654939 135312168 /nfs/dbraw/zinc/31/21/68/135312168.db2.gz LIDAEURVMFGKEH-SNVBAGLBSA-N 2 2 240.351 0.035 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000334588079 135759924 /nfs/dbraw/zinc/75/99/24/135759924.db2.gz RDZLOZZRMIQBCM-LLVKDONJSA-N 2 2 223.320 0.069 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000334588079 135759925 /nfs/dbraw/zinc/75/99/25/135759925.db2.gz RDZLOZZRMIQBCM-LLVKDONJSA-N 2 2 223.320 0.069 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491229501 398034530 /nfs/dbraw/zinc/03/45/30/398034530.db2.gz HOQNJEQNSACXAI-YPMHNXCESA-N 2 2 249.358 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491229501 398034531 /nfs/dbraw/zinc/03/45/31/398034531.db2.gz HOQNJEQNSACXAI-YPMHNXCESA-N 2 2 249.358 0.198 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062898758 166354661 /nfs/dbraw/zinc/35/46/61/166354661.db2.gz BWLGLZGRZMUXOL-CYBMUJFWSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000269698103 166356862 /nfs/dbraw/zinc/35/68/62/166356862.db2.gz KRHYWXPKYMKZPI-UHFFFAOYSA-N 2 2 206.293 0.728 20 30 BCEDLP C=CCCn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)nn1 ZINC000655937252 411159379 /nfs/dbraw/zinc/15/93/79/411159379.db2.gz XUSBBWMHVAHXNP-NSHDSACASA-N 2 2 235.335 0.635 20 30 BCEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nn1 ZINC000655937252 411159382 /nfs/dbraw/zinc/15/93/82/411159382.db2.gz XUSBBWMHVAHXNP-NSHDSACASA-N 2 2 235.335 0.635 20 30 BCEDLP C=CCOCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000304276119 411358524 /nfs/dbraw/zinc/35/85/24/411358524.db2.gz WKZJZAVQWVKJFY-RYUDHWBXSA-N 2 2 228.336 0.546 20 30 BCEDLP C=C(C)C[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000653609258 411439316 /nfs/dbraw/zinc/43/93/16/411439316.db2.gz DTXKUBUMKQWTLP-LLVKDONJSA-N 2 2 200.326 0.807 20 30 BCEDLP C=C(C)C[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000653609258 411439319 /nfs/dbraw/zinc/43/93/19/411439319.db2.gz DTXKUBUMKQWTLP-LLVKDONJSA-N 2 2 200.326 0.807 20 30 BCEDLP C=C(C)C[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653609258 411439320 /nfs/dbraw/zinc/43/93/20/411439320.db2.gz DTXKUBUMKQWTLP-LLVKDONJSA-N 2 2 200.326 0.807 20 30 BCEDLP C=C(C)C[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653609258 411439329 /nfs/dbraw/zinc/43/93/29/411439329.db2.gz DTXKUBUMKQWTLP-LLVKDONJSA-N 2 2 200.326 0.807 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@@H](O)C[NH+](C)C(C)C ZINC000660404262 411465593 /nfs/dbraw/zinc/46/55/93/411465593.db2.gz XDQGYPFQQWSGRU-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@@H](O)C[NH+](C)C(C)C ZINC000660404262 411465595 /nfs/dbraw/zinc/46/55/95/411465595.db2.gz XDQGYPFQQWSGRU-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](CCOC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660404262 411465596 /nfs/dbraw/zinc/46/55/96/411465596.db2.gz XDQGYPFQQWSGRU-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](CCOC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660404262 411465598 /nfs/dbraw/zinc/46/55/98/411465598.db2.gz XDQGYPFQQWSGRU-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP N#CCC[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960712 323045913 /nfs/dbraw/zinc/04/59/13/323045913.db2.gz MBKAXDUKOFDUJT-NSHDSACASA-N 2 2 238.335 0.077 20 30 BCEDLP N#CCC[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960712 323045914 /nfs/dbraw/zinc/04/59/14/323045914.db2.gz MBKAXDUKOFDUJT-NSHDSACASA-N 2 2 238.335 0.077 20 30 BCEDLP C=CC[NH+](CC=C)C[C@H](O)C[N@@H+](C)CC ZINC000567211925 326139226 /nfs/dbraw/zinc/13/92/26/326139226.db2.gz WKKMZWGNILVTJE-GFCCVEGCSA-N 2 2 212.337 0.973 20 30 BCEDLP C=CC[NH+](CC=C)C[C@H](O)C[N@H+](C)CC ZINC000567211925 326139227 /nfs/dbraw/zinc/13/92/27/326139227.db2.gz WKKMZWGNILVTJE-GFCCVEGCSA-N 2 2 212.337 0.973 20 30 BCEDLP COCC#CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000677820152 488135412 /nfs/dbraw/zinc/13/54/12/488135412.db2.gz HOSODPDRBPBMSH-UHFFFAOYSA-N 2 2 245.326 0.853 20 30 BCEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC#CCOC)C1 ZINC000677820731 488137411 /nfs/dbraw/zinc/13/74/11/488137411.db2.gz UJECUYRUVLTGQQ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC#CCOC)C1 ZINC000677820731 488137414 /nfs/dbraw/zinc/13/74/14/488137414.db2.gz UJECUYRUVLTGQQ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820731 488137418 /nfs/dbraw/zinc/13/74/18/488137418.db2.gz UJECUYRUVLTGQQ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC000677820731 488137420 /nfs/dbraw/zinc/13/74/20/488137420.db2.gz UJECUYRUVLTGQQ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP COCC#CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000678721511 488278579 /nfs/dbraw/zinc/27/85/79/488278579.db2.gz GHAXACFOOROICU-UHFFFAOYSA-N 2 2 221.304 0.855 20 30 BCEDLP COCC#CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000678721511 488278580 /nfs/dbraw/zinc/27/85/80/488278580.db2.gz GHAXACFOOROICU-UHFFFAOYSA-N 2 2 221.304 0.855 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000853114596 588721451 /nfs/dbraw/zinc/72/14/51/588721451.db2.gz XOGZNVYWZHCHQL-LBPRGKRZSA-N 2 2 237.347 0.200 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000853114596 588721452 /nfs/dbraw/zinc/72/14/52/588721452.db2.gz XOGZNVYWZHCHQL-LBPRGKRZSA-N 2 2 237.347 0.200 20 30 BCEDLP C[NH+]1CCN(N=Cc2c[nH+]c3n2CCC3)CC1 ZINC000853256728 588729772 /nfs/dbraw/zinc/72/97/72/588729772.db2.gz ZBXLBIUOSNMFDI-UHFFFAOYSA-N 2 2 233.319 0.411 20 30 BCEDLP C#CCC[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892313452 582837479 /nfs/dbraw/zinc/83/74/79/582837479.db2.gz FGJFGIDZIGONCJ-UHFFFAOYSA-N 2 2 245.330 0.513 20 30 BCEDLP C[NH+]1CCC([NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895161846 583610551 /nfs/dbraw/zinc/61/05/51/583610551.db2.gz IAVDQTDKTZLHKS-SNVBAGLBSA-N 2 2 227.308 0.050 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857945174 588924774 /nfs/dbraw/zinc/92/47/74/588924774.db2.gz SABLYFMQGAEJDH-NSHDSACASA-N 2 2 248.330 0.432 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981449 588928097 /nfs/dbraw/zinc/92/80/97/588928097.db2.gz DZYAHLGWUNAWFS-SNVBAGLBSA-N 2 2 234.303 0.562 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900715709 584344625 /nfs/dbraw/zinc/34/46/25/584344625.db2.gz CKQUBMJWXQUMOJ-UHFFFAOYSA-N 2 2 248.330 0.774 20 30 BCEDLP CC(=[NH+]OC[C@@H]1CCOC1)c1c[nH]c(N)[nH+]1 ZINC000901228310 584412859 /nfs/dbraw/zinc/41/28/59/584412859.db2.gz WAGRTFKVEWJAIN-MRVPVSSYSA-N 2 2 224.264 0.769 20 30 BCEDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796935 584674658 /nfs/dbraw/zinc/67/46/58/584674658.db2.gz WXCSPEOFVATKFB-PWSUYJOCSA-N 2 2 248.330 0.526 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472984 584776010 /nfs/dbraw/zinc/77/60/10/584776010.db2.gz YJJMTNRJKFBROE-VXGBXAGGSA-N 2 2 249.358 0.648 20 30 BCEDLP C[C@@]1(C#N)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903825042 584804528 /nfs/dbraw/zinc/80/45/28/584804528.db2.gz XJWWTEOJZVAQMU-NWDGAFQWSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@@]1(C#N)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903825042 584804529 /nfs/dbraw/zinc/80/45/29/584804529.db2.gz XJWWTEOJZVAQMU-NWDGAFQWSA-N 2 2 223.320 0.600 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000746243333 585166257 /nfs/dbraw/zinc/16/62/57/585166257.db2.gz UBELFDVSSHBSSS-NSHDSACASA-N 2 2 246.314 0.166 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000746243333 585166258 /nfs/dbraw/zinc/16/62/58/585166258.db2.gz UBELFDVSSHBSSS-NSHDSACASA-N 2 2 246.314 0.166 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000752858253 585250930 /nfs/dbraw/zinc/25/09/30/585250930.db2.gz ZFCPZYKTWPVNMG-UHFFFAOYSA-N 2 2 249.358 0.250 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1c[nH+]cn1C ZINC000752953685 585251901 /nfs/dbraw/zinc/25/19/01/585251901.db2.gz OOUGXRCTXATFKD-UHFFFAOYSA-N 2 2 222.292 0.154 20 30 BCEDLP C#CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000754027184 585275770 /nfs/dbraw/zinc/27/57/70/585275770.db2.gz GKKTZZYXVPUCLR-ZDUSSCGKSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000754027184 585275771 /nfs/dbraw/zinc/27/57/71/585275771.db2.gz GKKTZZYXVPUCLR-ZDUSSCGKSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC=CCC2)CC1 ZINC000778969127 585742986 /nfs/dbraw/zinc/74/29/86/585742986.db2.gz HQUOGTYQILHXGW-UHFFFAOYSA-N 2 2 247.342 0.026 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC=CCC2)CC1 ZINC000778969127 585742987 /nfs/dbraw/zinc/74/29/87/585742987.db2.gz HQUOGTYQILHXGW-UHFFFAOYSA-N 2 2 247.342 0.026 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]N[C@H]1CCOC1 ZINC000788452577 585924596 /nfs/dbraw/zinc/92/45/96/585924596.db2.gz PJAJMIPXJAXPOQ-NSHDSACASA-N 2 2 234.303 0.860 20 30 BCEDLP CC(C)N(C)c1ccc(C=[NH+]NC(N)=[NH2+])cn1 ZINC000790154662 585958737 /nfs/dbraw/zinc/95/87/37/585958737.db2.gz UAZJMBDYFQVAOV-UHFFFAOYSA-N 2 2 234.307 0.743 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000794579276 586044962 /nfs/dbraw/zinc/04/49/62/586044962.db2.gz YMFAKBYGNIVVPF-LBPRGKRZSA-N 2 2 224.348 0.787 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000794579276 586044963 /nfs/dbraw/zinc/04/49/63/586044963.db2.gz YMFAKBYGNIVVPF-LBPRGKRZSA-N 2 2 224.348 0.787 20 30 BCEDLP O=C1C=C([NH2+]Nc2cc[nH+]cc2)[C@@H]2CCCN12 ZINC000799484333 586179112 /nfs/dbraw/zinc/17/91/12/586179112.db2.gz ANVLDKLAJPADAT-NSHDSACASA-N 2 2 230.271 0.666 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804332605 586391529 /nfs/dbraw/zinc/39/15/29/586391529.db2.gz NLJZLPZZPXMUFH-LLVKDONJSA-N 2 2 248.330 0.432 20 30 BCEDLP C[C@H](O)CN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000814964784 586661153 /nfs/dbraw/zinc/66/11/53/586661153.db2.gz DPLPITSAXDVSEL-VIFPVBQESA-N 2 2 222.292 0.452 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819783771 586994544 /nfs/dbraw/zinc/99/45/44/586994544.db2.gz UUOSJQMSLRRJHM-MRVPVSSYSA-N 2 2 227.333 0.712 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000825077773 587302623 /nfs/dbraw/zinc/30/26/23/587302623.db2.gz IACDVZWWGFCHTB-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP Cn1c[nH+]c(/C=C/C(=O)NCC#CC[NH+](C)C)c1 ZINC000827971643 587414060 /nfs/dbraw/zinc/41/40/60/587414060.db2.gz CPMVLYDUWAGJDL-VOTSOKGWSA-N 2 2 246.314 0.115 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C(C)C)C1 ZINC000837545767 587880686 /nfs/dbraw/zinc/88/06/86/587880686.db2.gz CAVRYDPTPCMZGV-ZDUSSCGKSA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C(C)C)C1 ZINC000837545767 587880688 /nfs/dbraw/zinc/88/06/88/587880688.db2.gz CAVRYDPTPCMZGV-ZDUSSCGKSA-N 2 2 249.358 0.293 20 30 BCEDLP C[C@H]1CC(N=NC2=[NH+]CCN2)C[N@@H+]1C1CC1 ZINC000841661322 587970367 /nfs/dbraw/zinc/97/03/67/587970367.db2.gz NYIFTOJQCMFHOK-QMMMGPOBSA-N 2 2 221.308 0.148 20 30 BCEDLP C[C@H]1CC(N=NC2=[NH+]CCN2)C[N@H+]1C1CC1 ZINC000841661322 587970370 /nfs/dbraw/zinc/97/03/70/587970370.db2.gz NYIFTOJQCMFHOK-QMMMGPOBSA-N 2 2 221.308 0.148 20 30 BCEDLP C#CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846875476 588295038 /nfs/dbraw/zinc/29/50/38/588295038.db2.gz IBDASFKSVHBLGT-UHFFFAOYSA-N 2 2 204.277 0.555 20 30 BCEDLP C#C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848910544 588419114 /nfs/dbraw/zinc/41/91/14/588419114.db2.gz MBWAVZXJTJTXMO-WCQYABFASA-N 2 2 222.332 0.851 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCC[NH+]2Cc3ccccc3C2)N1 ZINC000848996794 588429392 /nfs/dbraw/zinc/42/93/92/588429392.db2.gz DCGJNTAOIVSYSG-LLVKDONJSA-N 2 2 244.342 0.940 20 30 BCEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@H]1CCCO1 ZINC000850251097 588532052 /nfs/dbraw/zinc/53/20/52/588532052.db2.gz LVNSNOZEUVYYKJ-CHWSQXEVSA-N 2 2 233.315 0.999 20 30 BCEDLP C#CCC[N@@H+](CCOC)CCc1c[nH+]cn1C ZINC000852748801 588699448 /nfs/dbraw/zinc/69/94/48/588699448.db2.gz HEDKGVDYORZYIA-UHFFFAOYSA-N 2 2 235.331 0.934 20 30 BCEDLP C#CCC[N@H+](CCOC)CCc1c[nH+]cn1C ZINC000852748801 588699449 /nfs/dbraw/zinc/69/94/49/588699449.db2.gz HEDKGVDYORZYIA-UHFFFAOYSA-N 2 2 235.331 0.934 20 30 BCEDLP C=CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877981916 590464903 /nfs/dbraw/zinc/46/49/03/590464903.db2.gz BZVRQDZZKPHXJX-AXFHLTTASA-N 2 2 224.304 0.255 20 30 BCEDLP C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877981916 590464904 /nfs/dbraw/zinc/46/49/04/590464904.db2.gz BZVRQDZZKPHXJX-AXFHLTTASA-N 2 2 224.304 0.255 20 30 BCEDLP C#CCOCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878866224 590634728 /nfs/dbraw/zinc/63/47/28/590634728.db2.gz RSBCAYGCXYPSCI-ZDUSSCGKSA-N 2 2 240.347 0.025 20 30 BCEDLP C#CCOCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878866224 590634729 /nfs/dbraw/zinc/63/47/29/590634729.db2.gz RSBCAYGCXYPSCI-ZDUSSCGKSA-N 2 2 240.347 0.025 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579283 590816283 /nfs/dbraw/zinc/81/62/83/590816283.db2.gz ZAQHLTQAQZOHEL-OLZOCXBDSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579283 590816285 /nfs/dbraw/zinc/81/62/85/590816285.db2.gz ZAQHLTQAQZOHEL-OLZOCXBDSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579283 590816288 /nfs/dbraw/zinc/81/62/88/590816288.db2.gz ZAQHLTQAQZOHEL-OLZOCXBDSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579283 590816291 /nfs/dbraw/zinc/81/62/91/590816291.db2.gz ZAQHLTQAQZOHEL-OLZOCXBDSA-N 2 2 222.332 0.662 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000883390718 591636571 /nfs/dbraw/zinc/63/65/71/591636571.db2.gz RXQCMFXNVUXOIR-UTUOFQBUSA-N 2 2 212.337 0.853 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000883390718 591636576 /nfs/dbraw/zinc/63/65/76/591636576.db2.gz RXQCMFXNVUXOIR-UTUOFQBUSA-N 2 2 212.337 0.853 20 30 BCEDLP C#CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161346621 631930687 /nfs/dbraw/zinc/93/06/87/631930687.db2.gz YWJWZWZYBITBIP-UHFFFAOYSA-N 2 2 201.273 0.837 20 30 BCEDLP C#C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000309533048 632474475 /nfs/dbraw/zinc/47/44/75/632474475.db2.gz DMAPIIHQQNXYLG-NEPJUHHUSA-N 2 2 219.288 0.654 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1snnc1C ZINC000328319276 633756166 /nfs/dbraw/zinc/75/61/66/633756166.db2.gz YSBNBKPTIZAWOZ-UHFFFAOYSA-N 2 2 238.360 0.891 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1snnc1C ZINC000328319276 633756167 /nfs/dbraw/zinc/75/61/67/633756167.db2.gz YSBNBKPTIZAWOZ-UHFFFAOYSA-N 2 2 238.360 0.891 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]N1CCC[C@@H]1CO ZINC000841662458 635182359 /nfs/dbraw/zinc/18/23/59/635182359.db2.gz WWXSEGOZDXHDCD-GFCCVEGCSA-N 2 2 248.330 0.938 20 30 BCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853063 636885583 /nfs/dbraw/zinc/88/55/83/636885583.db2.gz FBPFPPZFWOTOIE-NWDGAFQWSA-N 2 2 246.314 0.095 20 30 BCEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CC#N)C2 ZINC000930602716 639817233 /nfs/dbraw/zinc/81/72/33/639817233.db2.gz YFKKUYGZDIPSAD-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CC#N)C2 ZINC000930602716 639817234 /nfs/dbraw/zinc/81/72/34/639817234.db2.gz YFKKUYGZDIPSAD-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)CC#N)C2 ZINC000930602716 639817235 /nfs/dbraw/zinc/81/72/35/639817235.db2.gz YFKKUYGZDIPSAD-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)CC#N)C2 ZINC000930602716 639817236 /nfs/dbraw/zinc/81/72/36/639817236.db2.gz YFKKUYGZDIPSAD-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545488 640262335 /nfs/dbraw/zinc/26/23/35/640262335.db2.gz FGYDGNVNFQPKGZ-UTUOFQBUSA-N 2 2 223.320 0.287 20 30 BCEDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545488 640262340 /nfs/dbraw/zinc/26/23/40/640262340.db2.gz FGYDGNVNFQPKGZ-UTUOFQBUSA-N 2 2 223.320 0.287 20 30 BCEDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545488 640262343 /nfs/dbraw/zinc/26/23/43/640262343.db2.gz FGYDGNVNFQPKGZ-UTUOFQBUSA-N 2 2 223.320 0.287 20 30 BCEDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545488 640262347 /nfs/dbraw/zinc/26/23/47/640262347.db2.gz FGYDGNVNFQPKGZ-UTUOFQBUSA-N 2 2 223.320 0.287 20 30 BCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014954103 641211066 /nfs/dbraw/zinc/21/10/66/641211066.db2.gz JNJSBAFMJLGMIK-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014954103 641211071 /nfs/dbraw/zinc/21/10/71/641211071.db2.gz JNJSBAFMJLGMIK-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014954103 641211075 /nfs/dbraw/zinc/21/10/75/641211075.db2.gz JNJSBAFMJLGMIK-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014954103 641211078 /nfs/dbraw/zinc/21/10/78/641211078.db2.gz JNJSBAFMJLGMIK-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018783933 643010618 /nfs/dbraw/zinc/01/06/18/643010618.db2.gz WYMVVTZVFSXLPL-NSHDSACASA-N 2 2 248.330 0.719 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970097329 643290581 /nfs/dbraw/zinc/29/05/81/643290581.db2.gz APFXHYWKWLRQLA-SNVBAGLBSA-N 2 2 234.303 0.329 20 30 BCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000555318 643791982 /nfs/dbraw/zinc/79/19/82/643791982.db2.gz AZHYVVMHFLQWKM-NSHDSACASA-N 2 2 246.314 0.166 20 30 BCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398872 643896279 /nfs/dbraw/zinc/89/62/79/643896279.db2.gz ZMCXWWVJKWCHOG-GFCCVEGCSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398872 643896284 /nfs/dbraw/zinc/89/62/84/643896284.db2.gz ZMCXWWVJKWCHOG-GFCCVEGCSA-N 2 2 246.314 0.097 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000923299029 644326773 /nfs/dbraw/zinc/32/67/73/644326773.db2.gz WIXXVQWUEXPTQY-SRVKXCTJSA-N 2 2 228.336 0.362 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000923299029 644326774 /nfs/dbraw/zinc/32/67/74/644326774.db2.gz WIXXVQWUEXPTQY-SRVKXCTJSA-N 2 2 228.336 0.362 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430429 644421194 /nfs/dbraw/zinc/42/11/94/644421194.db2.gz LEQQHSGHHUFDLA-GHMZBOCLSA-N 2 2 212.337 0.983 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430429 644421196 /nfs/dbraw/zinc/42/11/96/644421196.db2.gz LEQQHSGHHUFDLA-GHMZBOCLSA-N 2 2 212.337 0.983 20 30 BCEDLP C[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)C[N@H+]1C ZINC000779797796 644714883 /nfs/dbraw/zinc/71/48/83/644714883.db2.gz JZTPMZOVCZSJFB-JGVFFNPUSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)C[N@@H+]1C ZINC000779797796 644714887 /nfs/dbraw/zinc/71/48/87/644714887.db2.gz JZTPMZOVCZSJFB-JGVFFNPUSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@H]1C[NH+]=C(NN=Cc2c[nH+]ccc2N(C)C)N1 ZINC000779798755 644717539 /nfs/dbraw/zinc/71/75/39/644717539.db2.gz GDKTYVYLXMXVGP-VIFPVBQESA-N 2 2 246.318 0.419 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000957665177 644747334 /nfs/dbraw/zinc/74/73/34/644747334.db2.gz JXRGSVUUHHGIGR-UHFFFAOYSA-N 2 2 248.330 0.522 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957653347 644747549 /nfs/dbraw/zinc/74/75/49/644747549.db2.gz RXQBWFQGSAVJSH-LBPRGKRZSA-N 2 2 237.347 0.268 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000957653347 644747551 /nfs/dbraw/zinc/74/75/51/644747551.db2.gz RXQBWFQGSAVJSH-LBPRGKRZSA-N 2 2 237.347 0.268 20 30 BCEDLP C[NH+]=C(NCC[N@@H+](C)CCOC)NC(C)(C)C ZINC000303470587 644826031 /nfs/dbraw/zinc/82/60/31/644826031.db2.gz IKYSSBVNTBHESK-UHFFFAOYSA-N 2 2 244.383 0.528 20 30 BCEDLP C[NH+]=C(NCC[N@H+](C)CCOC)NC(C)(C)C ZINC000303470587 644826034 /nfs/dbraw/zinc/82/60/34/644826034.db2.gz IKYSSBVNTBHESK-UHFFFAOYSA-N 2 2 244.383 0.528 20 30 BCEDLP COCC[N@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303977973 644863308 /nfs/dbraw/zinc/86/33/08/644863308.db2.gz LUPKFOKHEBTCGZ-UHFFFAOYSA-N 2 2 242.367 0.269 20 30 BCEDLP COCC[N@@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303977973 644863310 /nfs/dbraw/zinc/86/33/10/644863310.db2.gz LUPKFOKHEBTCGZ-UHFFFAOYSA-N 2 2 242.367 0.269 20 30 BCEDLP CC(C)(CCC#N)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925671741 646400732 /nfs/dbraw/zinc/40/07/32/646400732.db2.gz FJWCLIXWGRYCTL-LLVKDONJSA-N 2 2 225.336 0.894 20 30 BCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038094907 711840656 /nfs/dbraw/zinc/84/06/56/711840656.db2.gz IKOOGELUCGNYBW-VXGBXAGGSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038094907 711840657 /nfs/dbraw/zinc/84/06/57/711840657.db2.gz IKOOGELUCGNYBW-VXGBXAGGSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038094907 711840659 /nfs/dbraw/zinc/84/06/59/711840659.db2.gz IKOOGELUCGNYBW-VXGBXAGGSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038094907 711840661 /nfs/dbraw/zinc/84/06/61/711840661.db2.gz IKOOGELUCGNYBW-VXGBXAGGSA-N 2 2 237.347 0.457 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000384207545 710832213 /nfs/dbraw/zinc/83/22/13/710832213.db2.gz NUHFTSTURGARAS-STQMWFEESA-N 2 2 242.363 0.317 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000384207545 710832217 /nfs/dbraw/zinc/83/22/17/710832217.db2.gz NUHFTSTURGARAS-STQMWFEESA-N 2 2 242.363 0.317 20 30 BCEDLP CNC(NCCCCn1cc[nH+]c1)=[NH+]C ZINC000385981574 711020361 /nfs/dbraw/zinc/02/03/61/711020361.db2.gz CUIYBXAMZILVOF-UHFFFAOYSA-N 2 2 209.297 0.458 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1C ZINC000328093602 711689475 /nfs/dbraw/zinc/68/94/75/711689475.db2.gz JIGLAVBNCYCJPH-UHFFFAOYSA-N 2 2 234.347 0.773 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1C ZINC000328093602 711689477 /nfs/dbraw/zinc/68/94/77/711689477.db2.gz JIGLAVBNCYCJPH-UHFFFAOYSA-N 2 2 234.347 0.773 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027792830 711735543 /nfs/dbraw/zinc/73/55/43/711735543.db2.gz XCDATRGGSRPGBM-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792830 711735548 /nfs/dbraw/zinc/73/55/48/711735548.db2.gz XCDATRGGSRPGBM-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792830 711735550 /nfs/dbraw/zinc/73/55/50/711735550.db2.gz XCDATRGGSRPGBM-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033456773 711991917 /nfs/dbraw/zinc/99/19/17/711991917.db2.gz ANRHTMUJGJBYDI-GFCCVEGCSA-N 2 2 248.330 0.671 20 30 BCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079493583 712349290 /nfs/dbraw/zinc/34/92/90/712349290.db2.gz XMTPENJTRTUYKJ-UPJWGTAASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079493583 712349292 /nfs/dbraw/zinc/34/92/92/712349292.db2.gz XMTPENJTRTUYKJ-UPJWGTAASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079493583 712349294 /nfs/dbraw/zinc/34/92/94/712349294.db2.gz XMTPENJTRTUYKJ-UPJWGTAASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079493583 712349296 /nfs/dbraw/zinc/34/92/96/712349296.db2.gz XMTPENJTRTUYKJ-UPJWGTAASA-N 2 2 249.358 0.150 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)nn1 ZINC000424291603 398180383 /nfs/dbraw/zinc/18/03/83/398180383.db2.gz DVHNERMDNOBEEG-YPMHNXCESA-N 2 2 249.362 0.894 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)nn1 ZINC000424291603 398180387 /nfs/dbraw/zinc/18/03/87/398180387.db2.gz DVHNERMDNOBEEG-YPMHNXCESA-N 2 2 249.362 0.894 20 30 BCEDLP CC#CC[NH2+]Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641123416 362231119 /nfs/dbraw/zinc/23/11/19/362231119.db2.gz JXXSLOGZJIKYHU-UHFFFAOYSA-N 2 2 244.302 0.288 20 30 BCEDLP CN1CC[NH+]=C1NCCc1cn2c([nH+]1)CCCC2 ZINC000262671300 136374601 /nfs/dbraw/zinc/37/46/01/136374601.db2.gz RCACXKSACYIEJP-UHFFFAOYSA-N 2 2 247.346 0.653 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000580583296 365793862 /nfs/dbraw/zinc/79/38/62/365793862.db2.gz WGGFRBZYCZUYND-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000580583296 365793869 /nfs/dbraw/zinc/79/38/69/365793869.db2.gz WGGFRBZYCZUYND-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000580583296 365793873 /nfs/dbraw/zinc/79/38/73/365793873.db2.gz WGGFRBZYCZUYND-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000580583296 365793879 /nfs/dbraw/zinc/79/38/79/365793879.db2.gz WGGFRBZYCZUYND-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP N#CC1(C[C@H](O)C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000600714001 344362149 /nfs/dbraw/zinc/36/21/49/344362149.db2.gz NBYNMARRGZPCEU-LBPRGKRZSA-N 2 2 248.330 0.918 20 30 BCEDLP N#CC1(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000600719468 344362601 /nfs/dbraw/zinc/36/26/01/344362601.db2.gz STPIKHCBQYTNEU-NSHDSACASA-N 2 2 234.303 0.527 20 30 BCEDLP C=CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159372279 345429004 /nfs/dbraw/zinc/42/90/04/345429004.db2.gz LZEDXWGCDBSXIS-GFCCVEGCSA-N 2 2 237.347 0.587 20 30 BCEDLP C=CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159372279 345429007 /nfs/dbraw/zinc/42/90/07/345429007.db2.gz LZEDXWGCDBSXIS-GFCCVEGCSA-N 2 2 237.347 0.587 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000309782532 347163182 /nfs/dbraw/zinc/16/31/82/347163182.db2.gz ROAXCQVVRRHCRI-JTQLQIEISA-N 2 2 225.336 0.490 20 30 BCEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000593947824 347977338 /nfs/dbraw/zinc/97/73/38/347977338.db2.gz ZESYBQFFKXJQCV-RYUDHWBXSA-N 2 2 228.299 0.604 20 30 BCEDLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594016079 347989875 /nfs/dbraw/zinc/98/98/75/347989875.db2.gz SOOYGQLNWBSACN-ZDUSSCGKSA-N 2 2 248.330 0.703 20 30 BCEDLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594016079 347989876 /nfs/dbraw/zinc/98/98/76/347989876.db2.gz SOOYGQLNWBSACN-ZDUSSCGKSA-N 2 2 248.330 0.703 20 30 BCEDLP Cc1[nH+]cc(C[NH2+]C2CCN(CC#N)CC2)n1C ZINC000594928513 348139135 /nfs/dbraw/zinc/13/91/35/348139135.db2.gz ZSOIASPZTRTXER-UHFFFAOYSA-N 2 2 247.346 0.806 20 30 BCEDLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595904661 348396067 /nfs/dbraw/zinc/39/60/67/348396067.db2.gz KCDYXPLYNVAAMY-WDEREUQCSA-N 2 2 211.309 0.192 20 30 BCEDLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595904661 348396069 /nfs/dbraw/zinc/39/60/69/348396069.db2.gz KCDYXPLYNVAAMY-WDEREUQCSA-N 2 2 211.309 0.192 20 30 BCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598721530 349027703 /nfs/dbraw/zinc/02/77/03/349027703.db2.gz WUSSODGTEUCHRK-NEPJUHHUSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598721530 349027706 /nfs/dbraw/zinc/02/77/06/349027706.db2.gz WUSSODGTEUCHRK-NEPJUHHUSA-N 2 2 239.363 0.971 20 30 BCEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599093278 349092273 /nfs/dbraw/zinc/09/22/73/349092273.db2.gz OIPFYQZLTIEGGD-TUAOUCFPSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599093278 349092275 /nfs/dbraw/zinc/09/22/75/349092275.db2.gz OIPFYQZLTIEGGD-TUAOUCFPSA-N 2 2 223.320 0.335 20 30 BCEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000304214538 350648993 /nfs/dbraw/zinc/64/89/93/350648993.db2.gz JCQPUFAKAHNVPS-LBPRGKRZSA-N 2 2 240.347 0.988 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH2+]CC2)C1=O ZINC000570964477 350668685 /nfs/dbraw/zinc/66/86/85/350668685.db2.gz SOKMJMNCLKKABE-LBPRGKRZSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH2+]CC2)C1=O ZINC000570964477 350668687 /nfs/dbraw/zinc/66/86/87/350668687.db2.gz SOKMJMNCLKKABE-LBPRGKRZSA-N 2 2 237.347 0.457 20 30 BCEDLP C[N@@H+]1CCN(Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000122487803 363025716 /nfs/dbraw/zinc/02/57/16/363025716.db2.gz UCBCHYSVQCPCIE-CQSZACIVSA-N 2 2 244.342 0.633 20 30 BCEDLP C[N@H+]1CCN(Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000122487803 363025724 /nfs/dbraw/zinc/02/57/24/363025724.db2.gz UCBCHYSVQCPCIE-CQSZACIVSA-N 2 2 244.342 0.633 20 30 BCEDLP N#Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000090322586 363039538 /nfs/dbraw/zinc/03/95/38/363039538.db2.gz GBVCAPUWDUATPT-TXEJJXNPSA-N 2 2 228.299 0.604 20 30 BCEDLP N#Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000090322586 363039542 /nfs/dbraw/zinc/03/95/42/363039542.db2.gz GBVCAPUWDUATPT-TXEJJXNPSA-N 2 2 228.299 0.604 20 30 BCEDLP C=CC[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000638471335 352281710 /nfs/dbraw/zinc/28/17/10/352281710.db2.gz COKPLJBSVUCBGT-NWDGAFQWSA-N 2 2 239.363 0.690 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000293932302 353763992 /nfs/dbraw/zinc/76/39/92/353763992.db2.gz HZOBOXUSDHVIKR-UHFFFAOYSA-N 2 2 234.303 0.403 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000293932302 353763994 /nfs/dbraw/zinc/76/39/94/353763994.db2.gz HZOBOXUSDHVIKR-UHFFFAOYSA-N 2 2 234.303 0.403 20 30 BCEDLP C=C(C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351612134 356028587 /nfs/dbraw/zinc/02/85/87/356028587.db2.gz URQALSFGGPTRJY-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351612134 356028591 /nfs/dbraw/zinc/02/85/91/356028591.db2.gz URQALSFGGPTRJY-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=C(C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351612134 356028594 /nfs/dbraw/zinc/02/85/94/356028594.db2.gz URQALSFGGPTRJY-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=C(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351612134 356028596 /nfs/dbraw/zinc/02/85/96/356028596.db2.gz URQALSFGGPTRJY-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)C2(C[NH3+])CCC2)C1=O ZINC000420325551 192229941 /nfs/dbraw/zinc/22/99/41/192229941.db2.gz IUNFSMILKQWFTR-LLVKDONJSA-N 2 2 237.347 0.587 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)C2(C[NH3+])CCC2)C1=O ZINC000420325551 192229944 /nfs/dbraw/zinc/22/99/44/192229944.db2.gz IUNFSMILKQWFTR-LLVKDONJSA-N 2 2 237.347 0.587 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420365176 192223841 /nfs/dbraw/zinc/22/38/41/192223841.db2.gz KWOAFWRYGBCFGF-JFGNBEQYSA-N 2 2 225.336 0.265 20 30 BCEDLP C=CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000336422371 134146784 /nfs/dbraw/zinc/14/67/84/134146784.db2.gz AXUKXVRIKLYWJN-NSHDSACASA-N 2 2 223.320 0.069 20 30 BCEDLP C=CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000336422371 134146785 /nfs/dbraw/zinc/14/67/85/134146785.db2.gz AXUKXVRIKLYWJN-NSHDSACASA-N 2 2 223.320 0.069 20 30 BCEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582367212 357108432 /nfs/dbraw/zinc/10/84/32/357108432.db2.gz RWTZFVBVWNSVLT-RYUDHWBXSA-N 2 2 239.363 0.690 20 30 BCEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582367212 357108435 /nfs/dbraw/zinc/10/84/35/357108435.db2.gz RWTZFVBVWNSVLT-RYUDHWBXSA-N 2 2 239.363 0.690 20 30 BCEDLP C=C(C)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051036 358145642 /nfs/dbraw/zinc/14/56/42/358145642.db2.gz DPAUFCVWWZKTMT-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP C=C(C)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051036 358145643 /nfs/dbraw/zinc/14/56/43/358145643.db2.gz DPAUFCVWWZKTMT-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP CC#CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000125457469 358539394 /nfs/dbraw/zinc/53/93/94/358539394.db2.gz MWWOBKRFZZQNDR-UHFFFAOYSA-N 2 2 220.320 0.989 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133298933 358749587 /nfs/dbraw/zinc/74/95/87/358749587.db2.gz UCGNPDIMQXXWEU-LLVKDONJSA-N 2 2 227.352 0.594 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133298933 358749591 /nfs/dbraw/zinc/74/95/91/358749591.db2.gz UCGNPDIMQXXWEU-LLVKDONJSA-N 2 2 227.352 0.594 20 30 BCEDLP C=CCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578865303 366660457 /nfs/dbraw/zinc/66/04/57/366660457.db2.gz MAYXRNRXELVMFO-LLVKDONJSA-N 2 2 225.336 0.444 20 30 BCEDLP C=CCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578865303 366660462 /nfs/dbraw/zinc/66/04/62/366660462.db2.gz MAYXRNRXELVMFO-LLVKDONJSA-N 2 2 225.336 0.444 20 30 BCEDLP CC#CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000155583686 201342570 /nfs/dbraw/zinc/34/25/70/201342570.db2.gz NXCUJXIEIUFULX-UHFFFAOYSA-N 2 2 246.358 0.951 20 30 BCEDLP N#Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)o1 ZINC000600769765 364025106 /nfs/dbraw/zinc/02/51/06/364025106.db2.gz QVEPLXPYPARPPM-LLVKDONJSA-N 2 2 205.261 0.978 20 30 BCEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000382830855 367562222 /nfs/dbraw/zinc/56/22/22/367562222.db2.gz IFWXYHDOXYHBTQ-ZIAGYGMSSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000382830855 367562226 /nfs/dbraw/zinc/56/22/26/367562226.db2.gz IFWXYHDOXYHBTQ-ZIAGYGMSSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000382830855 367562233 /nfs/dbraw/zinc/56/22/33/367562233.db2.gz IFWXYHDOXYHBTQ-ZIAGYGMSSA-N 3 2 237.391 0.871 20 30 BCEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1cc[nH+]cc1O ZINC000566736129 326078691 /nfs/dbraw/zinc/07/86/91/326078691.db2.gz MUCPQSJAOIFGTR-MRVPVSSYSA-N 2 2 234.259 0.169 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779577 370528780 /nfs/dbraw/zinc/52/87/80/370528780.db2.gz GUOXPXUMTAFMBG-DMDPSCGWSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779577 370528787 /nfs/dbraw/zinc/52/87/87/370528787.db2.gz GUOXPXUMTAFMBG-DMDPSCGWSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624337853 371486462 /nfs/dbraw/zinc/48/64/62/371486462.db2.gz PZSBAPPLAXFPCD-RYUDHWBXSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624337853 371486464 /nfs/dbraw/zinc/48/64/64/371486464.db2.gz PZSBAPPLAXFPCD-RYUDHWBXSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000631867647 372669369 /nfs/dbraw/zinc/66/93/69/372669369.db2.gz YHVILVZYNFEURB-DYEKYZERSA-N 2 2 249.358 0.505 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nn1 ZINC000424378667 206038016 /nfs/dbraw/zinc/03/80/16/206038016.db2.gz OANBWGLJILULJV-UWVGGRQHSA-N 2 2 223.324 0.680 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849814 384176076 /nfs/dbraw/zinc/17/60/76/384176076.db2.gz ZIGYTJYBIGKZRW-TZMCWYRMSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849814 384176080 /nfs/dbraw/zinc/17/60/80/384176080.db2.gz ZIGYTJYBIGKZRW-TZMCWYRMSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367849814 384176082 /nfs/dbraw/zinc/17/60/82/384176082.db2.gz ZIGYTJYBIGKZRW-TZMCWYRMSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367849814 384176086 /nfs/dbraw/zinc/17/60/86/384176086.db2.gz ZIGYTJYBIGKZRW-TZMCWYRMSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000294032280 533100043 /nfs/dbraw/zinc/10/00/43/533100043.db2.gz RPTXUVJRUWTZEB-UHFFFAOYSA-N 2 2 248.330 0.345 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000294032280 533100048 /nfs/dbraw/zinc/10/00/48/533100048.db2.gz RPTXUVJRUWTZEB-UHFFFAOYSA-N 2 2 248.330 0.345 20 30 BCEDLP C=CCNC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000171413254 385483532 /nfs/dbraw/zinc/48/35/32/385483532.db2.gz WLAGEANGLOWOGD-UHFFFAOYSA-N 2 2 240.351 0.188 20 30 BCEDLP C=CCNC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000171413254 385483543 /nfs/dbraw/zinc/48/35/43/385483543.db2.gz WLAGEANGLOWOGD-UHFFFAOYSA-N 2 2 240.351 0.188 20 30 BCEDLP C#CCNC(NCCn1cc[nH+]c1)=[NH+]CC ZINC000262612258 533142306 /nfs/dbraw/zinc/14/23/06/533142306.db2.gz JWHZYSAMSHSDNL-UHFFFAOYSA-N 2 2 219.292 0.071 20 30 BCEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470421 385885161 /nfs/dbraw/zinc/88/51/61/385885161.db2.gz NPQKSVCRUIPLDP-WDEREUQCSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC000123470421 385885165 /nfs/dbraw/zinc/88/51/65/385885165.db2.gz NPQKSVCRUIPLDP-WDEREUQCSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470421 385885169 /nfs/dbraw/zinc/88/51/69/385885169.db2.gz NPQKSVCRUIPLDP-WDEREUQCSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470421 385885174 /nfs/dbraw/zinc/88/51/74/385885174.db2.gz NPQKSVCRUIPLDP-WDEREUQCSA-N 2 2 238.335 0.041 20 30 BCEDLP C#CC[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000263721420 533156736 /nfs/dbraw/zinc/15/67/36/533156736.db2.gz BIWUSHBGWRDZPL-UHFFFAOYSA-N 2 2 241.298 0.713 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334995892 387088331 /nfs/dbraw/zinc/08/83/31/387088331.db2.gz OBPCUCLJTHZRLG-JSGCOSHPSA-N 2 2 249.358 0.459 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334995892 387088334 /nfs/dbraw/zinc/08/83/34/387088334.db2.gz OBPCUCLJTHZRLG-JSGCOSHPSA-N 2 2 249.358 0.459 20 30 BCEDLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423344564 387193033 /nfs/dbraw/zinc/19/30/33/387193033.db2.gz WZLXQCGYODWTJN-NEPJUHHUSA-N 2 2 225.336 0.894 20 30 BCEDLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424138148 387668072 /nfs/dbraw/zinc/66/80/72/387668072.db2.gz PTYHEBLGBZDQRL-LLVKDONJSA-N 2 2 238.335 0.172 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000453322901 388046606 /nfs/dbraw/zinc/04/66/06/388046606.db2.gz AGJXBMTUNPRDIK-KKOKHZNYSA-N 2 2 210.321 0.870 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000453322901 388046608 /nfs/dbraw/zinc/04/66/08/388046608.db2.gz AGJXBMTUNPRDIK-KKOKHZNYSA-N 2 2 210.321 0.870 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000453322902 388046807 /nfs/dbraw/zinc/04/68/07/388046807.db2.gz AGJXBMTUNPRDIK-QCNOEVLYSA-N 2 2 210.321 0.870 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000453322902 388046809 /nfs/dbraw/zinc/04/68/09/388046809.db2.gz AGJXBMTUNPRDIK-QCNOEVLYSA-N 2 2 210.321 0.870 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000490852137 388256655 /nfs/dbraw/zinc/25/66/55/388256655.db2.gz LRKPYIQLOPKOCE-CYBMUJFWSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000490852137 388256656 /nfs/dbraw/zinc/25/66/56/388256656.db2.gz LRKPYIQLOPKOCE-CYBMUJFWSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000491748616 388317190 /nfs/dbraw/zinc/31/71/90/388317190.db2.gz YDYGQSLHXNBZHM-UHFFFAOYSA-N 2 2 248.330 0.414 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000491748616 388317191 /nfs/dbraw/zinc/31/71/91/388317191.db2.gz YDYGQSLHXNBZHM-UHFFFAOYSA-N 2 2 248.330 0.414 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000491751078 388317751 /nfs/dbraw/zinc/31/77/51/388317751.db2.gz JQLFUDNPJVEILF-NSHDSACASA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000491751078 388317752 /nfs/dbraw/zinc/31/77/52/388317752.db2.gz JQLFUDNPJVEILF-NSHDSACASA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000491751078 388317753 /nfs/dbraw/zinc/31/77/53/388317753.db2.gz JQLFUDNPJVEILF-NSHDSACASA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000491751078 388317754 /nfs/dbraw/zinc/31/77/54/388317754.db2.gz JQLFUDNPJVEILF-NSHDSACASA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491804010 388321677 /nfs/dbraw/zinc/32/16/77/388321677.db2.gz KDPAYRIWQHXOTC-UHFFFAOYSA-N 2 2 237.347 0.152 20 30 BCEDLP C#CC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491804010 388321678 /nfs/dbraw/zinc/32/16/78/388321678.db2.gz KDPAYRIWQHXOTC-UHFFFAOYSA-N 2 2 237.347 0.152 20 30 BCEDLP C#C[C@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000491817127 388323475 /nfs/dbraw/zinc/32/34/75/388323475.db2.gz UQANAOXDYTVRDI-LBPRGKRZSA-N 2 2 233.315 0.687 20 30 BCEDLP C#C[C@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000491817127 388323476 /nfs/dbraw/zinc/32/34/76/388323476.db2.gz UQANAOXDYTVRDI-LBPRGKRZSA-N 2 2 233.315 0.687 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000491231144 388278782 /nfs/dbraw/zinc/27/87/82/388278782.db2.gz QSDDZXKVIPFNAD-UHFFFAOYSA-N 2 2 248.330 0.034 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000491231144 388278783 /nfs/dbraw/zinc/27/87/83/388278783.db2.gz QSDDZXKVIPFNAD-UHFFFAOYSA-N 2 2 248.330 0.034 20 30 BCEDLP CNC(NCc1c[nH+]c2n1CCCC2)=[NH+]C ZINC000370292917 134225551 /nfs/dbraw/zinc/22/55/51/134225551.db2.gz AMDKEPHBNUGEDL-UHFFFAOYSA-N 2 2 221.308 0.514 20 30 BCEDLP C=CC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371637258 134229115 /nfs/dbraw/zinc/22/91/15/134229115.db2.gz HOXQTHGXSCPTKC-UHFFFAOYSA-N 2 2 237.347 0.411 20 30 BCEDLP C=CC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371637258 134229116 /nfs/dbraw/zinc/22/91/16/134229116.db2.gz HOXQTHGXSCPTKC-UHFFFAOYSA-N 2 2 237.347 0.411 20 30 BCEDLP NC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000303267795 134233089 /nfs/dbraw/zinc/23/30/89/134233089.db2.gz XSCKPRNGZWLRJV-UHFFFAOYSA-N 2 2 203.249 0.150 20 30 BCEDLP CC#CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377860386 134245068 /nfs/dbraw/zinc/24/50/68/134245068.db2.gz JVZQLSNSLSIUAJ-AWEZNQCLSA-N 2 2 235.375 0.722 20 30 BCEDLP CC#CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377860386 134245069 /nfs/dbraw/zinc/24/50/69/134245069.db2.gz JVZQLSNSLSIUAJ-AWEZNQCLSA-N 2 2 235.375 0.722 20 30 BCEDLP CN1CC[NH+]=C1NCCc1cn2ccccc2[nH+]1 ZINC000261858069 135112199 /nfs/dbraw/zinc/11/21/99/135112199.db2.gz AAELMEAOAPIYKQ-UHFFFAOYSA-N 2 2 243.314 0.768 20 30 BCEDLP C=CCNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000262627778 135119492 /nfs/dbraw/zinc/11/94/92/135119492.db2.gz DUBPGZZMGZPMQL-UHFFFAOYSA-N 2 2 236.323 0.076 20 30 BCEDLP Cc1c[nH+]ccc1CCNC1=[NH+]C[C@H](C)N1 ZINC000262676687 135120912 /nfs/dbraw/zinc/12/09/12/135120912.db2.gz UFVOGVKULDIWLW-JTQLQIEISA-N 2 2 218.304 0.870 20 30 BCEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NC1CC1 ZINC000269987115 135167830 /nfs/dbraw/zinc/16/78/30/135167830.db2.gz SVWIWUVGWJAGIO-UHFFFAOYSA-N 2 2 218.304 0.999 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)NC)CC1 ZINC000341905287 135244743 /nfs/dbraw/zinc/24/47/43/135244743.db2.gz VZOGDPKOWMURDT-NSHDSACASA-N 2 2 239.363 0.751 20 30 BCEDLP Cn1c[nH+]cc1CNC(=[NH2+])NC(C)(C)C ZINC000262364999 135297235 /nfs/dbraw/zinc/29/72/35/135297235.db2.gz JZLSEYYZWRDFBR-UHFFFAOYSA-N 2 2 209.297 0.623 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491229500 398034394 /nfs/dbraw/zinc/03/43/94/398034394.db2.gz HOQNJEQNSACXAI-WCQYABFASA-N 2 2 249.358 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491229500 398034398 /nfs/dbraw/zinc/03/43/98/398034398.db2.gz HOQNJEQNSACXAI-WCQYABFASA-N 2 2 249.358 0.198 20 30 BCEDLP C[N@@H+]1CCN(Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000226614244 409778759 /nfs/dbraw/zinc/77/87/59/409778759.db2.gz UCBCHYSVQCPCIE-AWEZNQCLSA-N 2 2 244.342 0.633 20 30 BCEDLP C[N@H+]1CCN(Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000226614244 409778768 /nfs/dbraw/zinc/77/87/68/409778768.db2.gz UCBCHYSVQCPCIE-AWEZNQCLSA-N 2 2 244.342 0.633 20 30 BCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644745 411452465 /nfs/dbraw/zinc/45/24/65/411452465.db2.gz JYSSPXLWHRZKDL-LLVKDONJSA-N 2 2 236.319 0.469 20 30 BCEDLP C=CCNC(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657427684 411503954 /nfs/dbraw/zinc/50/39/54/411503954.db2.gz DKYAACJALILIJK-UHFFFAOYSA-N 2 2 234.303 0.221 20 30 BCEDLP C=CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662298834 412086440 /nfs/dbraw/zinc/08/64/40/412086440.db2.gz HQBOKFSYDWFSKK-NWDGAFQWSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662298834 412086442 /nfs/dbraw/zinc/08/64/42/412086442.db2.gz HQBOKFSYDWFSKK-NWDGAFQWSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000564841030 325814906 /nfs/dbraw/zinc/81/49/06/325814906.db2.gz MKRMRCJIJGCBCW-FOSCPWQOSA-N 2 2 247.346 0.837 20 30 BCEDLP C=CC[NH+](CC=C)C[C@@H](O)C[N@@H+](C)CC ZINC000567211926 326139232 /nfs/dbraw/zinc/13/92/32/326139232.db2.gz WKKMZWGNILVTJE-LBPRGKRZSA-N 2 2 212.337 0.973 20 30 BCEDLP C=CC[NH+](CC=C)C[C@@H](O)C[N@H+](C)CC ZINC000567211926 326139233 /nfs/dbraw/zinc/13/92/33/326139233.db2.gz WKKMZWGNILVTJE-LBPRGKRZSA-N 2 2 212.337 0.973 20 30 BCEDLP C=C(C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567249318 326150704 /nfs/dbraw/zinc/15/07/04/326150704.db2.gz SYDMTQGXAYUGQV-LLVKDONJSA-N 2 2 240.351 0.237 20 30 BCEDLP C=C(C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567249318 326150706 /nfs/dbraw/zinc/15/07/06/326150706.db2.gz SYDMTQGXAYUGQV-LLVKDONJSA-N 2 2 240.351 0.237 20 30 BCEDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000568096376 326307217 /nfs/dbraw/zinc/30/72/17/326307217.db2.gz ZIJAJAILNIJTQF-AWEZNQCLSA-N 2 2 244.342 0.551 20 30 BCEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC#CCOC)C1 ZINC000677820732 488136894 /nfs/dbraw/zinc/13/68/94/488136894.db2.gz UJECUYRUVLTGQQ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC#CCOC)C1 ZINC000677820732 488136899 /nfs/dbraw/zinc/13/68/99/488136899.db2.gz UJECUYRUVLTGQQ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820732 488136905 /nfs/dbraw/zinc/13/69/05/488136905.db2.gz UJECUYRUVLTGQQ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC000677820732 488136909 /nfs/dbraw/zinc/13/69/09/488136909.db2.gz UJECUYRUVLTGQQ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573840 534821868 /nfs/dbraw/zinc/82/18/68/534821868.db2.gz CWIWJWCOWWEHMH-BETUJISGSA-N 2 2 249.358 0.338 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573840 534821873 /nfs/dbraw/zinc/82/18/73/534821873.db2.gz CWIWJWCOWWEHMH-BETUJISGSA-N 2 2 249.358 0.338 20 30 BCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCCC1 ZINC000263271511 535262050 /nfs/dbraw/zinc/26/20/50/535262050.db2.gz XAENQORXJWYNNW-UHFFFAOYSA-N 2 2 235.335 0.944 20 30 BCEDLP CN(C)C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N(C)C ZINC000849020479 582828417 /nfs/dbraw/zinc/82/84/17/582828417.db2.gz VZUMBORDFHRWEO-JTQLQIEISA-N 2 2 235.335 0.677 20 30 BCEDLP C#CCOCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140898 583472852 /nfs/dbraw/zinc/47/28/52/583472852.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140898 583472853 /nfs/dbraw/zinc/47/28/53/583472853.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140898 583472855 /nfs/dbraw/zinc/47/28/55/583472855.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140898 583472857 /nfs/dbraw/zinc/47/28/57/583472857.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920616 584029777 /nfs/dbraw/zinc/02/97/77/584029777.db2.gz NRCGOXIRLPIQPW-GFCCVEGCSA-N 2 2 246.314 0.269 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920616 584029779 /nfs/dbraw/zinc/02/97/79/584029779.db2.gz NRCGOXIRLPIQPW-GFCCVEGCSA-N 2 2 246.314 0.269 20 30 BCEDLP C#CC1(O)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000898144903 584086550 /nfs/dbraw/zinc/08/65/50/584086550.db2.gz QZJYLUTVDAHZAW-UHFFFAOYSA-N 2 2 208.305 0.008 20 30 BCEDLP CCN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000901278308 584413968 /nfs/dbraw/zinc/41/39/68/584413968.db2.gz BUUDIRJHFGXILZ-UHFFFAOYSA-N 2 2 248.334 0.172 20 30 BCEDLP CC(=NNCCCn1cc[nH+]c1)c1c[nH]c(N)[nH+]1 ZINC000901261968 584417206 /nfs/dbraw/zinc/41/72/06/584417206.db2.gz RRRXJJJGMQUENF-UHFFFAOYSA-N 2 2 247.306 0.592 20 30 BCEDLP C#CCN1CCC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000886209623 585112843 /nfs/dbraw/zinc/11/28/43/585112843.db2.gz QBGDTKODFKYDSQ-CYBMUJFWSA-N 2 2 246.358 0.916 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741791517 585118993 /nfs/dbraw/zinc/11/89/93/585118993.db2.gz WGVHGYBFBOBOFN-RYUDHWBXSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741791517 585118994 /nfs/dbraw/zinc/11/89/94/585118994.db2.gz WGVHGYBFBOBOFN-RYUDHWBXSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741791517 585118995 /nfs/dbraw/zinc/11/89/95/585118995.db2.gz WGVHGYBFBOBOFN-RYUDHWBXSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741791517 585118996 /nfs/dbraw/zinc/11/89/96/585118996.db2.gz WGVHGYBFBOBOFN-RYUDHWBXSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741791515 585119113 /nfs/dbraw/zinc/11/91/13/585119113.db2.gz WGVHGYBFBOBOFN-NWDGAFQWSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741791515 585119114 /nfs/dbraw/zinc/11/91/14/585119114.db2.gz WGVHGYBFBOBOFN-NWDGAFQWSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741791515 585119115 /nfs/dbraw/zinc/11/91/15/585119115.db2.gz WGVHGYBFBOBOFN-NWDGAFQWSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741791515 585119116 /nfs/dbraw/zinc/11/91/16/585119116.db2.gz WGVHGYBFBOBOFN-NWDGAFQWSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000746192561 585164927 /nfs/dbraw/zinc/16/49/27/585164927.db2.gz YJMLUHMXLIMRDP-UHFFFAOYSA-N 2 2 246.314 0.051 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000748406713 585192552 /nfs/dbraw/zinc/19/25/52/585192552.db2.gz VBDSYJSSBYLIOZ-LBPRGKRZSA-N 2 2 246.314 0.432 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000748406713 585192553 /nfs/dbraw/zinc/19/25/53/585192553.db2.gz VBDSYJSSBYLIOZ-LBPRGKRZSA-N 2 2 246.314 0.432 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000748569423 585194279 /nfs/dbraw/zinc/19/42/79/585194279.db2.gz BLQQOWSOOGHFRX-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000748569423 585194280 /nfs/dbraw/zinc/19/42/80/585194280.db2.gz BLQQOWSOOGHFRX-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C[C@@H]1C[N@H+](C)CC1=NN1CC[NH+](C)CC1 ZINC000752158015 585242812 /nfs/dbraw/zinc/24/28/12/585242812.db2.gz SJBVIBANYZIBAT-SNVBAGLBSA-N 2 2 210.325 0.171 20 30 BCEDLP C[C@@H]1C[N@@H+](C)CC1=NN1CC[NH+](C)CC1 ZINC000752158015 585242813 /nfs/dbraw/zinc/24/28/13/585242813.db2.gz SJBVIBANYZIBAT-SNVBAGLBSA-N 2 2 210.325 0.171 20 30 BCEDLP C[C@@H]1C[N@H+](C)CC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753927123 585272151 /nfs/dbraw/zinc/27/21/51/585272151.db2.gz AKXLWPUIOJSXFV-GMTAPVOTSA-N 2 2 249.362 0.784 20 30 BCEDLP C[C@@H]1C[N@@H+](C)CC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753927123 585272152 /nfs/dbraw/zinc/27/21/52/585272152.db2.gz AKXLWPUIOJSXFV-GMTAPVOTSA-N 2 2 249.362 0.784 20 30 BCEDLP Cc1[nH]c[nH+]c1C=NNc1cc[nH+]cc1 ZINC000779808601 585765743 /nfs/dbraw/zinc/76/57/43/585765743.db2.gz MUNSWMIQTSINJS-UHFFFAOYSA-N 2 2 201.233 0.981 20 30 BCEDLP NC(=[NH2+])NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783824443 585844250 /nfs/dbraw/zinc/84/42/50/585844250.db2.gz SUKXROWPXYVRAH-UHFFFAOYSA-N 2 2 234.288 0.751 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000839900695 586219068 /nfs/dbraw/zinc/21/90/68/586219068.db2.gz TYCPIKAODQJGAS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000839900695 586219070 /nfs/dbraw/zinc/21/90/70/586219070.db2.gz TYCPIKAODQJGAS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)C1 ZINC000839900695 586219073 /nfs/dbraw/zinc/21/90/73/586219073.db2.gz TYCPIKAODQJGAS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)C1 ZINC000839900695 586219075 /nfs/dbraw/zinc/21/90/75/586219075.db2.gz TYCPIKAODQJGAS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C[C@@H](O)CN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000814964783 586660977 /nfs/dbraw/zinc/66/09/77/586660977.db2.gz DPLPITSAXDVSEL-SECBINFHSA-N 2 2 222.292 0.452 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1c[nH+]ccc1OC ZINC000817086059 586781190 /nfs/dbraw/zinc/78/11/90/586781190.db2.gz LCWRMRNCADBPKQ-UHFFFAOYSA-N 2 2 249.314 0.824 20 30 BCEDLP Nc1ccc2c(c1)CCCC2=[NH+]NC1=[NH+]CCN1 ZINC000841659772 587969834 /nfs/dbraw/zinc/96/98/34/587969834.db2.gz LTRMWXWVEGQSFV-UHFFFAOYSA-N 2 2 243.314 0.858 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387116 588375759 /nfs/dbraw/zinc/37/57/59/588375759.db2.gz JKFKNNKOMZXPEP-MNOVXSKESA-N 2 2 246.314 0.685 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387116 588375761 /nfs/dbraw/zinc/37/57/61/588375761.db2.gz JKFKNNKOMZXPEP-MNOVXSKESA-N 2 2 246.314 0.685 20 30 BCEDLP Nc1ncc(C=[NH+]NCCCn2cc[nH+]c2)cn1 ZINC000848419281 588382029 /nfs/dbraw/zinc/38/20/29/588382029.db2.gz WTLHBRKMBVIROC-UHFFFAOYSA-N 2 2 245.290 0.269 20 30 BCEDLP O=C(C#CC1CC[NH2+]CC1)NCCn1cc[nH+]c1 ZINC000852856068 588708530 /nfs/dbraw/zinc/70/85/30/588708530.db2.gz TZUAUZNRIURJDT-UHFFFAOYSA-N 2 2 246.314 0.002 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000876709018 590232484 /nfs/dbraw/zinc/23/24/84/590232484.db2.gz HASLQJKAZBWMPP-SECBINFHSA-N 2 2 242.710 0.469 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000876765592 590239563 /nfs/dbraw/zinc/23/95/63/590239563.db2.gz VOLMCJYGDUALKC-MRVPVSSYSA-N 2 2 242.710 0.538 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569376 590805812 /nfs/dbraw/zinc/80/58/12/590805812.db2.gz OFRFPAQIGFRVPJ-RWMBFGLXSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569376 590805819 /nfs/dbraw/zinc/80/58/19/590805819.db2.gz OFRFPAQIGFRVPJ-RWMBFGLXSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569376 590805821 /nfs/dbraw/zinc/80/58/21/590805821.db2.gz OFRFPAQIGFRVPJ-RWMBFGLXSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569376 590805826 /nfs/dbraw/zinc/80/58/26/590805826.db2.gz OFRFPAQIGFRVPJ-RWMBFGLXSA-N 2 2 249.358 0.150 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880137769 590940529 /nfs/dbraw/zinc/94/05/29/590940529.db2.gz KNBMGMOWSNAQMX-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880137769 590940531 /nfs/dbraw/zinc/94/05/31/590940531.db2.gz KNBMGMOWSNAQMX-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880137769 590940533 /nfs/dbraw/zinc/94/05/33/590940533.db2.gz KNBMGMOWSNAQMX-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880137769 590940534 /nfs/dbraw/zinc/94/05/34/590940534.db2.gz KNBMGMOWSNAQMX-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000224013231 592549028 /nfs/dbraw/zinc/54/90/28/592549028.db2.gz UVCBHJZLLOWTPD-QWHCGFSZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000224013231 592549031 /nfs/dbraw/zinc/54/90/31/592549031.db2.gz UVCBHJZLLOWTPD-QWHCGFSZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000224013231 592549033 /nfs/dbraw/zinc/54/90/33/592549033.db2.gz UVCBHJZLLOWTPD-QWHCGFSZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000224013231 592549035 /nfs/dbraw/zinc/54/90/35/592549035.db2.gz UVCBHJZLLOWTPD-QWHCGFSZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926488858 632129094 /nfs/dbraw/zinc/12/90/94/632129094.db2.gz AUJVTNOAXWCFLS-LLVKDONJSA-N 2 2 237.347 0.056 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926488858 632129108 /nfs/dbraw/zinc/12/91/08/632129108.db2.gz AUJVTNOAXWCFLS-LLVKDONJSA-N 2 2 237.347 0.056 20 30 BCEDLP C#C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000309533057 632473674 /nfs/dbraw/zinc/47/36/74/632473674.db2.gz DMAPIIHQQNXYLG-RYUDHWBXSA-N 2 2 219.288 0.654 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1C ZINC000328206838 633743260 /nfs/dbraw/zinc/74/32/60/633743260.db2.gz VEFPFXMLEZUQKF-UHFFFAOYSA-N 2 2 220.320 0.763 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1C ZINC000328206838 633743269 /nfs/dbraw/zinc/74/32/69/633743269.db2.gz VEFPFXMLEZUQKF-UHFFFAOYSA-N 2 2 220.320 0.763 20 30 BCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538330 635237166 /nfs/dbraw/zinc/23/71/66/635237166.db2.gz FDKILFMKEJCDSU-LBPRGKRZSA-N 2 2 246.314 0.049 20 30 BCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538330 635237169 /nfs/dbraw/zinc/23/71/69/635237169.db2.gz FDKILFMKEJCDSU-LBPRGKRZSA-N 2 2 246.314 0.049 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987062238 636622098 /nfs/dbraw/zinc/62/20/98/636622098.db2.gz BDKFPUXLQDKSOG-JQWIXIFHSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989609999 636866030 /nfs/dbraw/zinc/86/60/30/636866030.db2.gz VNJZQKVPPFZQDZ-MNOVXSKESA-N 2 2 248.330 0.717 20 30 BCEDLP N#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787418 637381197 /nfs/dbraw/zinc/38/11/97/637381197.db2.gz WBSWOAZLEDHWQT-MELADBBJSA-N 2 2 249.358 0.991 20 30 BCEDLP N#C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787418 637381203 /nfs/dbraw/zinc/38/12/03/637381203.db2.gz WBSWOAZLEDHWQT-MELADBBJSA-N 2 2 249.358 0.991 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908437292 638715810 /nfs/dbraw/zinc/71/58/10/638715810.db2.gz MQQATSFSWMLERP-UHFFFAOYSA-N 2 2 234.303 0.024 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908437292 638715814 /nfs/dbraw/zinc/71/58/14/638715814.db2.gz MQQATSFSWMLERP-UHFFFAOYSA-N 2 2 234.303 0.024 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030335719 640768845 /nfs/dbraw/zinc/76/88/45/640768845.db2.gz AQVXIGCNVYMBJD-DGCLKSJQSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030335719 640768852 /nfs/dbraw/zinc/76/88/52/640768852.db2.gz AQVXIGCNVYMBJD-DGCLKSJQSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC1(O)C[NH+](CCCCn2cc[nH+]c2C)C1 ZINC000934450117 641149525 /nfs/dbraw/zinc/14/95/25/641149525.db2.gz QQJNZYPJMYJAFI-UHFFFAOYSA-N 2 2 233.315 0.652 20 30 BCEDLP C=CCCOCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000231798792 641207038 /nfs/dbraw/zinc/20/70/38/641207038.db2.gz WTMPRRWPBRVKCL-QWHCGFSZSA-N 2 2 242.363 0.936 20 30 BCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014954115 641211677 /nfs/dbraw/zinc/21/16/77/641211677.db2.gz JNJSBAFMJLGMIK-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014954115 641211679 /nfs/dbraw/zinc/21/16/79/641211679.db2.gz JNJSBAFMJLGMIK-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014954115 641211681 /nfs/dbraw/zinc/21/16/81/641211681.db2.gz JNJSBAFMJLGMIK-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014954115 641211684 /nfs/dbraw/zinc/21/16/84/641211684.db2.gz JNJSBAFMJLGMIK-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030955711 641521731 /nfs/dbraw/zinc/52/17/31/641521731.db2.gz KDHBWZRGZJFBAF-GFCCVEGCSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030955711 641521738 /nfs/dbraw/zinc/52/17/38/641521738.db2.gz KDHBWZRGZJFBAF-GFCCVEGCSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030961203 641527935 /nfs/dbraw/zinc/52/79/35/641527935.db2.gz RUQKZIIDFXJSMV-DGCLKSJQSA-N 2 2 249.358 0.008 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030961203 641527936 /nfs/dbraw/zinc/52/79/36/641527936.db2.gz RUQKZIIDFXJSMV-DGCLKSJQSA-N 2 2 249.358 0.008 20 30 BCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963005388 642737888 /nfs/dbraw/zinc/73/78/88/642737888.db2.gz WFRNNVLWLDVTKX-PJXYFTJBSA-N 2 2 246.314 0.116 20 30 BCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963005388 642737889 /nfs/dbraw/zinc/73/78/89/642737889.db2.gz WFRNNVLWLDVTKX-PJXYFTJBSA-N 2 2 246.314 0.116 20 30 BCEDLP NC(=[NH2+])NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000252447819 642889001 /nfs/dbraw/zinc/88/90/01/642889001.db2.gz PJBKKUHSCJFSFF-UHFFFAOYSA-N 2 2 228.259 0.689 20 30 BCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016396540 642955254 /nfs/dbraw/zinc/95/52/54/642955254.db2.gz DNNYVEBIOLOGCE-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019213003 643022097 /nfs/dbraw/zinc/02/20/97/643022097.db2.gz YHOBZBVMRUKXDU-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019436006 643033486 /nfs/dbraw/zinc/03/34/86/643033486.db2.gz PLDMUKQBOUHGRB-NSHDSACASA-N 2 2 248.330 0.719 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000970579284 643467417 /nfs/dbraw/zinc/46/74/17/643467417.db2.gz HKZYVTZXDJLEJL-LLVKDONJSA-N 2 2 248.330 0.637 20 30 BCEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970858179 643577446 /nfs/dbraw/zinc/57/74/46/643577446.db2.gz QRQJLLKSOMZVHQ-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001056456 643802732 /nfs/dbraw/zinc/80/27/32/643802732.db2.gz QTGRWCOEAXAAGE-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000923299026 644326056 /nfs/dbraw/zinc/32/60/56/644326056.db2.gz WIXXVQWUEXPTQY-GRYCIOLGSA-N 2 2 228.336 0.362 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000923299026 644326059 /nfs/dbraw/zinc/32/60/59/644326059.db2.gz WIXXVQWUEXPTQY-GRYCIOLGSA-N 2 2 228.336 0.362 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362361 644386593 /nfs/dbraw/zinc/38/65/93/644386593.db2.gz XOXVXZDCGPKWFX-WOPDTQHZSA-N 2 2 210.321 0.607 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362361 644386594 /nfs/dbraw/zinc/38/65/94/644386594.db2.gz XOXVXZDCGPKWFX-WOPDTQHZSA-N 2 2 210.321 0.607 20 30 BCEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782369 646307796 /nfs/dbraw/zinc/30/77/96/646307796.db2.gz MGUQEWDNFVITTD-GRYCIOLGSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1C ZINC000929782369 646307799 /nfs/dbraw/zinc/30/77/99/646307799.db2.gz MGUQEWDNFVITTD-GRYCIOLGSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782369 646307800 /nfs/dbraw/zinc/30/78/00/646307800.db2.gz MGUQEWDNFVITTD-GRYCIOLGSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782369 646307804 /nfs/dbraw/zinc/30/78/04/646307804.db2.gz MGUQEWDNFVITTD-GRYCIOLGSA-N 2 2 225.336 0.675 20 30 BCEDLP C=CCOCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925707401 646432876 /nfs/dbraw/zinc/43/28/76/646432876.db2.gz IQKGKTNVVFNKFD-LLVKDONJSA-N 2 2 214.309 0.157 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925772852 646473832 /nfs/dbraw/zinc/47/38/32/646473832.db2.gz VKEQOYSWFJPVDR-JHJVBQTASA-N 2 2 242.363 0.670 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000925772855 646473948 /nfs/dbraw/zinc/47/39/48/646473948.db2.gz VKEQOYSWFJPVDR-XQQFMLRXSA-N 2 2 242.363 0.670 20 30 BCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042545517 710790903 /nfs/dbraw/zinc/79/09/03/710790903.db2.gz DSNHHKFXPQEKRM-ZDUSSCGKSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042545517 710790908 /nfs/dbraw/zinc/79/09/08/710790908.db2.gz DSNHHKFXPQEKRM-ZDUSSCGKSA-N 2 2 249.358 0.247 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384139787 710990128 /nfs/dbraw/zinc/99/01/28/710990128.db2.gz FMKMIZXYJKJJLG-OLZOCXBDSA-N 2 2 224.348 0.833 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384139787 710990130 /nfs/dbraw/zinc/99/01/30/710990130.db2.gz FMKMIZXYJKJJLG-OLZOCXBDSA-N 2 2 224.348 0.833 20 30 BCEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020818865 711467988 /nfs/dbraw/zinc/46/79/88/711467988.db2.gz GYRIUNSBXHGJLA-XYPYZODXSA-N 2 2 248.330 0.765 20 30 BCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001023024955 711609220 /nfs/dbraw/zinc/60/92/20/711609220.db2.gz NUMUBDBMVQHUJN-PHIMTYICSA-N 2 2 246.314 0.131 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040601075 136222406 /nfs/dbraw/zinc/22/24/06/136222406.db2.gz WVYVCTIZRAGFMM-NSHDSACASA-N 2 2 225.336 0.220 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040601075 136222407 /nfs/dbraw/zinc/22/24/07/136222407.db2.gz WVYVCTIZRAGFMM-NSHDSACASA-N 2 2 225.336 0.220 20 30 BCEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309582560 342715790 /nfs/dbraw/zinc/71/57/90/342715790.db2.gz QVSFJCYQHSFEPS-UWVGGRQHSA-N 2 2 217.272 0.802 20 30 BCEDLP CC#CC[NH2+]Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232337 362287993 /nfs/dbraw/zinc/28/79/93/362287993.db2.gz CDPCSKHEKDDPFU-UHFFFAOYSA-N 2 2 247.346 0.391 20 30 BCEDLP N#CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000600734528 344365105 /nfs/dbraw/zinc/36/51/05/344365105.db2.gz DKTZGGNFSYISCC-LBPRGKRZSA-N 2 2 237.347 0.727 20 30 BCEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600715701 344362185 /nfs/dbraw/zinc/36/21/85/344362185.db2.gz HPYMFEGQVQTUCT-NEPJUHHUSA-N 2 2 248.330 0.916 20 30 BCEDLP C=CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159372414 345429045 /nfs/dbraw/zinc/42/90/45/345429045.db2.gz LZEDXWGCDBSXIS-LBPRGKRZSA-N 2 2 237.347 0.587 20 30 BCEDLP C=CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159372414 345429048 /nfs/dbraw/zinc/42/90/48/345429048.db2.gz LZEDXWGCDBSXIS-LBPRGKRZSA-N 2 2 237.347 0.587 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641807710 362766487 /nfs/dbraw/zinc/76/64/87/362766487.db2.gz JEXYNSRZTSOUFE-UTUOFQBUSA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641807710 362766491 /nfs/dbraw/zinc/76/64/91/362766491.db2.gz JEXYNSRZTSOUFE-UTUOFQBUSA-N 2 2 239.363 0.736 20 30 BCEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000580649696 365845212 /nfs/dbraw/zinc/84/52/12/365845212.db2.gz RMYOFAUCAMOKNM-CYBMUJFWSA-N 2 2 231.299 0.636 20 30 BCEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)NC1CC1 ZINC000195522537 347457483 /nfs/dbraw/zinc/45/74/83/347457483.db2.gz SNKWUZRBLPGIPN-UHFFFAOYSA-N 2 2 233.319 0.950 20 30 BCEDLP COCC[N@@H+]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000336776192 347503695 /nfs/dbraw/zinc/50/36/95/347503695.db2.gz DZWXROHVRSEHSX-LBPRGKRZSA-N 2 2 225.336 0.991 20 30 BCEDLP COCC[N@H+]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000336776192 347503698 /nfs/dbraw/zinc/50/36/98/347503698.db2.gz DZWXROHVRSEHSX-LBPRGKRZSA-N 2 2 225.336 0.991 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083573 347616580 /nfs/dbraw/zinc/61/65/80/347616580.db2.gz YMGPXUZLUCXHJL-GFCCVEGCSA-N 2 2 248.330 0.822 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083573 347616583 /nfs/dbraw/zinc/61/65/83/347616583.db2.gz YMGPXUZLUCXHJL-GFCCVEGCSA-N 2 2 248.330 0.822 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083574 347616601 /nfs/dbraw/zinc/61/66/01/347616601.db2.gz YMGPXUZLUCXHJL-LBPRGKRZSA-N 2 2 248.330 0.822 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083574 347616605 /nfs/dbraw/zinc/61/66/05/347616605.db2.gz YMGPXUZLUCXHJL-LBPRGKRZSA-N 2 2 248.330 0.822 20 30 BCEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000593947826 347977909 /nfs/dbraw/zinc/97/79/09/347977909.db2.gz ZESYBQFFKXJQCV-VXGBXAGGSA-N 2 2 228.299 0.604 20 30 BCEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612698 348083111 /nfs/dbraw/zinc/08/31/11/348083111.db2.gz PQEFGDZTNIOEJL-YPMHNXCESA-N 2 2 237.347 0.989 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612695 348083203 /nfs/dbraw/zinc/08/32/03/348083203.db2.gz PQEFGDZTNIOEJL-AAEUAGOBSA-N 2 2 237.347 0.989 20 30 BCEDLP N#CCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863742 348383843 /nfs/dbraw/zinc/38/38/43/348383843.db2.gz OHVSNNBLFWAEHZ-ZDUSSCGKSA-N 2 2 237.347 0.821 20 30 BCEDLP N#CCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595863742 348383844 /nfs/dbraw/zinc/38/38/44/348383844.db2.gz OHVSNNBLFWAEHZ-ZDUSSCGKSA-N 2 2 237.347 0.821 20 30 BCEDLP N#C[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599093276 349092228 /nfs/dbraw/zinc/09/22/28/349092228.db2.gz OIPFYQZLTIEGGD-SRVKXCTJSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599093276 349092230 /nfs/dbraw/zinc/09/22/30/349092230.db2.gz OIPFYQZLTIEGGD-SRVKXCTJSA-N 2 2 223.320 0.335 20 30 BCEDLP C[N@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000601960165 349401593 /nfs/dbraw/zinc/40/15/93/349401593.db2.gz PYGSIMNDLSCZSA-LBPRGKRZSA-N 2 2 248.330 0.967 20 30 BCEDLP C[N@@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000601960165 349401595 /nfs/dbraw/zinc/40/15/95/349401595.db2.gz PYGSIMNDLSCZSA-LBPRGKRZSA-N 2 2 248.330 0.967 20 30 BCEDLP C[C@@]1(C[NH+]2CCN(CCC#N)CC2)CC[NH2+]C1 ZINC000602023621 349419889 /nfs/dbraw/zinc/41/98/89/349419889.db2.gz YWCOANUJDHIXAX-CYBMUJFWSA-N 2 2 236.363 0.517 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336760261 353171348 /nfs/dbraw/zinc/17/13/48/353171348.db2.gz MCJQESIHSLUBKM-WOPDTQHZSA-N 2 2 212.337 0.711 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336760261 353171349 /nfs/dbraw/zinc/17/13/49/353171349.db2.gz MCJQESIHSLUBKM-WOPDTQHZSA-N 2 2 212.337 0.711 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336776718 353480794 /nfs/dbraw/zinc/48/07/94/353480794.db2.gz GLDYMLILHFOELE-NEPJUHHUSA-N 2 2 225.336 0.582 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336776718 353480796 /nfs/dbraw/zinc/48/07/96/353480796.db2.gz GLDYMLILHFOELE-NEPJUHHUSA-N 2 2 225.336 0.582 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343648369 353953522 /nfs/dbraw/zinc/95/35/22/353953522.db2.gz WEJYWYRSVIAFKN-UHFFFAOYSA-N 2 2 237.347 0.412 20 30 BCEDLP Cc1cc(N2CCC(O)(C[NH3+])CC2)c(C#N)c[nH+]1 ZINC000399105790 355368462 /nfs/dbraw/zinc/36/84/62/355368462.db2.gz XPSPIVFKQFZNSC-UHFFFAOYSA-N 2 2 246.314 0.552 20 30 BCEDLP C[N@@H+]1CCO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000329865108 356135853 /nfs/dbraw/zinc/13/58/53/356135853.db2.gz TYWXXDIXSJRECK-SECBINFHSA-N 2 2 238.291 0.239 20 30 BCEDLP C[N@H+]1CCO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000329865108 356135857 /nfs/dbraw/zinc/13/58/57/356135857.db2.gz TYWXXDIXSJRECK-SECBINFHSA-N 2 2 238.291 0.239 20 30 BCEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000384063560 356178681 /nfs/dbraw/zinc/17/86/81/356178681.db2.gz YMQHCAYBJXUNHG-GFCCVEGCSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000384063560 356178685 /nfs/dbraw/zinc/17/86/85/356178685.db2.gz YMQHCAYBJXUNHG-GFCCVEGCSA-N 2 2 239.363 0.925 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364908 192224287 /nfs/dbraw/zinc/22/42/87/192224287.db2.gz PNQJLNCUSKQATP-GHMZBOCLSA-N 2 2 239.363 0.736 20 30 BCEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767408 356696852 /nfs/dbraw/zinc/69/68/52/356696852.db2.gz QYZDYHGDUWILIG-QWHCGFSZSA-N 2 2 242.363 0.312 20 30 BCEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767408 356696857 /nfs/dbraw/zinc/69/68/57/356696857.db2.gz QYZDYHGDUWILIG-QWHCGFSZSA-N 2 2 242.363 0.312 20 30 BCEDLP CCNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264328845 535424338 /nfs/dbraw/zinc/42/43/38/535424338.db2.gz ZKVZNKPCOGNDQA-UHFFFAOYSA-N 2 2 221.308 0.644 20 30 BCEDLP C=CC[NH+](CCOC)C[C@H](O)C[N@@H+](C)CC ZINC000574581316 365096235 /nfs/dbraw/zinc/09/62/35/365096235.db2.gz HPLMPGUCDNNHBH-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CC[NH+](CCOC)C[C@H](O)C[N@H+](C)CC ZINC000574581316 365096239 /nfs/dbraw/zinc/09/62/39/365096239.db2.gz HPLMPGUCDNNHBH-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@H](O)C[NH+](C)CC ZINC000574581316 365096247 /nfs/dbraw/zinc/09/62/47/365096247.db2.gz HPLMPGUCDNNHBH-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@H](O)C[NH+](C)CC ZINC000574581316 365096253 /nfs/dbraw/zinc/09/62/53/365096253.db2.gz HPLMPGUCDNNHBH-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP CCNC(NCCn1cc[nH+]c1)=[NH+]CC ZINC000066244994 368642361 /nfs/dbraw/zinc/64/23/61/368642361.db2.gz DNFNJFNGPIIMNL-UHFFFAOYSA-N 2 2 209.297 0.458 20 30 BCEDLP C[N@H+](CCOCC[NH3+])Cc1ccncc1C#N ZINC000600739295 369561369 /nfs/dbraw/zinc/56/13/69/369561369.db2.gz AXZDUKINLXYNRR-UHFFFAOYSA-N 2 2 234.303 0.360 20 30 BCEDLP C[N@@H+](CCOCC[NH3+])Cc1ccncc1C#N ZINC000600739295 369561373 /nfs/dbraw/zinc/56/13/73/369561373.db2.gz AXZDUKINLXYNRR-UHFFFAOYSA-N 2 2 234.303 0.360 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)o1 ZINC000600769025 369562518 /nfs/dbraw/zinc/56/25/18/369562518.db2.gz JMEVASSVWPRSBK-LLVKDONJSA-N 2 2 205.261 0.978 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nn1 ZINC000424378669 206040270 /nfs/dbraw/zinc/04/02/70/206040270.db2.gz OANBWGLJILULJV-ZJUUUORDSA-N 2 2 223.324 0.680 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000490631286 384282469 /nfs/dbraw/zinc/28/24/69/384282469.db2.gz UNWTVHSNBLRODR-LLVKDONJSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000490631286 384282471 /nfs/dbraw/zinc/28/24/71/384282471.db2.gz UNWTVHSNBLRODR-LLVKDONJSA-N 2 2 210.321 0.397 20 30 BCEDLP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000104183636 384807194 /nfs/dbraw/zinc/80/71/94/384807194.db2.gz XUMVMFXMIMEIGE-UHFFFAOYSA-N 2 2 228.340 0.045 20 30 BCEDLP C=C(C)CNC(=[NH2+])NCC[N@H+](C)CCOC ZINC000104183636 384807198 /nfs/dbraw/zinc/80/71/98/384807198.db2.gz XUMVMFXMIMEIGE-UHFFFAOYSA-N 2 2 228.340 0.045 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784206 385170102 /nfs/dbraw/zinc/17/01/02/385170102.db2.gz GDWBIMQHQOAOFZ-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP COCC#CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784206 385170110 /nfs/dbraw/zinc/17/01/10/385170110.db2.gz GDWBIMQHQOAOFZ-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP COCC#CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784206 385170117 /nfs/dbraw/zinc/17/01/17/385170117.db2.gz GDWBIMQHQOAOFZ-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP COCC#CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784206 385170125 /nfs/dbraw/zinc/17/01/25/385170125.db2.gz GDWBIMQHQOAOFZ-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000408383769 385800352 /nfs/dbraw/zinc/80/03/52/385800352.db2.gz XVOYRIYZOPCKSA-NSHDSACASA-N 2 2 238.335 0.042 20 30 BCEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC000408383769 385800363 /nfs/dbraw/zinc/80/03/63/385800363.db2.gz XVOYRIYZOPCKSA-NSHDSACASA-N 2 2 238.335 0.042 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124427278 386622158 /nfs/dbraw/zinc/62/21/58/386622158.db2.gz XZGKYYKQOFVGTP-UHFFFAOYSA-N 2 2 236.319 0.507 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124427278 386622162 /nfs/dbraw/zinc/62/21/62/386622162.db2.gz XZGKYYKQOFVGTP-UHFFFAOYSA-N 2 2 236.319 0.507 20 30 BCEDLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424138157 387668709 /nfs/dbraw/zinc/66/87/09/387668709.db2.gz PTYHEBLGBZDQRL-NSHDSACASA-N 2 2 238.335 0.172 20 30 BCEDLP C#C[C@@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000491373666 388289593 /nfs/dbraw/zinc/28/95/93/388289593.db2.gz NVWHDZBSYZYBHU-LLVKDONJSA-N 2 2 219.288 0.297 20 30 BCEDLP C#C[C@@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000491373666 388289595 /nfs/dbraw/zinc/28/95/95/388289595.db2.gz NVWHDZBSYZYBHU-LLVKDONJSA-N 2 2 219.288 0.297 20 30 BCEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000491620651 388305324 /nfs/dbraw/zinc/30/53/24/388305324.db2.gz CPZJPXGSFFCGHN-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000491620651 388305325 /nfs/dbraw/zinc/30/53/25/388305325.db2.gz CPZJPXGSFFCGHN-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000491620651 388305326 /nfs/dbraw/zinc/30/53/26/388305326.db2.gz CPZJPXGSFFCGHN-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000491620651 388305327 /nfs/dbraw/zinc/30/53/27/388305327.db2.gz CPZJPXGSFFCGHN-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000491703803 388312933 /nfs/dbraw/zinc/31/29/33/388312933.db2.gz IFILLLBDFVLLGZ-GFCCVEGCSA-N 2 2 242.363 0.269 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491703803 388312934 /nfs/dbraw/zinc/31/29/34/388312934.db2.gz IFILLLBDFVLLGZ-GFCCVEGCSA-N 2 2 242.363 0.269 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491703803 388312935 /nfs/dbraw/zinc/31/29/35/388312935.db2.gz IFILLLBDFVLLGZ-GFCCVEGCSA-N 2 2 242.363 0.269 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000491709832 388313746 /nfs/dbraw/zinc/31/37/46/388313746.db2.gz PXGRGZJYEQYOKG-WAYWQWQTSA-N 2 2 246.314 0.494 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000491709832 388313747 /nfs/dbraw/zinc/31/37/47/388313747.db2.gz PXGRGZJYEQYOKG-WAYWQWQTSA-N 2 2 246.314 0.494 20 30 BCEDLP C#C[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000491758181 388318539 /nfs/dbraw/zinc/31/85/39/388318539.db2.gz HMHLYQMROBCQRP-JQWIXIFHSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000491758181 388318540 /nfs/dbraw/zinc/31/85/40/388318540.db2.gz HMHLYQMROBCQRP-JQWIXIFHSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491758181 388318541 /nfs/dbraw/zinc/31/85/41/388318541.db2.gz HMHLYQMROBCQRP-JQWIXIFHSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000491758181 388318542 /nfs/dbraw/zinc/31/85/42/388318542.db2.gz HMHLYQMROBCQRP-JQWIXIFHSA-N 2 2 210.321 0.395 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000519425050 256648753 /nfs/dbraw/zinc/64/87/53/256648753.db2.gz HBMWHRRCGPMCPN-MNOVXSKESA-N 2 2 235.335 0.824 20 30 BCEDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000228726324 388387891 /nfs/dbraw/zinc/38/78/91/388387891.db2.gz DQGHTQQGFNQKHI-CQSZACIVSA-N 2 2 247.342 0.960 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000521063744 388561056 /nfs/dbraw/zinc/56/10/56/388561056.db2.gz YVOUOBZCDBZFPQ-MNOVXSKESA-N 2 2 213.325 0.581 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000521063744 388561059 /nfs/dbraw/zinc/56/10/59/388561059.db2.gz YVOUOBZCDBZFPQ-MNOVXSKESA-N 2 2 213.325 0.581 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000521063747 388561418 /nfs/dbraw/zinc/56/14/18/388561418.db2.gz YVOUOBZCDBZFPQ-WDEREUQCSA-N 2 2 213.325 0.581 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000521063747 388561421 /nfs/dbraw/zinc/56/14/21/388561421.db2.gz YVOUOBZCDBZFPQ-WDEREUQCSA-N 2 2 213.325 0.581 20 30 BCEDLP C=C(C)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722969 533495435 /nfs/dbraw/zinc/49/54/35/533495435.db2.gz SUDHWKDRBYXLBX-UHFFFAOYSA-N 2 2 212.337 0.951 20 30 BCEDLP C=C(C)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722969 533495438 /nfs/dbraw/zinc/49/54/38/533495438.db2.gz SUDHWKDRBYXLBX-UHFFFAOYSA-N 2 2 212.337 0.951 20 30 BCEDLP C=CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352234404 134115026 /nfs/dbraw/zinc/11/50/26/134115026.db2.gz KTOLLWQTATYLPP-UHFFFAOYSA-N 2 2 247.346 0.851 20 30 BCEDLP CC#CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357700671 134184857 /nfs/dbraw/zinc/18/48/57/134184857.db2.gz FWIYTRJMDGXDMD-UHFFFAOYSA-N 2 2 210.321 0.398 20 30 BCEDLP CC#CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357700671 134184858 /nfs/dbraw/zinc/18/48/58/134184858.db2.gz FWIYTRJMDGXDMD-UHFFFAOYSA-N 2 2 210.321 0.398 20 30 BCEDLP C=CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000304172470 134236761 /nfs/dbraw/zinc/23/67/61/134236761.db2.gz RUPFPBSOHOVMBC-UHFFFAOYSA-N 2 2 212.337 0.951 20 30 BCEDLP C=CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000304172470 134236762 /nfs/dbraw/zinc/23/67/62/134236762.db2.gz RUPFPBSOHOVMBC-UHFFFAOYSA-N 2 2 212.337 0.951 20 30 BCEDLP CC#CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377860387 134245017 /nfs/dbraw/zinc/24/50/17/134245017.db2.gz JVZQLSNSLSIUAJ-CQSZACIVSA-N 2 2 235.375 0.722 20 30 BCEDLP CC#CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377860387 134245018 /nfs/dbraw/zinc/24/50/18/134245018.db2.gz JVZQLSNSLSIUAJ-CQSZACIVSA-N 2 2 235.375 0.722 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638507 135091514 /nfs/dbraw/zinc/09/15/14/135091514.db2.gz WGTSUBBCEPYHID-UHFFFAOYSA-N 2 2 213.325 0.205 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638507 135091515 /nfs/dbraw/zinc/09/15/15/135091515.db2.gz WGTSUBBCEPYHID-UHFFFAOYSA-N 2 2 213.325 0.205 20 30 BCEDLP CNC(=[NH2+])N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262015730 135114611 /nfs/dbraw/zinc/11/46/11/135114611.db2.gz XQCKTJZDBCGNEZ-ZJUUUORDSA-N 2 2 221.308 0.711 20 30 BCEDLP C#CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000078601938 135130575 /nfs/dbraw/zinc/13/05/75/135130575.db2.gz SNEDSQJTZWPXRL-AWEZNQCLSA-N 2 2 235.375 0.722 20 30 BCEDLP C#CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000078601938 135130577 /nfs/dbraw/zinc/13/05/77/135130577.db2.gz SNEDSQJTZWPXRL-AWEZNQCLSA-N 2 2 235.375 0.722 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561964 135203513 /nfs/dbraw/zinc/20/35/13/135203513.db2.gz VUUHTMIWXFYHHS-SRVKXCTJSA-N 2 2 237.347 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561964 135203514 /nfs/dbraw/zinc/20/35/14/135203514.db2.gz VUUHTMIWXFYHHS-SRVKXCTJSA-N 2 2 237.347 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562979 135205206 /nfs/dbraw/zinc/20/52/06/135205206.db2.gz WUDZZRFANDOYLR-SRVKXCTJSA-N 2 2 237.347 0.361 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562979 135205208 /nfs/dbraw/zinc/20/52/08/135205208.db2.gz WUDZZRFANDOYLR-SRVKXCTJSA-N 2 2 237.347 0.361 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000261580696 135221609 /nfs/dbraw/zinc/22/16/09/135221609.db2.gz NCNMYZFGXZMWRT-LLVKDONJSA-N 2 2 211.309 0.006 20 30 BCEDLP Cn1c[nH+]cc1CNC(=[NH2+])N1CCSCC1 ZINC000262284678 135290446 /nfs/dbraw/zinc/29/04/46/135290446.db2.gz JXSKOCHBPGYMDV-UHFFFAOYSA-N 2 2 239.348 0.284 20 30 BCEDLP C=C(C)CNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000263075714 135331090 /nfs/dbraw/zinc/33/10/90/135331090.db2.gz CKERYCVTNXLMQK-UHFFFAOYSA-N 2 2 207.281 0.364 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491229498 398034553 /nfs/dbraw/zinc/03/45/53/398034553.db2.gz HOQNJEQNSACXAI-AAEUAGOBSA-N 2 2 249.358 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491229498 398034555 /nfs/dbraw/zinc/03/45/55/398034555.db2.gz HOQNJEQNSACXAI-AAEUAGOBSA-N 2 2 249.358 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491229499 398034615 /nfs/dbraw/zinc/03/46/15/398034615.db2.gz HOQNJEQNSACXAI-DGCLKSJQSA-N 2 2 249.358 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491229499 398034619 /nfs/dbraw/zinc/03/46/19/398034619.db2.gz HOQNJEQNSACXAI-DGCLKSJQSA-N 2 2 249.358 0.198 20 30 BCEDLP C=CC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653092930 409692210 /nfs/dbraw/zinc/69/22/10/409692210.db2.gz PWSRKZFBWPEDMB-VHSXEESVSA-N 2 2 213.325 0.346 20 30 BCEDLP C=CC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653092929 409692477 /nfs/dbraw/zinc/69/24/77/409692477.db2.gz PWSRKZFBWPEDMB-UWVGGRQHSA-N 2 2 213.325 0.346 20 30 BCEDLP C=CCCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653094211 409701819 /nfs/dbraw/zinc/70/18/19/409701819.db2.gz ZYMQDACPYHGCTJ-NSHDSACASA-N 2 2 227.352 0.690 20 30 BCEDLP C=CCCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653094210 409701965 /nfs/dbraw/zinc/70/19/65/409701965.db2.gz ZYMQDACPYHGCTJ-LLVKDONJSA-N 2 2 227.352 0.690 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266912640 166366632 /nfs/dbraw/zinc/36/66/32/166366632.db2.gz JLRYLEXAXBGIPW-LLVKDONJSA-N 2 2 248.330 0.891 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266912640 166366633 /nfs/dbraw/zinc/36/66/33/166366633.db2.gz JLRYLEXAXBGIPW-LLVKDONJSA-N 2 2 248.330 0.891 20 30 BCEDLP C=CCCn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)nn1 ZINC000655937251 411159255 /nfs/dbraw/zinc/15/92/55/411159255.db2.gz XUSBBWMHVAHXNP-LLVKDONJSA-N 2 2 235.335 0.635 20 30 BCEDLP C=CCCn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)nn1 ZINC000655937251 411159258 /nfs/dbraw/zinc/15/92/58/411159258.db2.gz XUSBBWMHVAHXNP-LLVKDONJSA-N 2 2 235.335 0.635 20 30 BCEDLP C=C(C)[C@H](CO)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644746 411452674 /nfs/dbraw/zinc/45/26/74/411452674.db2.gz JYSSPXLWHRZKDL-NSHDSACASA-N 2 2 236.319 0.469 20 30 BCEDLP C=CCOCCC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000657658510 411572508 /nfs/dbraw/zinc/57/25/08/411572508.db2.gz ZYAYDJKLOPEHCQ-ZDUSSCGKSA-N 2 2 242.363 0.889 20 30 BCEDLP C=CCOCCC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000657658510 411572509 /nfs/dbraw/zinc/57/25/09/411572509.db2.gz ZYAYDJKLOPEHCQ-ZDUSSCGKSA-N 2 2 242.363 0.889 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CCC[NH3+] ZINC000133200719 411650823 /nfs/dbraw/zinc/65/08/23/411650823.db2.gz APVOFGGIPLJLJD-UHFFFAOYSA-N 2 2 225.336 0.468 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000133200719 411650829 /nfs/dbraw/zinc/65/08/29/411650829.db2.gz APVOFGGIPLJLJD-UHFFFAOYSA-N 2 2 225.336 0.468 20 30 BCEDLP C=CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665237837 412177757 /nfs/dbraw/zinc/17/77/57/412177757.db2.gz KYADOZJJYWQKCT-NEPJUHHUSA-N 2 2 210.321 0.919 20 30 BCEDLP C[C@H]1C[NH+]=C(NCCCn2cc[nH+]c2)N1 ZINC000285145490 177279329 /nfs/dbraw/zinc/27/93/29/177279329.db2.gz RMRXNYGVTXDREM-VIFPVBQESA-N 2 2 207.281 0.211 20 30 BCEDLP C#CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115550049 323077332 /nfs/dbraw/zinc/07/73/32/323077332.db2.gz ZZMLVMMIMPFHTH-UHFFFAOYSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115550049 323077333 /nfs/dbraw/zinc/07/73/33/323077333.db2.gz ZZMLVMMIMPFHTH-UHFFFAOYSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000395740209 323240319 /nfs/dbraw/zinc/24/03/19/323240319.db2.gz UIMKZTXJVKAYJQ-NSHDSACASA-N 2 2 237.347 0.198 20 30 BCEDLP C=C1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653174122 487958978 /nfs/dbraw/zinc/95/89/78/487958978.db2.gz BWLGRFRDMOFNBW-LLVKDONJSA-N 2 2 225.336 0.444 20 30 BCEDLP C=CC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000121300892 324008929 /nfs/dbraw/zinc/00/89/29/324008929.db2.gz PIJYKSHWBONPOY-LBPRGKRZSA-N 2 2 239.363 0.657 20 30 BCEDLP C=CC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000121300892 324008932 /nfs/dbraw/zinc/00/89/32/324008932.db2.gz PIJYKSHWBONPOY-LBPRGKRZSA-N 2 2 239.363 0.657 20 30 BCEDLP C=CC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000121300726 324009120 /nfs/dbraw/zinc/00/91/20/324009120.db2.gz PIJYKSHWBONPOY-GFCCVEGCSA-N 2 2 239.363 0.657 20 30 BCEDLP C=CC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000121300726 324009122 /nfs/dbraw/zinc/00/91/22/324009122.db2.gz PIJYKSHWBONPOY-GFCCVEGCSA-N 2 2 239.363 0.657 20 30 BCEDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000568096377 326307231 /nfs/dbraw/zinc/30/72/31/326307231.db2.gz ZIJAJAILNIJTQF-CQSZACIVSA-N 2 2 244.342 0.551 20 30 BCEDLP COCC#CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000677819657 488136373 /nfs/dbraw/zinc/13/63/73/488136373.db2.gz ITJWBAGQEMFTIA-UHFFFAOYSA-N 2 2 248.330 0.192 20 30 BCEDLP C=CCN(CC=C)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342167816 534822801 /nfs/dbraw/zinc/82/28/01/534822801.db2.gz PKACQOKJMLLRBI-UHFFFAOYSA-N 2 2 237.347 0.658 20 30 BCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1C[C@@H]1C ZINC000262788022 535261705 /nfs/dbraw/zinc/26/17/05/535261705.db2.gz JYVVDMPYZKMNFD-QWRGUYRKSA-N 2 2 235.335 0.847 20 30 BCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]1C ZINC000262788018 535262078 /nfs/dbraw/zinc/26/20/78/535262078.db2.gz JYVVDMPYZKMNFD-GHMZBOCLSA-N 2 2 235.335 0.847 20 30 BCEDLP CCN(CC)C(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264153370 535388558 /nfs/dbraw/zinc/38/85/58/535388558.db2.gz ZXOWFYYWHLMVFQ-UHFFFAOYSA-N 2 2 223.324 0.930 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856280136 588867000 /nfs/dbraw/zinc/86/70/00/588867000.db2.gz JWFZKPNCVPKZKV-JTQLQIEISA-N 2 2 236.319 0.715 20 30 BCEDLP C#Cc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000858341079 588946970 /nfs/dbraw/zinc/94/69/70/588946970.db2.gz XWLLSSVVPQFWFG-HNNXBMFYSA-N 2 2 244.338 0.824 20 30 BCEDLP C#Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000858341079 588946972 /nfs/dbraw/zinc/94/69/72/588946972.db2.gz XWLLSSVVPQFWFG-HNNXBMFYSA-N 2 2 244.338 0.824 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCc1[nH]cc[nH+]1 ZINC000900665315 584338014 /nfs/dbraw/zinc/33/80/14/584338014.db2.gz JWVNRJZNYVIQNB-UHFFFAOYSA-N 2 2 222.292 0.534 20 30 BCEDLP Cc1cc(C#N)cc(C)c1C[N@H+](CC[NH3+])CCO ZINC000903449125 584771175 /nfs/dbraw/zinc/77/11/75/584771175.db2.gz QIJKHBVDCBTFJC-UHFFFAOYSA-N 2 2 247.342 0.928 20 30 BCEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](CC[NH3+])CCO ZINC000903449125 584771176 /nfs/dbraw/zinc/77/11/76/584771176.db2.gz QIJKHBVDCBTFJC-UHFFFAOYSA-N 2 2 247.342 0.928 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467398 584774988 /nfs/dbraw/zinc/77/49/88/584774988.db2.gz AYYJCNQQGUQIQM-QWRGUYRKSA-N 2 2 237.347 0.551 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472982 584775951 /nfs/dbraw/zinc/77/59/51/584775951.db2.gz YJJMTNRJKFBROE-NWDGAFQWSA-N 2 2 249.358 0.648 20 30 BCEDLP C=CC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903905671 584820940 /nfs/dbraw/zinc/82/09/40/584820940.db2.gz LJLNEIFQLZDABP-LLVKDONJSA-N 2 2 235.335 0.820 20 30 BCEDLP C=CC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903905671 584820941 /nfs/dbraw/zinc/82/09/41/584820941.db2.gz LJLNEIFQLZDABP-LLVKDONJSA-N 2 2 235.335 0.820 20 30 BCEDLP C[C@@H]1C[N@H+](C)CC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753927124 585272193 /nfs/dbraw/zinc/27/21/93/585272193.db2.gz AKXLWPUIOJSXFV-MXWKQRLJSA-N 2 2 249.362 0.784 20 30 BCEDLP C[C@@H]1C[N@@H+](C)CC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753927124 585272194 /nfs/dbraw/zinc/27/21/94/585272194.db2.gz AKXLWPUIOJSXFV-MXWKQRLJSA-N 2 2 249.362 0.784 20 30 BCEDLP C[NH+]1CCN(N=C2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000765545028 585489535 /nfs/dbraw/zinc/48/95/35/585489535.db2.gz ZBWYDOBOLAGNFH-LBPRGKRZSA-N 2 2 222.336 0.458 20 30 BCEDLP C[NH+]1CCN(N=C2CC[N@H+]3CCC[C@@H]23)CC1 ZINC000765545028 585489536 /nfs/dbraw/zinc/48/95/36/585489536.db2.gz ZBWYDOBOLAGNFH-LBPRGKRZSA-N 2 2 222.336 0.458 20 30 BCEDLP O=C1C=C([NH2+]Nc2cc[nH+]cc2)[C@H]2CCCN12 ZINC000799484332 586179435 /nfs/dbraw/zinc/17/94/35/586179435.db2.gz ANVLDKLAJPADAT-LLVKDONJSA-N 2 2 230.271 0.666 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804332606 586391067 /nfs/dbraw/zinc/39/10/67/586391067.db2.gz NLJZLPZZPXMUFH-NSHDSACASA-N 2 2 248.330 0.432 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815144493 586669942 /nfs/dbraw/zinc/66/99/42/586669942.db2.gz DZXHAVQBVIGPSD-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815144493 586669944 /nfs/dbraw/zinc/66/99/44/586669944.db2.gz DZXHAVQBVIGPSD-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144493 586669945 /nfs/dbraw/zinc/66/99/45/586669945.db2.gz DZXHAVQBVIGPSD-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144493 586669946 /nfs/dbraw/zinc/66/99/46/586669946.db2.gz DZXHAVQBVIGPSD-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000819039281 586926787 /nfs/dbraw/zinc/92/67/87/586926787.db2.gz OZMKQWJLANOOMK-CYBMUJFWSA-N 2 2 249.358 0.200 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000819039281 586926789 /nfs/dbraw/zinc/92/67/89/586926789.db2.gz OZMKQWJLANOOMK-CYBMUJFWSA-N 2 2 249.358 0.200 20 30 BCEDLP CCC(=[NH+]NC1=[NH+]CCN1)c1cccc(N)c1 ZINC000841659417 587969519 /nfs/dbraw/zinc/96/95/19/587969519.db2.gz KKCKDHWEDZDTQU-UHFFFAOYSA-N 2 2 231.303 0.932 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000843797832 588141128 /nfs/dbraw/zinc/14/11/28/588141128.db2.gz MTACCROWLPCJDJ-CHWSQXEVSA-N 2 2 249.358 0.104 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000843797832 588141129 /nfs/dbraw/zinc/14/11/29/588141129.db2.gz MTACCROWLPCJDJ-CHWSQXEVSA-N 2 2 249.358 0.104 20 30 BCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000846856863 588293743 /nfs/dbraw/zinc/29/37/43/588293743.db2.gz DMSOPPVGUWSSJJ-FRRDWIJNSA-N 2 2 240.347 0.069 20 30 BCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCO1 ZINC000846856863 588293744 /nfs/dbraw/zinc/29/37/44/588293744.db2.gz DMSOPPVGUWSSJJ-FRRDWIJNSA-N 2 2 240.347 0.069 20 30 BCEDLP C=C(C)CNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040097 588447324 /nfs/dbraw/zinc/44/73/24/588447324.db2.gz KJRIGRLBYFVMQL-UHFFFAOYSA-N 2 2 221.308 0.653 20 30 BCEDLP C#CCOCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000851867335 588636655 /nfs/dbraw/zinc/63/66/55/588636655.db2.gz DSNBJRNEVAAALH-GFCCVEGCSA-N 2 2 233.315 0.859 20 30 BCEDLP C#CCOCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000851867335 588636656 /nfs/dbraw/zinc/63/66/56/588636656.db2.gz DSNBJRNEVAAALH-GFCCVEGCSA-N 2 2 233.315 0.859 20 30 BCEDLP C[N@H+](CC[NH3+])CCc1cccc(C#N)c1 ZINC000866698115 589512960 /nfs/dbraw/zinc/51/29/60/589512960.db2.gz NIJYBIIVBICFNL-UHFFFAOYSA-N 2 2 203.289 0.991 20 30 BCEDLP C[N@@H+](CC[NH3+])CCc1cccc(C#N)c1 ZINC000866698115 589512962 /nfs/dbraw/zinc/51/29/62/589512962.db2.gz NIJYBIIVBICFNL-UHFFFAOYSA-N 2 2 203.289 0.991 20 30 BCEDLP C[C@@H]1C(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC[N@H+]1C ZINC000872359768 589918833 /nfs/dbraw/zinc/91/88/33/589918833.db2.gz ORSTZSFWUNPRIT-JLLWLGSASA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1C(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC[N@@H+]1C ZINC000872359768 589918834 /nfs/dbraw/zinc/91/88/34/589918834.db2.gz ORSTZSFWUNPRIT-JLLWLGSASA-N 2 2 249.362 0.926 20 30 BCEDLP C=CC[C@H](C(=O)OC)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000877981917 590465011 /nfs/dbraw/zinc/46/50/11/590465011.db2.gz BZVRQDZZKPHXJX-GARJFASQSA-N 2 2 224.304 0.255 20 30 BCEDLP C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105121 590495353 /nfs/dbraw/zinc/49/53/53/590495353.db2.gz WNZGCIGILYKRCS-VXGBXAGGSA-N 2 2 240.347 0.988 20 30 BCEDLP C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105121 590495354 /nfs/dbraw/zinc/49/53/54/590495354.db2.gz WNZGCIGILYKRCS-VXGBXAGGSA-N 2 2 240.347 0.988 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569375 590807155 /nfs/dbraw/zinc/80/71/55/590807155.db2.gz OFRFPAQIGFRVPJ-AVGNSLFASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569375 590807156 /nfs/dbraw/zinc/80/71/56/590807156.db2.gz OFRFPAQIGFRVPJ-AVGNSLFASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569375 590807159 /nfs/dbraw/zinc/80/71/59/590807159.db2.gz OFRFPAQIGFRVPJ-AVGNSLFASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569375 590807160 /nfs/dbraw/zinc/80/71/60/590807160.db2.gz OFRFPAQIGFRVPJ-AVGNSLFASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnnn1CC ZINC000883131265 591546367 /nfs/dbraw/zinc/54/63/67/591546367.db2.gz SMKWIKCPZHZBER-UHFFFAOYSA-N 2 2 235.335 0.343 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnnn1CC ZINC000883131265 591546369 /nfs/dbraw/zinc/54/63/69/591546369.db2.gz SMKWIKCPZHZBER-UHFFFAOYSA-N 2 2 235.335 0.343 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C)nc1 ZINC000883131490 591547239 /nfs/dbraw/zinc/54/72/39/591547239.db2.gz FAEQPXFKTVKRJZ-UHFFFAOYSA-N 2 2 232.331 0.830 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C)nc1 ZINC000883131490 591547243 /nfs/dbraw/zinc/54/72/43/591547243.db2.gz FAEQPXFKTVKRJZ-UHFFFAOYSA-N 2 2 232.331 0.830 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000886211158 592177358 /nfs/dbraw/zinc/17/73/58/592177358.db2.gz KFVUYLWVBSUDOF-IHRRRGAJSA-N 2 2 235.375 0.624 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000886211158 592177359 /nfs/dbraw/zinc/17/73/59/592177359.db2.gz KFVUYLWVBSUDOF-IHRRRGAJSA-N 2 2 235.375 0.624 20 30 BCEDLP N#CCCN1CC[NH+]([C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925726676 634523207 /nfs/dbraw/zinc/52/32/07/634523207.db2.gz JVKMMRXRRXZCOJ-QWHCGFSZSA-N 2 2 248.374 0.788 20 30 BCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010383366 635481747 /nfs/dbraw/zinc/48/17/47/635481747.db2.gz VIMAJRGAKHGXIA-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010383366 635481751 /nfs/dbraw/zinc/48/17/51/635481751.db2.gz VIMAJRGAKHGXIA-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010383366 635481755 /nfs/dbraw/zinc/48/17/55/635481755.db2.gz VIMAJRGAKHGXIA-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010383366 635481762 /nfs/dbraw/zinc/48/17/62/635481762.db2.gz VIMAJRGAKHGXIA-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429810 632030810 /nfs/dbraw/zinc/03/08/10/632030810.db2.gz QMTUJWSDJKBRRR-LBPRGKRZSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429810 632030815 /nfs/dbraw/zinc/03/08/15/632030815.db2.gz QMTUJWSDJKBRRR-LBPRGKRZSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613932 632533951 /nfs/dbraw/zinc/53/39/51/632533951.db2.gz GBSFOALFSWVAIU-LLVKDONJSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613932 632533956 /nfs/dbraw/zinc/53/39/56/632533956.db2.gz GBSFOALFSWVAIU-LLVKDONJSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(CO)o1 ZINC000328115684 633732341 /nfs/dbraw/zinc/73/23/41/633732341.db2.gz PDSFYBOKNPJIBA-UHFFFAOYSA-N 2 2 236.315 0.817 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(CO)o1 ZINC000328115684 633732346 /nfs/dbraw/zinc/73/23/46/633732346.db2.gz PDSFYBOKNPJIBA-UHFFFAOYSA-N 2 2 236.315 0.817 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987069304 636622656 /nfs/dbraw/zinc/62/26/56/636622656.db2.gz PLYQIIPSSHUSCD-JQWIXIFHSA-N 2 2 248.330 0.717 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584561 640120770 /nfs/dbraw/zinc/12/07/70/640120770.db2.gz PUWNQFMONBRKIN-LLVKDONJSA-N 2 2 248.330 0.952 20 30 BCEDLP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)CC#N)C[C@@]2(C)C1 ZINC000931313828 640152116 /nfs/dbraw/zinc/15/21/16/640152116.db2.gz GLUUBMHWJRTZJA-JHJVBQTASA-N 2 2 237.347 0.535 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162161 640644616 /nfs/dbraw/zinc/64/46/16/640644616.db2.gz SXSAHKRDSUKRQE-LBPRGKRZSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162161 640644620 /nfs/dbraw/zinc/64/46/20/640644620.db2.gz SXSAHKRDSUKRQE-LBPRGKRZSA-N 2 2 237.347 0.457 20 30 BCEDLP C#C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934511275 641178804 /nfs/dbraw/zinc/17/88/04/641178804.db2.gz LWPCBECMDIWDSM-UONOGXRCSA-N 2 2 236.359 0.931 20 30 BCEDLP C#C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934511275 641178808 /nfs/dbraw/zinc/17/88/08/641178808.db2.gz LWPCBECMDIWDSM-UONOGXRCSA-N 2 2 236.359 0.931 20 30 BCEDLP C=CCCOCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000231798794 641205453 /nfs/dbraw/zinc/20/54/53/641205453.db2.gz WTMPRRWPBRVKCL-CHWSQXEVSA-N 2 2 242.363 0.936 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031260946 641867307 /nfs/dbraw/zinc/86/73/07/641867307.db2.gz YXWOCRKQMWTYPU-GFCCVEGCSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031260946 641867310 /nfs/dbraw/zinc/86/73/10/641867310.db2.gz YXWOCRKQMWTYPU-GFCCVEGCSA-N 2 2 249.358 0.152 20 30 BCEDLP C=C(C)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031390539 642059863 /nfs/dbraw/zinc/05/98/63/642059863.db2.gz QWGSFGKRJPEICY-UHFFFAOYSA-N 2 2 248.330 0.568 20 30 BCEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019564379 643040300 /nfs/dbraw/zinc/04/03/00/643040300.db2.gz MPQYSPLEJUHZHQ-NSHDSACASA-N 2 2 248.330 0.719 20 30 BCEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019867924 643043293 /nfs/dbraw/zinc/04/32/93/643043293.db2.gz QRQJLLKSOMZVHQ-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126889 643404752 /nfs/dbraw/zinc/40/47/52/643404752.db2.gz AMLCYDSVCLPFDG-XYPYZODXSA-N 2 2 234.303 0.306 20 30 BCEDLP C#CC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997056851 643576624 /nfs/dbraw/zinc/57/66/24/643576624.db2.gz YWAVOSWVKGOVNL-UHFFFAOYSA-N 2 2 246.314 0.166 20 30 BCEDLP C=CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997413372 643622107 /nfs/dbraw/zinc/62/21/07/643622107.db2.gz PEDNRQKADAACMK-UHFFFAOYSA-N 2 2 248.330 0.650 20 30 BCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000315858 643776541 /nfs/dbraw/zinc/77/65/41/643776541.db2.gz DJEQOTOJSQDLET-NSHDSACASA-N 2 2 246.314 0.166 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000923299031 644325627 /nfs/dbraw/zinc/32/56/27/644325627.db2.gz WIXXVQWUEXPTQY-WOPDTQHZSA-N 2 2 228.336 0.362 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000923299031 644325631 /nfs/dbraw/zinc/32/56/31/644325631.db2.gz WIXXVQWUEXPTQY-WOPDTQHZSA-N 2 2 228.336 0.362 20 30 BCEDLP C#C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000381466931 710641690 /nfs/dbraw/zinc/64/16/90/710641690.db2.gz MYCYJUSFHJUMFE-CHWSQXEVSA-N 2 2 222.332 0.851 20 30 BCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042545515 710791480 /nfs/dbraw/zinc/79/14/80/710791480.db2.gz DSNHHKFXPQEKRM-CYBMUJFWSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042545515 710791481 /nfs/dbraw/zinc/79/14/81/710791481.db2.gz DSNHHKFXPQEKRM-CYBMUJFWSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027792831 711735447 /nfs/dbraw/zinc/73/54/47/711735447.db2.gz XCDATRGGSRPGBM-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792831 711735451 /nfs/dbraw/zinc/73/54/51/711735451.db2.gz XCDATRGGSRPGBM-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792831 711735453 /nfs/dbraw/zinc/73/54/53/711735453.db2.gz XCDATRGGSRPGBM-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027792828 711735558 /nfs/dbraw/zinc/73/55/58/711735558.db2.gz XCDATRGGSRPGBM-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792828 711735563 /nfs/dbraw/zinc/73/55/63/711735563.db2.gz XCDATRGGSRPGBM-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792828 711735565 /nfs/dbraw/zinc/73/55/65/711735565.db2.gz XCDATRGGSRPGBM-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP CC(=[NH+]NC(N)=[NH2+])c1ccc(N)cc1C ZINC000379980248 712643515 /nfs/dbraw/zinc/64/35/15/712643515.db2.gz SBGAPLKGWVLUQG-UHFFFAOYSA-N 2 2 205.265 0.784 20 30 BCEDLP Cc1cc(N2CC[C@@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000075563213 178117589 /nfs/dbraw/zinc/11/75/89/178117589.db2.gz GSVSVFVRNRQBSZ-SNVBAGLBSA-N 2 2 202.261 0.799 20 30 BCEDLP CC#CC[NH2+]Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640753942 361991445 /nfs/dbraw/zinc/99/14/45/361991445.db2.gz DINDAXOIXZRRPV-UHFFFAOYSA-N 2 2 230.275 0.162 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+]C1CCC(C#N)CC1 ZINC000602617229 349639076 /nfs/dbraw/zinc/63/90/76/349639076.db2.gz BMSHFRXAOSQGNW-UHFFFAOYSA-N 2 2 239.363 0.973 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+]C1CCC(C#N)CC1 ZINC000602617229 349639077 /nfs/dbraw/zinc/63/90/77/349639077.db2.gz BMSHFRXAOSQGNW-UHFFFAOYSA-N 2 2 239.363 0.973 20 30 BCEDLP CC#CC[NH2+]Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952836 362097039 /nfs/dbraw/zinc/09/70/39/362097039.db2.gz JNPNGABRMTYPOQ-UHFFFAOYSA-N 2 2 244.302 0.173 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133610594 343185684 /nfs/dbraw/zinc/18/56/84/343185684.db2.gz DOMNVKLATXAPMP-NXEZZACHSA-N 2 2 211.309 0.100 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133610594 343185686 /nfs/dbraw/zinc/18/56/86/343185686.db2.gz DOMNVKLATXAPMP-NXEZZACHSA-N 2 2 211.309 0.100 20 30 BCEDLP CC#CC[NH2+]Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641038099 362150362 /nfs/dbraw/zinc/15/03/62/362150362.db2.gz KHQAVGLTPZXYOQ-UHFFFAOYSA-N 2 2 244.302 0.173 20 30 BCEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600715705 344362172 /nfs/dbraw/zinc/36/21/72/344362172.db2.gz HPYMFEGQVQTUCT-RYUDHWBXSA-N 2 2 248.330 0.916 20 30 BCEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721261 344363038 /nfs/dbraw/zinc/36/30/38/344363038.db2.gz KPKPKZGJUHISJS-NWDGAFQWSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721261 344363039 /nfs/dbraw/zinc/36/30/39/344363039.db2.gz KPKPKZGJUHISJS-NWDGAFQWSA-N 2 2 237.347 0.725 20 30 BCEDLP C=C(CC)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000358626904 344674251 /nfs/dbraw/zinc/67/42/51/344674251.db2.gz UKVVPKBXPFYUIW-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336776721 347508235 /nfs/dbraw/zinc/50/82/35/347508235.db2.gz GLDYMLILHFOELE-VXGBXAGGSA-N 2 2 225.336 0.582 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336776721 347508237 /nfs/dbraw/zinc/50/82/37/347508237.db2.gz GLDYMLILHFOELE-VXGBXAGGSA-N 2 2 225.336 0.582 20 30 BCEDLP N#Cc1cnccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000592471477 347790092 /nfs/dbraw/zinc/79/00/92/347790092.db2.gz KUZFZJAVWYITOI-JTQLQIEISA-N 2 2 216.288 0.734 20 30 BCEDLP N#Cc1cnccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000592471477 347790093 /nfs/dbraw/zinc/79/00/93/347790093.db2.gz KUZFZJAVWYITOI-JTQLQIEISA-N 2 2 216.288 0.734 20 30 BCEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1O ZINC000594469370 348053823 /nfs/dbraw/zinc/05/38/23/348053823.db2.gz VSRZJBHVCOIEBT-VIFPVBQESA-N 2 2 248.286 0.559 20 30 BCEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)[NH+](C)C ZINC000309006588 323184238 /nfs/dbraw/zinc/18/42/38/323184238.db2.gz QBBRCSMPALWQMG-QWRGUYRKSA-N 2 2 208.309 0.970 20 30 BCEDLP CN(C(=[NH2+])NCCCn1cc[nH+]c1)C1CC1 ZINC000273334485 351518640 /nfs/dbraw/zinc/51/86/40/351518640.db2.gz KSMDEGZQQCLBPE-UHFFFAOYSA-N 2 2 221.308 0.682 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336776719 353480303 /nfs/dbraw/zinc/48/03/03/353480303.db2.gz GLDYMLILHFOELE-NWDGAFQWSA-N 2 2 225.336 0.582 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336776719 353480306 /nfs/dbraw/zinc/48/03/06/353480306.db2.gz GLDYMLILHFOELE-NWDGAFQWSA-N 2 2 225.336 0.582 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000295032554 353796585 /nfs/dbraw/zinc/79/65/85/353796585.db2.gz OSRDFKMXHOLKHJ-LLVKDONJSA-N 2 2 248.330 0.376 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000295032554 353796586 /nfs/dbraw/zinc/79/65/86/353796586.db2.gz OSRDFKMXHOLKHJ-LLVKDONJSA-N 2 2 248.330 0.376 20 30 BCEDLP C=C(C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351612135 356028710 /nfs/dbraw/zinc/02/87/10/356028710.db2.gz URQALSFGGPTRJY-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=C(C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351612135 356028712 /nfs/dbraw/zinc/02/87/12/356028712.db2.gz URQALSFGGPTRJY-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=C(C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351612135 356028715 /nfs/dbraw/zinc/02/87/15/356028715.db2.gz URQALSFGGPTRJY-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=C(C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351612135 356028718 /nfs/dbraw/zinc/02/87/18/356028718.db2.gz URQALSFGGPTRJY-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])C1=O ZINC000420286983 192201110 /nfs/dbraw/zinc/20/11/10/192201110.db2.gz HIVVWGBXWVTPJQ-WDEREUQCSA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])C1=O ZINC000420286983 192201113 /nfs/dbraw/zinc/20/11/13/192201113.db2.gz HIVVWGBXWVTPJQ-WDEREUQCSA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H](C[NH3+])C2CC2)C1=O ZINC000420317857 192213478 /nfs/dbraw/zinc/21/34/78/192213478.db2.gz OYNNLCBKCXCJSQ-NEPJUHHUSA-N 2 2 237.347 0.442 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C[NH3+])C2CC2)C1=O ZINC000420317857 192213480 /nfs/dbraw/zinc/21/34/80/192213480.db2.gz OYNNLCBKCXCJSQ-NEPJUHHUSA-N 2 2 237.347 0.442 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420366265 192226355 /nfs/dbraw/zinc/22/63/55/192226355.db2.gz LZFMRFJLUPUCEI-FIQHERPVSA-N 2 2 239.363 0.653 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)C2CC([NH3+])C2)C1=O ZINC000420323764 192227455 /nfs/dbraw/zinc/22/74/55/192227455.db2.gz BLHACDOAZPRWKZ-ILDUYXDCSA-N 2 2 223.320 0.195 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC([NH3+])C2)C1=O ZINC000420323764 192227456 /nfs/dbraw/zinc/22/74/56/192227456.db2.gz BLHACDOAZPRWKZ-ILDUYXDCSA-N 2 2 223.320 0.195 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356937 192219355 /nfs/dbraw/zinc/21/93/55/192219355.db2.gz DEGZKWLNWDLZME-CYBMUJFWSA-N 2 2 237.347 0.364 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356937 192219358 /nfs/dbraw/zinc/21/93/58/192219358.db2.gz DEGZKWLNWDLZME-CYBMUJFWSA-N 2 2 237.347 0.364 20 30 BCEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677420 358065903 /nfs/dbraw/zinc/06/59/03/358065903.db2.gz FHTAWKSCBXFBMR-DGCLKSJQSA-N 2 2 236.363 0.514 20 30 BCEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677420 358065907 /nfs/dbraw/zinc/06/59/07/358065907.db2.gz FHTAWKSCBXFBMR-DGCLKSJQSA-N 2 2 236.363 0.514 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246432469 359084336 /nfs/dbraw/zinc/08/43/36/359084336.db2.gz VNLIFQQOXLTMPQ-RYUDHWBXSA-N 2 2 239.363 0.561 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246432469 359084338 /nfs/dbraw/zinc/08/43/38/359084338.db2.gz VNLIFQQOXLTMPQ-RYUDHWBXSA-N 2 2 239.363 0.561 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)nn1 ZINC000573316910 364796961 /nfs/dbraw/zinc/79/69/61/364796961.db2.gz NFRRBUBDLNSJID-VIFPVBQESA-N 2 2 221.308 0.162 20 30 BCEDLP C=CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000579609314 366907135 /nfs/dbraw/zinc/90/71/35/366907135.db2.gz UDQZSMXEBVMEMS-UHFFFAOYSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180033471 541507051 /nfs/dbraw/zinc/50/70/51/541507051.db2.gz ZASWJWORFLACRV-GHMZBOCLSA-N 2 2 225.336 0.361 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180033471 541507054 /nfs/dbraw/zinc/50/70/54/541507054.db2.gz ZASWJWORFLACRV-GHMZBOCLSA-N 2 2 225.336 0.361 20 30 BCEDLP C[C@H](CC#N)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000068609981 370821118 /nfs/dbraw/zinc/82/11/18/370821118.db2.gz HJLANRLAWANCIW-LLVKDONJSA-N 2 2 238.335 0.042 20 30 BCEDLP C#CC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000074158332 368831991 /nfs/dbraw/zinc/83/19/91/368831991.db2.gz KMGVUGOGTDRTEA-UHFFFAOYSA-N 2 2 230.315 0.849 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)o1 ZINC000600768269 369562338 /nfs/dbraw/zinc/56/23/38/369562338.db2.gz FFPUHOPWNJBUQF-LLVKDONJSA-N 2 2 221.260 0.229 20 30 BCEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)n3)C[C@@H]2C1 ZINC000602638147 369832304 /nfs/dbraw/zinc/83/23/04/369832304.db2.gz CYVSEOBFBVQAOP-TXEJJXNPSA-N 2 2 242.326 0.947 20 30 BCEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)n3)C[C@@H]2C1 ZINC000602638147 369832310 /nfs/dbraw/zinc/83/23/10/369832310.db2.gz CYVSEOBFBVQAOP-TXEJJXNPSA-N 2 2 242.326 0.947 20 30 BCEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)C[C@@H]2C1 ZINC000602638147 369832316 /nfs/dbraw/zinc/83/23/16/369832316.db2.gz CYVSEOBFBVQAOP-TXEJJXNPSA-N 2 2 242.326 0.947 20 30 BCEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@@H]2C1 ZINC000602638147 369832318 /nfs/dbraw/zinc/83/23/18/369832318.db2.gz CYVSEOBFBVQAOP-TXEJJXNPSA-N 2 2 242.326 0.947 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832406 372616759 /nfs/dbraw/zinc/61/67/59/372616759.db2.gz FKUJUNKRWFAJQP-VXGBXAGGSA-N 2 2 239.363 0.880 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832406 372616762 /nfs/dbraw/zinc/61/67/62/372616762.db2.gz FKUJUNKRWFAJQP-VXGBXAGGSA-N 2 2 239.363 0.880 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849811 384176660 /nfs/dbraw/zinc/17/66/60/384176660.db2.gz ZIGYTJYBIGKZRW-GXTWGEPZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849811 384176665 /nfs/dbraw/zinc/17/66/65/384176665.db2.gz ZIGYTJYBIGKZRW-GXTWGEPZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367849811 384176670 /nfs/dbraw/zinc/17/66/70/384176670.db2.gz ZIGYTJYBIGKZRW-GXTWGEPZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367849811 384176676 /nfs/dbraw/zinc/17/66/76/384176676.db2.gz ZIGYTJYBIGKZRW-GXTWGEPZSA-N 2 2 249.358 0.152 20 30 BCEDLP C=CCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000161476767 384493764 /nfs/dbraw/zinc/49/37/64/384493764.db2.gz MXQPNCQGPMRLRB-UHFFFAOYSA-N 2 2 207.281 0.364 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309734909 384785856 /nfs/dbraw/zinc/78/58/56/384785856.db2.gz CDDXWAWPXVLPRO-WZRBSPASSA-N 2 2 224.348 0.996 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309734909 384785860 /nfs/dbraw/zinc/78/58/60/384785860.db2.gz CDDXWAWPXVLPRO-WZRBSPASSA-N 2 2 224.348 0.996 20 30 BCEDLP C#CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000491453687 384898687 /nfs/dbraw/zinc/89/86/87/384898687.db2.gz SRRXBLPOYASIEK-UHFFFAOYSA-N 2 2 222.332 0.446 20 30 BCEDLP COCC[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000555710233 384972287 /nfs/dbraw/zinc/97/22/87/384972287.db2.gz YYJZUJQPPVVWOI-UHFFFAOYSA-N 2 2 237.347 0.991 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677436 385042234 /nfs/dbraw/zinc/04/22/34/385042234.db2.gz NKYNCBNACWRRLN-RYUDHWBXSA-N 2 2 239.363 0.609 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677436 385042239 /nfs/dbraw/zinc/04/22/39/385042239.db2.gz NKYNCBNACWRRLN-RYUDHWBXSA-N 2 2 239.363 0.609 20 30 BCEDLP C#C[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000491298634 385324597 /nfs/dbraw/zinc/32/45/97/385324597.db2.gz WLLNIKKRPFBLSP-LLVKDONJSA-N 2 2 205.261 0.217 20 30 BCEDLP C#C[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000491298634 385324601 /nfs/dbraw/zinc/32/46/01/385324601.db2.gz WLLNIKKRPFBLSP-LLVKDONJSA-N 2 2 205.261 0.217 20 30 BCEDLP C[C@H]1CCCN(C(=[NH2+])NCCn2cc[nH+]c2)C1 ZINC000263252131 385653597 /nfs/dbraw/zinc/65/35/97/385653597.db2.gz PHJDLCNRGLZVTH-NSHDSACASA-N 2 2 235.335 0.930 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423012889 387835706 /nfs/dbraw/zinc/83/57/06/387835706.db2.gz DZBPRXPPHFRIML-AVGNSLFASA-N 2 2 242.363 0.528 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423012891 387835847 /nfs/dbraw/zinc/83/58/47/387835847.db2.gz DZBPRXPPHFRIML-RWMBFGLXSA-N 2 2 242.363 0.528 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424299381 387958065 /nfs/dbraw/zinc/95/80/65/387958065.db2.gz DWYSVPOCYOBNPG-NXEZZACHSA-N 2 2 211.309 0.148 20 30 BCEDLP CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000195522538 388166333 /nfs/dbraw/zinc/16/63/33/388166333.db2.gz DRFNJXMMNAZMLO-UHFFFAOYSA-N 2 2 207.281 0.418 20 30 BCEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000491385917 388290837 /nfs/dbraw/zinc/29/08/37/388290837.db2.gz STQASXBLCVOBDT-ZDUSSCGKSA-N 2 2 240.347 0.023 20 30 BCEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000491385917 388290838 /nfs/dbraw/zinc/29/08/38/388290838.db2.gz STQASXBLCVOBDT-ZDUSSCGKSA-N 2 2 240.347 0.023 20 30 BCEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000491385917 388290839 /nfs/dbraw/zinc/29/08/39/388290839.db2.gz STQASXBLCVOBDT-ZDUSSCGKSA-N 2 2 240.347 0.023 20 30 BCEDLP C#C[C@H](C)[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000491621390 388305436 /nfs/dbraw/zinc/30/54/36/388305436.db2.gz GGQMYQFOIPAECP-JTQLQIEISA-N 2 2 220.320 0.940 20 30 BCEDLP C#C[C@H](C)[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000491621390 388305437 /nfs/dbraw/zinc/30/54/37/388305437.db2.gz GGQMYQFOIPAECP-JTQLQIEISA-N 2 2 220.320 0.940 20 30 BCEDLP C#CC[NH+]1CCC(c2nc(C[NH3+])no2)CC1 ZINC000491752937 388318044 /nfs/dbraw/zinc/31/80/44/388318044.db2.gz NHVRZMURAFVANO-UHFFFAOYSA-N 2 2 220.276 0.341 20 30 BCEDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000228724285 388387684 /nfs/dbraw/zinc/38/76/84/388387684.db2.gz ULEUNSFZKCTLJH-CQSZACIVSA-N 2 2 247.342 0.960 20 30 BCEDLP CC[C@H](C)NC(=[NH2+])NCc1c[nH+]cn1C ZINC000262415930 135119032 /nfs/dbraw/zinc/11/90/32/135119032.db2.gz YYBNBRVAULKEKJ-QMMMGPOBSA-N 2 2 209.297 0.623 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCc2cn3c([nH+]2)CCCC3)N1 ZINC000262644620 135120720 /nfs/dbraw/zinc/12/07/20/135120720.db2.gz ISVJHADJETWRRO-SECBINFHSA-N 2 2 233.319 0.657 20 30 BCEDLP CN1CC[NH+]=C1NCc1cn2c([nH+]1)CCCC2 ZINC000262679426 135121015 /nfs/dbraw/zinc/12/10/15/135121015.db2.gz VLRPQNKUNPBFLP-UHFFFAOYSA-N 2 2 233.319 0.610 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472780 135142213 /nfs/dbraw/zinc/14/22/13/135142213.db2.gz CYAAAXWRLREJEV-JTQLQIEISA-N 2 2 213.325 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472780 135142214 /nfs/dbraw/zinc/14/22/14/135142214.db2.gz CYAAAXWRLREJEV-JTQLQIEISA-N 2 2 213.325 0.218 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000261562378 135203597 /nfs/dbraw/zinc/20/35/97/135203597.db2.gz BGDFUETZCBEAKU-SNVBAGLBSA-N 2 2 225.336 0.361 20 30 BCEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)NC1CC1 ZINC000261886336 135259587 /nfs/dbraw/zinc/25/95/87/135259587.db2.gz SBJGDWZQAIHYGB-UHFFFAOYSA-N 2 2 247.346 0.829 20 30 BCEDLP C[C@@H]1CCCN(C(=[NH2+])NCc2c[nH+]cn2C)C1 ZINC000262343109 135293700 /nfs/dbraw/zinc/29/37/00/135293700.db2.gz DCFOJIPNPWYTJG-SNVBAGLBSA-N 2 2 235.335 0.967 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCCc2cn3c([nH+]2)CCCC3)N1 ZINC000262625058 135309764 /nfs/dbraw/zinc/30/97/64/135309764.db2.gz DGIYDBPRWAGMIH-SNVBAGLBSA-N 2 2 247.346 0.699 20 30 BCEDLP C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653092931 409692014 /nfs/dbraw/zinc/69/20/14/409692014.db2.gz PWSRKZFBWPEDMB-ZJUUUORDSA-N 2 2 213.325 0.346 20 30 BCEDLP C#CC[NH+](CC)CC1(C[N@H+](CC)CC#C)COC1 ZINC000272828172 166167961 /nfs/dbraw/zinc/16/79/61/166167961.db2.gz QMQIQMSXPLCHHJ-UHFFFAOYSA-N 2 2 248.370 0.913 20 30 BCEDLP C#CC[NH+](CC)CC1(C[N@@H+](CC)CC#C)COC1 ZINC000272828172 166167967 /nfs/dbraw/zinc/16/79/67/166167967.db2.gz QMQIQMSXPLCHHJ-UHFFFAOYSA-N 2 2 248.370 0.913 20 30 BCEDLP CC#CC[NH2+]Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467789 411279112 /nfs/dbraw/zinc/27/91/12/411279112.db2.gz SCKICJGZPNBUOA-LBPRGKRZSA-N 2 2 233.319 0.316 20 30 BCEDLP C=CCN(CC=C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056333 411406830 /nfs/dbraw/zinc/40/68/30/411406830.db2.gz AXNGNONMRIVRLD-NSHDSACASA-N 2 2 225.336 0.466 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000657875491 411615015 /nfs/dbraw/zinc/61/50/15/411615015.db2.gz KYRHTWRHYIRONK-LBPRGKRZSA-N 2 2 249.362 0.907 20 30 BCEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000594425547 411966107 /nfs/dbraw/zinc/96/61/07/411966107.db2.gz KTKFOMJNUWBVPO-SNVBAGLBSA-N 2 2 247.302 1.014 20 30 BCEDLP C=CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662298932 412087470 /nfs/dbraw/zinc/08/74/70/412087470.db2.gz HQBOKFSYDWFSKK-RYUDHWBXSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662298932 412087475 /nfs/dbraw/zinc/08/74/75/412087475.db2.gz HQBOKFSYDWFSKK-RYUDHWBXSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CCOCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665263794 412207487 /nfs/dbraw/zinc/20/74/87/412207487.db2.gz UVIFZIATKOCKOH-STQMWFEESA-N 2 2 242.363 0.936 20 30 BCEDLP C=CC[C@]1(C(=O)NCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662664576 412263272 /nfs/dbraw/zinc/26/32/72/412263272.db2.gz SMHKEZLQHKKECS-CYBMUJFWSA-N 2 2 248.330 0.698 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)nn1 ZINC000566103822 325995509 /nfs/dbraw/zinc/99/55/09/325995509.db2.gz NCTPOOMRRODBHP-DGCLKSJQSA-N 2 2 249.362 0.942 20 30 BCEDLP C=C(CC)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685747 491090542 /nfs/dbraw/zinc/09/05/42/491090542.db2.gz LDJFFYLFKSOLBI-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP CC[NH+]=C(NCC[NH+]1CCC1)NC(C)C ZINC000261667391 535261788 /nfs/dbraw/zinc/26/17/88/535261788.db2.gz IUKVWBXTFXVIKX-UHFFFAOYSA-N 2 2 212.341 0.656 20 30 BCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)NC1CC1 ZINC000262950621 535262288 /nfs/dbraw/zinc/26/22/88/535262288.db2.gz BVWSLYUWSPAJOX-UHFFFAOYSA-N 2 2 221.308 0.601 20 30 BCEDLP CC(C)CCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303980982 535385083 /nfs/dbraw/zinc/38/50/83/535385083.db2.gz ONMGQHBFMCYSBR-NSHDSACASA-N 2 2 242.367 0.267 20 30 BCEDLP CC(C)CCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303980982 535385084 /nfs/dbraw/zinc/38/50/84/535385084.db2.gz ONMGQHBFMCYSBR-NSHDSACASA-N 2 2 242.367 0.267 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854664534 588800042 /nfs/dbraw/zinc/80/00/42/588800042.db2.gz WESKBBZZCFGTPU-UHFFFAOYSA-N 2 2 234.303 0.024 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854664534 588800043 /nfs/dbraw/zinc/80/00/43/588800043.db2.gz WESKBBZZCFGTPU-UHFFFAOYSA-N 2 2 234.303 0.024 20 30 BCEDLP CC#CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415401 588832035 /nfs/dbraw/zinc/83/20/35/588832035.db2.gz XMAZHRNBNNCOIC-UHFFFAOYSA-N 2 2 225.336 0.009 20 30 BCEDLP CC#CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415401 588832036 /nfs/dbraw/zinc/83/20/36/588832036.db2.gz XMAZHRNBNNCOIC-UHFFFAOYSA-N 2 2 225.336 0.009 20 30 BCEDLP C#CCC[NH+]1CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000892316401 582839372 /nfs/dbraw/zinc/83/93/72/582839372.db2.gz YRVAKOPCSZVUQB-UHFFFAOYSA-N 2 2 245.330 0.664 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888359 588921444 /nfs/dbraw/zinc/92/14/44/588921444.db2.gz YSVJPYYJFPDQHT-JTQLQIEISA-N 2 2 234.303 0.042 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646493 584335303 /nfs/dbraw/zinc/33/53/03/584335303.db2.gz DPRVUODEVGYNMO-UHFFFAOYSA-N 2 2 236.319 0.576 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903464983 584779244 /nfs/dbraw/zinc/77/92/44/584779244.db2.gz COLVGYWCEZYZLL-SNVBAGLBSA-N 2 2 223.320 0.163 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000748569425 585194149 /nfs/dbraw/zinc/19/41/49/585194149.db2.gz BLQQOWSOOGHFRX-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000748569425 585194150 /nfs/dbraw/zinc/19/41/50/585194150.db2.gz BLQQOWSOOGHFRX-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000764480163 585466503 /nfs/dbraw/zinc/46/65/03/585466503.db2.gz FGDHRHHHCBRYPY-UHFFFAOYSA-N 2 2 222.332 0.806 20 30 BCEDLP C#CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000764480163 585466504 /nfs/dbraw/zinc/46/65/04/585466504.db2.gz FGDHRHHHCBRYPY-UHFFFAOYSA-N 2 2 222.332 0.806 20 30 BCEDLP C#CCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000766894517 585509344 /nfs/dbraw/zinc/50/93/44/585509344.db2.gz CYWVACMRJQOXLT-UHFFFAOYSA-N 2 2 237.347 0.106 20 30 BCEDLP C#CCC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000776592802 585702492 /nfs/dbraw/zinc/70/24/92/585702492.db2.gz AHIFHJRRZMSYDB-UHFFFAOYSA-N 2 2 232.331 0.561 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC(=C)C)CC1 ZINC000778231643 585728512 /nfs/dbraw/zinc/72/85/12/585728512.db2.gz NAPIHXIFXQLISL-UHFFFAOYSA-N 2 2 249.358 0.272 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(=C)C)CC1 ZINC000778231643 585728513 /nfs/dbraw/zinc/72/85/13/585728513.db2.gz NAPIHXIFXQLISL-UHFFFAOYSA-N 2 2 249.358 0.272 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@H](O)C[NH+]1CCCC1 ZINC000792406661 586000496 /nfs/dbraw/zinc/00/04/96/586000496.db2.gz JWXGFQDYUTXYFI-ZDUSSCGKSA-N 2 2 242.363 0.578 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@H](O)C[NH+]1CCCC1 ZINC000792406661 586000497 /nfs/dbraw/zinc/00/04/97/586000497.db2.gz JWXGFQDYUTXYFI-ZDUSSCGKSA-N 2 2 242.363 0.578 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815144494 586669252 /nfs/dbraw/zinc/66/92/52/586669252.db2.gz DZXHAVQBVIGPSD-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815144494 586669255 /nfs/dbraw/zinc/66/92/55/586669255.db2.gz DZXHAVQBVIGPSD-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144494 586669257 /nfs/dbraw/zinc/66/92/57/586669257.db2.gz DZXHAVQBVIGPSD-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144494 586669258 /nfs/dbraw/zinc/66/92/58/586669258.db2.gz DZXHAVQBVIGPSD-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819783772 586994648 /nfs/dbraw/zinc/99/46/48/586994648.db2.gz UUOSJQMSLRRJHM-QMMMGPOBSA-N 2 2 227.333 0.712 20 30 BCEDLP C[C@@H](O)CN(C)[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000841649527 587966726 /nfs/dbraw/zinc/96/67/26/587966726.db2.gz CRAOFGMDWJEFSH-SNVBAGLBSA-N 2 2 236.319 0.794 20 30 BCEDLP C[NH+]=C(NCC[NH+]1CCC1)NCc1ccco1 ZINC000848986642 588425801 /nfs/dbraw/zinc/42/58/01/588425801.db2.gz OQCLXAIIWCJXRN-UHFFFAOYSA-N 2 2 236.319 0.650 20 30 BCEDLP C=CCNC(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000848995511 588428690 /nfs/dbraw/zinc/42/86/90/588428690.db2.gz NNPOTISCJRGAAL-UHFFFAOYSA-N 2 2 221.308 0.963 20 30 BCEDLP C=CCNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040116 588447054 /nfs/dbraw/zinc/44/70/54/588447054.db2.gz LLHMEPKUJPNBML-UHFFFAOYSA-N 2 2 207.281 0.263 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851988715 588652354 /nfs/dbraw/zinc/65/23/54/588652354.db2.gz CLZFXPHLRSNAHV-NWDGAFQWSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000851988715 588652355 /nfs/dbraw/zinc/65/23/55/588652355.db2.gz CLZFXPHLRSNAHV-NWDGAFQWSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000851988715 588652356 /nfs/dbraw/zinc/65/23/56/588652356.db2.gz CLZFXPHLRSNAHV-NWDGAFQWSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000851988715 588652357 /nfs/dbraw/zinc/65/23/57/588652357.db2.gz CLZFXPHLRSNAHV-NWDGAFQWSA-N 2 2 212.337 0.641 20 30 BCEDLP C#CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852104800 588663607 /nfs/dbraw/zinc/66/36/07/588663607.db2.gz OBBPZIKDHKXAEN-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852104800 588663608 /nfs/dbraw/zinc/66/36/08/588663608.db2.gz OBBPZIKDHKXAEN-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852104800 588663609 /nfs/dbraw/zinc/66/36/09/588663609.db2.gz OBBPZIKDHKXAEN-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852104800 588663610 /nfs/dbraw/zinc/66/36/10/588663610.db2.gz OBBPZIKDHKXAEN-AWEZNQCLSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852710130 588697094 /nfs/dbraw/zinc/69/70/94/588697094.db2.gz KXYVMRIIFBCLRK-LBPRGKRZSA-N 2 2 208.305 0.151 20 30 BCEDLP C#CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852710130 588697095 /nfs/dbraw/zinc/69/70/95/588697095.db2.gz KXYVMRIIFBCLRK-LBPRGKRZSA-N 2 2 208.305 0.151 20 30 BCEDLP NC(=[NH2+])N=NC1CCc2ccc[nH+]c2CC1 ZINC000872341604 589915254 /nfs/dbraw/zinc/91/52/54/589915254.db2.gz VLGFDZNTWPTFOD-UHFFFAOYSA-N 2 2 217.276 0.799 20 30 BCEDLP C[C@@H]1C(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC[N@@H+]1C ZINC000872359770 589918414 /nfs/dbraw/zinc/91/84/14/589918414.db2.gz ORSTZSFWUNPRIT-YUSALJHKSA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1C(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC[N@H+]1C ZINC000872359770 589918417 /nfs/dbraw/zinc/91/84/17/589918417.db2.gz ORSTZSFWUNPRIT-YUSALJHKSA-N 2 2 249.362 0.926 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882486721 591362945 /nfs/dbraw/zinc/36/29/45/591362945.db2.gz VDHZOJZEDNAYAM-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882486721 591362947 /nfs/dbraw/zinc/36/29/47/591362947.db2.gz VDHZOJZEDNAYAM-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC ZINC000882486721 591362950 /nfs/dbraw/zinc/36/29/50/591362950.db2.gz VDHZOJZEDNAYAM-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC ZINC000882486721 591362954 /nfs/dbraw/zinc/36/29/54/591362954.db2.gz VDHZOJZEDNAYAM-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1[nH]ncc1C ZINC000883131211 591546435 /nfs/dbraw/zinc/54/64/35/591546435.db2.gz ORYOKBFMEYJRBW-UHFFFAOYSA-N 2 2 220.320 0.763 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1[nH]ncc1C ZINC000883131211 591546439 /nfs/dbraw/zinc/54/64/39/591546439.db2.gz ORYOKBFMEYJRBW-UHFFFAOYSA-N 2 2 220.320 0.763 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1n[nH]cc1C ZINC000883131211 591546441 /nfs/dbraw/zinc/54/64/41/591546441.db2.gz ORYOKBFMEYJRBW-UHFFFAOYSA-N 2 2 220.320 0.763 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1n[nH]cc1C ZINC000883131211 591546444 /nfs/dbraw/zinc/54/64/44/591546444.db2.gz ORYOKBFMEYJRBW-UHFFFAOYSA-N 2 2 220.320 0.763 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncnc1OC ZINC000883131042 591546819 /nfs/dbraw/zinc/54/68/19/591546819.db2.gz DAQIWDSQMSCSQH-UHFFFAOYSA-N 2 2 248.330 0.530 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncnc1OC ZINC000883131042 591546821 /nfs/dbraw/zinc/54/68/21/591546821.db2.gz DAQIWDSQMSCSQH-UHFFFAOYSA-N 2 2 248.330 0.530 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000886211157 592177364 /nfs/dbraw/zinc/17/73/64/592177364.db2.gz KFVUYLWVBSUDOF-HZSPNIEDSA-N 2 2 235.375 0.624 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000886211157 592177365 /nfs/dbraw/zinc/17/73/65/592177365.db2.gz KFVUYLWVBSUDOF-HZSPNIEDSA-N 2 2 235.375 0.624 20 30 BCEDLP [NH2+]=C(NCCCn1cc[nH+]c1)NCC1CCC1 ZINC000104152611 592602026 /nfs/dbraw/zinc/60/20/26/592602026.db2.gz YGSAQUKUHSUOPW-UHFFFAOYSA-N 2 2 235.335 0.978 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103700 592680547 /nfs/dbraw/zinc/68/05/47/592680547.db2.gz PDGCCDPJOGBZAN-UHFFFAOYSA-N 2 2 236.319 0.544 20 30 BCEDLP C#C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000309533053 633188574 /nfs/dbraw/zinc/18/85/74/633188574.db2.gz DMAPIIHQQNXYLG-NWDGAFQWSA-N 2 2 219.288 0.654 20 30 BCEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833038 635281461 /nfs/dbraw/zinc/28/14/61/635281461.db2.gz AZASTOLATIRXGC-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980833038 635281502 /nfs/dbraw/zinc/28/15/02/635281502.db2.gz AZASTOLATIRXGC-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833038 635281508 /nfs/dbraw/zinc/28/15/08/635281508.db2.gz AZASTOLATIRXGC-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833038 635281514 /nfs/dbraw/zinc/28/15/14/635281514.db2.gz AZASTOLATIRXGC-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987062242 636622329 /nfs/dbraw/zinc/62/23/29/636622329.db2.gz BDKFPUXLQDKSOG-ZYHUDNBSSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987069305 636622388 /nfs/dbraw/zinc/62/23/88/636622388.db2.gz PLYQIIPSSHUSCD-PWSUYJOCSA-N 2 2 248.330 0.717 20 30 BCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853062 636884817 /nfs/dbraw/zinc/88/48/17/636884817.db2.gz FBPFPPZFWOTOIE-NEPJUHHUSA-N 2 2 246.314 0.095 20 30 BCEDLP C#CC[NH+]1CCC(c2nc(C3([NH3+])CC3)no2)CC1 ZINC000905325768 637757157 /nfs/dbraw/zinc/75/71/57/637757157.db2.gz XZFNYHOMJQMOOK-UHFFFAOYSA-N 2 2 246.314 0.830 20 30 BCEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930576539 639812896 /nfs/dbraw/zinc/81/28/96/639812896.db2.gz DSZHXSIJFBYGTR-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930576539 639812897 /nfs/dbraw/zinc/81/28/97/639812897.db2.gz DSZHXSIJFBYGTR-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)CC#N)C2)C1 ZINC000930576539 639812898 /nfs/dbraw/zinc/81/28/98/639812898.db2.gz DSZHXSIJFBYGTR-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)CC#N)C2)C1 ZINC000930576539 639812899 /nfs/dbraw/zinc/81/28/99/639812899.db2.gz DSZHXSIJFBYGTR-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930576540 639813020 /nfs/dbraw/zinc/81/30/20/639813020.db2.gz DSZHXSIJFBYGTR-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930576540 639813021 /nfs/dbraw/zinc/81/30/21/639813021.db2.gz DSZHXSIJFBYGTR-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)CC#N)C2)C1 ZINC000930576540 639813022 /nfs/dbraw/zinc/81/30/22/639813022.db2.gz DSZHXSIJFBYGTR-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)CC#N)C2)C1 ZINC000930576540 639813023 /nfs/dbraw/zinc/81/30/23/639813023.db2.gz DSZHXSIJFBYGTR-OLZOCXBDSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC#N)C2 ZINC000930602715 639817060 /nfs/dbraw/zinc/81/70/60/639817060.db2.gz YFKKUYGZDIPSAD-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC#N)C2 ZINC000930602715 639817061 /nfs/dbraw/zinc/81/70/61/639817061.db2.gz YFKKUYGZDIPSAD-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)CC#N)C2 ZINC000930602715 639817062 /nfs/dbraw/zinc/81/70/62/639817062.db2.gz YFKKUYGZDIPSAD-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)CC#N)C2 ZINC000930602715 639817063 /nfs/dbraw/zinc/81/70/63/639817063.db2.gz YFKKUYGZDIPSAD-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C#CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280544 640134929 /nfs/dbraw/zinc/13/49/29/640134929.db2.gz HABSLSUTSZYSNI-GDNZZTSVSA-N 2 2 208.305 0.128 20 30 BCEDLP C#CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280544 640134934 /nfs/dbraw/zinc/13/49/34/640134934.db2.gz HABSLSUTSZYSNI-GDNZZTSVSA-N 2 2 208.305 0.128 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030684037 641206221 /nfs/dbraw/zinc/20/62/21/641206221.db2.gz JCVDJRSCBMXGBV-UHFFFAOYSA-N 2 2 246.314 0.015 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030959455 641524405 /nfs/dbraw/zinc/52/44/05/641524405.db2.gz HUZIBAHXQKUZTK-GFCCVEGCSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030959455 641524409 /nfs/dbraw/zinc/52/44/09/641524409.db2.gz HUZIBAHXQKUZTK-GFCCVEGCSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000732306489 641828796 /nfs/dbraw/zinc/82/87/96/641828796.db2.gz XKQFVDKRJIOCGY-ZDUSSCGKSA-N 2 2 249.358 0.296 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000732306489 641828800 /nfs/dbraw/zinc/82/88/00/641828800.db2.gz XKQFVDKRJIOCGY-ZDUSSCGKSA-N 2 2 249.358 0.296 20 30 BCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016396539 642954159 /nfs/dbraw/zinc/95/41/59/642954159.db2.gz DNNYVEBIOLOGCE-GFCCVEGCSA-N 2 2 246.314 0.097 20 30 BCEDLP CN(C(=[NH2+])NCC[N@@H+]1CCCOCC1)C1CC1 ZINC000187856237 643393377 /nfs/dbraw/zinc/39/33/77/643393377.db2.gz ZSWOVIVVDYWUSA-UHFFFAOYSA-N 2 2 240.351 0.118 20 30 BCEDLP CN(C(=[NH2+])NCC[N@H+]1CCCOCC1)C1CC1 ZINC000187856237 643393381 /nfs/dbraw/zinc/39/33/81/643393381.db2.gz ZSWOVIVVDYWUSA-UHFFFAOYSA-N 2 2 240.351 0.118 20 30 BCEDLP C=CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000317084 643776080 /nfs/dbraw/zinc/77/60/80/643776080.db2.gz IIGKJDJYBJBIKH-NSHDSACASA-N 2 2 248.330 0.719 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426375 644420443 /nfs/dbraw/zinc/42/04/43/644420443.db2.gz TTXARFVIWOTKBO-NEPJUHHUSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426375 644420447 /nfs/dbraw/zinc/42/04/47/644420447.db2.gz TTXARFVIWOTKBO-NEPJUHHUSA-N 2 2 212.337 0.997 20 30 BCEDLP CN1CCc2cc(C=[NH+]NC(N)=[NH2+])ccc21 ZINC000252664818 644873737 /nfs/dbraw/zinc/87/37/37/644873737.db2.gz PONJSFCUHYHBDU-UHFFFAOYSA-N 2 2 217.276 0.496 20 30 BCEDLP CNC(NCCc1cn2cccc(C)c2[nH+]1)=[NH+]C ZINC000304504577 644912273 /nfs/dbraw/zinc/91/22/73/644912273.db2.gz RSTXESNVMZGGTC-UHFFFAOYSA-N 2 2 245.330 0.980 20 30 BCEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929751261 646283148 /nfs/dbraw/zinc/28/31/48/646283148.db2.gz YSIPVKJBMAVLOL-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000929751261 646283151 /nfs/dbraw/zinc/28/31/51/646283151.db2.gz YSIPVKJBMAVLOL-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782379 646308384 /nfs/dbraw/zinc/30/83/84/646308384.db2.gz MGUQEWDNFVITTD-IJLUTSLNSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1C ZINC000929782379 646308387 /nfs/dbraw/zinc/30/83/87/646308387.db2.gz MGUQEWDNFVITTD-IJLUTSLNSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782379 646308390 /nfs/dbraw/zinc/30/83/90/646308390.db2.gz MGUQEWDNFVITTD-IJLUTSLNSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782379 646308396 /nfs/dbraw/zinc/30/83/96/646308396.db2.gz MGUQEWDNFVITTD-IJLUTSLNSA-N 2 2 225.336 0.675 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925712044 646436416 /nfs/dbraw/zinc/43/64/16/646436416.db2.gz ZKPRAAHASUODPJ-SRVKXCTJSA-N 2 2 226.320 0.156 20 30 BCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038119353 711801335 /nfs/dbraw/zinc/80/13/35/711801335.db2.gz VVDGMGNQHBTILJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038119353 711801336 /nfs/dbraw/zinc/80/13/36/711801336.db2.gz VVDGMGNQHBTILJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038119353 711801337 /nfs/dbraw/zinc/80/13/37/711801337.db2.gz VVDGMGNQHBTILJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038119353 711801338 /nfs/dbraw/zinc/80/13/38/711801338.db2.gz VVDGMGNQHBTILJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939857412 711893555 /nfs/dbraw/zinc/89/35/55/711893555.db2.gz SILDBCPXNNXYJF-VXGBXAGGSA-N 2 2 248.330 0.506 20 30 BCEDLP C#CC1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000708134564 712182580 /nfs/dbraw/zinc/18/25/80/712182580.db2.gz RCUNYTJQJKAZFU-UHFFFAOYSA-N 2 2 233.315 0.733 20 30 BCEDLP Cn1ncc2c1nc[nH+]c2NCC#CC[NH+](C)C ZINC000717627228 712661719 /nfs/dbraw/zinc/66/17/19/712661719.db2.gz PJZIQUXKASBFEF-UHFFFAOYSA-N 2 2 244.302 0.340 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601392 136222435 /nfs/dbraw/zinc/22/24/35/136222435.db2.gz NKYNCBNACWRRLN-NWDGAFQWSA-N 2 2 239.363 0.609 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601392 136222436 /nfs/dbraw/zinc/22/24/36/136222436.db2.gz NKYNCBNACWRRLN-NWDGAFQWSA-N 2 2 239.363 0.609 20 30 BCEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000602545123 349588885 /nfs/dbraw/zinc/58/88/85/349588885.db2.gz MVBJOXYWXDWJKK-STQMWFEESA-N 2 2 238.379 0.762 20 30 BCEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000602545123 349588887 /nfs/dbraw/zinc/58/88/87/349588887.db2.gz MVBJOXYWXDWJKK-STQMWFEESA-N 2 2 238.379 0.762 20 30 BCEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000602545099 349588961 /nfs/dbraw/zinc/58/89/61/349588961.db2.gz MVBJOXYWXDWJKK-CHWSQXEVSA-N 2 2 238.379 0.762 20 30 BCEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000602545099 349588965 /nfs/dbraw/zinc/58/89/65/349588965.db2.gz MVBJOXYWXDWJKK-CHWSQXEVSA-N 2 2 238.379 0.762 20 30 BCEDLP Cc1cc(NC[C@@H]2C[NH2+]CCCO2)c(C#N)c[nH+]1 ZINC000333333669 398316794 /nfs/dbraw/zinc/31/67/94/398316794.db2.gz WSNWIPLRHWUASX-LBPRGKRZSA-N 2 2 246.314 0.474 20 30 BCEDLP C=CCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561200072 398338204 /nfs/dbraw/zinc/33/82/04/398338204.db2.gz YQQZPEFYOHEWRD-LLVKDONJSA-N 2 2 240.351 0.237 20 30 BCEDLP C=CCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561200072 398338205 /nfs/dbraw/zinc/33/82/05/398338205.db2.gz YQQZPEFYOHEWRD-LLVKDONJSA-N 2 2 240.351 0.237 20 30 BCEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000602728970 349717023 /nfs/dbraw/zinc/71/70/23/349717023.db2.gz FVHGDKBHUQOAGW-RYUDHWBXSA-N 2 2 225.336 0.582 20 30 BCEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000602728970 349717025 /nfs/dbraw/zinc/71/70/25/349717025.db2.gz FVHGDKBHUQOAGW-RYUDHWBXSA-N 2 2 225.336 0.582 20 30 BCEDLP C[C@H](C#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600729054 344364055 /nfs/dbraw/zinc/36/40/55/344364055.db2.gz WKSNRWXYIKDURL-GHMZBOCLSA-N 2 2 211.309 0.192 20 30 BCEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000236759483 537922298 /nfs/dbraw/zinc/92/22/98/537922298.db2.gz XZSJOIBEIPKJEO-UHFFFAOYSA-N 2 2 239.363 0.753 20 30 BCEDLP C#CC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000192230199 346075739 /nfs/dbraw/zinc/07/57/39/346075739.db2.gz RQRHJSQOYLDKCJ-LBPRGKRZSA-N 2 2 237.347 0.104 20 30 BCEDLP C#CC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000192230199 346075742 /nfs/dbraw/zinc/07/57/42/346075742.db2.gz RQRHJSQOYLDKCJ-LBPRGKRZSA-N 2 2 237.347 0.104 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641807709 362766384 /nfs/dbraw/zinc/76/63/84/362766384.db2.gz JEXYNSRZTSOUFE-TUAOUCFPSA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641807709 362766386 /nfs/dbraw/zinc/76/63/86/362766386.db2.gz JEXYNSRZTSOUFE-TUAOUCFPSA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641807711 362766635 /nfs/dbraw/zinc/76/66/35/362766635.db2.gz JEXYNSRZTSOUFE-WOPDTQHZSA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641807711 362766641 /nfs/dbraw/zinc/76/66/41/362766641.db2.gz JEXYNSRZTSOUFE-WOPDTQHZSA-N 2 2 239.363 0.736 20 30 BCEDLP N#CC[C@]1(O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000597155446 348666191 /nfs/dbraw/zinc/66/61/91/348666191.db2.gz IJTKIQVFMGHFNA-ZDUSSCGKSA-N 2 2 246.314 0.680 20 30 BCEDLP N#CC[C@]1(O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000597155446 348666193 /nfs/dbraw/zinc/66/61/93/348666193.db2.gz IJTKIQVFMGHFNA-ZDUSSCGKSA-N 2 2 246.314 0.680 20 30 BCEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599085278 349089709 /nfs/dbraw/zinc/08/97/09/349089709.db2.gz OIPFYQZLTIEGGD-GRYCIOLGSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599085278 349089710 /nfs/dbraw/zinc/08/97/10/349089710.db2.gz OIPFYQZLTIEGGD-GRYCIOLGSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599085281 349089792 /nfs/dbraw/zinc/08/97/92/349089792.db2.gz OIPFYQZLTIEGGD-SDDRHHMPSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599085281 349089795 /nfs/dbraw/zinc/08/97/95/349089795.db2.gz OIPFYQZLTIEGGD-SDDRHHMPSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599084389 349097298 /nfs/dbraw/zinc/09/72/98/349097298.db2.gz BZWOVGWMJZIRRO-FRRDWIJNSA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599084389 349097299 /nfs/dbraw/zinc/09/72/99/349097299.db2.gz BZWOVGWMJZIRRO-FRRDWIJNSA-N 2 2 237.347 0.725 20 30 BCEDLP CC#CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336686910 350443218 /nfs/dbraw/zinc/44/32/18/350443218.db2.gz WXWFMLWUZHSKAL-UHFFFAOYSA-N 2 2 218.304 0.551 20 30 BCEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000304214536 350648686 /nfs/dbraw/zinc/64/86/86/350648686.db2.gz JCQPUFAKAHNVPS-GFCCVEGCSA-N 2 2 240.347 0.988 20 30 BCEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397714815 350965332 /nfs/dbraw/zinc/96/53/32/350965332.db2.gz QHAKMNGCHIGZBF-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397714815 350965335 /nfs/dbraw/zinc/96/53/35/350965335.db2.gz QHAKMNGCHIGZBF-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397714815 350965339 /nfs/dbraw/zinc/96/53/39/350965339.db2.gz QHAKMNGCHIGZBF-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397714815 350965344 /nfs/dbraw/zinc/96/53/44/350965344.db2.gz QHAKMNGCHIGZBF-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CN(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1C ZINC000331072240 353215712 /nfs/dbraw/zinc/21/57/12/353215712.db2.gz SZRCCZQOHNGKHZ-UHFFFAOYSA-N 2 2 239.323 0.328 20 30 BCEDLP N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331001316 353210402 /nfs/dbraw/zinc/21/04/02/353210402.db2.gz QMZRDSPPGZAZRW-SNVBAGLBSA-N 2 2 247.302 0.229 20 30 BCEDLP N#CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331001316 353210404 /nfs/dbraw/zinc/21/04/04/353210404.db2.gz QMZRDSPPGZAZRW-SNVBAGLBSA-N 2 2 247.302 0.229 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799960 353262849 /nfs/dbraw/zinc/26/28/49/353262849.db2.gz KAXLSADFIMMHJY-WDEREUQCSA-N 2 2 225.336 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799960 353262852 /nfs/dbraw/zinc/26/28/52/353262852.db2.gz KAXLSADFIMMHJY-WDEREUQCSA-N 2 2 225.336 0.218 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799964 353262860 /nfs/dbraw/zinc/26/28/60/353262860.db2.gz KAXLSADFIMMHJY-GHMZBOCLSA-N 2 2 225.336 0.218 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799964 353262864 /nfs/dbraw/zinc/26/28/64/353262864.db2.gz KAXLSADFIMMHJY-GHMZBOCLSA-N 2 2 225.336 0.218 20 30 BCEDLP CC[NH+]1CCC([N@H+](C)CC(=O)NCC#N)CC1 ZINC000077249254 353353321 /nfs/dbraw/zinc/35/33/21/353353321.db2.gz WQJKYIOVIPCRHK-UHFFFAOYSA-N 2 2 238.335 0.042 20 30 BCEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCC#N)CC1 ZINC000077249254 353353323 /nfs/dbraw/zinc/35/33/23/353353323.db2.gz WQJKYIOVIPCRHK-UHFFFAOYSA-N 2 2 238.335 0.042 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000334588081 354214439 /nfs/dbraw/zinc/21/44/39/354214439.db2.gz RDZLOZZRMIQBCM-NSHDSACASA-N 2 2 223.320 0.069 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000334588081 354214441 /nfs/dbraw/zinc/21/44/41/354214441.db2.gz RDZLOZZRMIQBCM-NSHDSACASA-N 2 2 223.320 0.069 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000420286981 192201080 /nfs/dbraw/zinc/20/10/80/192201080.db2.gz HIVVWGBXWVTPJQ-MNOVXSKESA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000420286981 192201083 /nfs/dbraw/zinc/20/10/83/192201083.db2.gz HIVVWGBXWVTPJQ-MNOVXSKESA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000420286980 192201147 /nfs/dbraw/zinc/20/11/47/192201147.db2.gz HIVVWGBXWVTPJQ-GHMZBOCLSA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000420286980 192201150 /nfs/dbraw/zinc/20/11/50/192201150.db2.gz HIVVWGBXWVTPJQ-GHMZBOCLSA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)[C@H](C[NH3+])C2CC2)C1=O ZINC000420317858 192213007 /nfs/dbraw/zinc/21/30/07/192213007.db2.gz OYNNLCBKCXCJSQ-NWDGAFQWSA-N 2 2 237.347 0.442 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H](C[NH3+])C2CC2)C1=O ZINC000420317858 192213009 /nfs/dbraw/zinc/21/30/09/192213009.db2.gz OYNNLCBKCXCJSQ-NWDGAFQWSA-N 2 2 237.347 0.442 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000420324345 192228478 /nfs/dbraw/zinc/22/84/78/192228478.db2.gz ZKZLOPWIGHAANO-AGIUHOORSA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000420324345 192228481 /nfs/dbraw/zinc/22/84/81/192228481.db2.gz ZKZLOPWIGHAANO-AGIUHOORSA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@@](C)(C[NH3+])C(C)C)C1=O ZINC000420326764 192229889 /nfs/dbraw/zinc/22/98/89/192229889.db2.gz XPUZPBGNFOSDIV-AAEUAGOBSA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356939 192219374 /nfs/dbraw/zinc/21/93/74/192219374.db2.gz DEGZKWLNWDLZME-ZDUSSCGKSA-N 2 2 237.347 0.364 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356939 192219377 /nfs/dbraw/zinc/21/93/77/192219377.db2.gz DEGZKWLNWDLZME-ZDUSSCGKSA-N 2 2 237.347 0.364 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420365174 192223329 /nfs/dbraw/zinc/22/33/29/192223329.db2.gz KWOAFWRYGBCFGF-JBLDHEPKSA-N 2 2 225.336 0.265 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364916 192224350 /nfs/dbraw/zinc/22/43/50/192224350.db2.gz PNQJLNCUSKQATP-WDEREUQCSA-N 2 2 239.363 0.736 20 30 BCEDLP COCC#CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761726 356679333 /nfs/dbraw/zinc/67/93/33/356679333.db2.gz DLEVACVSWKRKPF-CYBMUJFWSA-N 2 2 240.347 0.025 20 30 BCEDLP COCC#CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761726 356679335 /nfs/dbraw/zinc/67/93/35/356679335.db2.gz DLEVACVSWKRKPF-CYBMUJFWSA-N 2 2 240.347 0.025 20 30 BCEDLP CC#CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765342 356692104 /nfs/dbraw/zinc/69/21/04/356692104.db2.gz IMWKDQYMZVXYNK-LBPRGKRZSA-N 2 2 210.321 0.398 20 30 BCEDLP CC#CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765342 356692106 /nfs/dbraw/zinc/69/21/06/356692106.db2.gz IMWKDQYMZVXYNK-LBPRGKRZSA-N 2 2 210.321 0.398 20 30 BCEDLP CC#CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765340 356692278 /nfs/dbraw/zinc/69/22/78/356692278.db2.gz IMWKDQYMZVXYNK-GFCCVEGCSA-N 2 2 210.321 0.398 20 30 BCEDLP CC#CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765340 356692283 /nfs/dbraw/zinc/69/22/83/356692283.db2.gz IMWKDQYMZVXYNK-GFCCVEGCSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000362482396 356946184 /nfs/dbraw/zinc/94/61/84/356946184.db2.gz AWFVSSKVERJLGG-CYBMUJFWSA-N 2 2 249.358 0.424 20 30 BCEDLP C#CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000362482396 356946187 /nfs/dbraw/zinc/94/61/87/356946187.db2.gz AWFVSSKVERJLGG-CYBMUJFWSA-N 2 2 249.358 0.424 20 30 BCEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582367213 357108325 /nfs/dbraw/zinc/10/83/25/357108325.db2.gz RWTZFVBVWNSVLT-VXGBXAGGSA-N 2 2 239.363 0.690 20 30 BCEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582367213 357108327 /nfs/dbraw/zinc/10/83/27/357108327.db2.gz RWTZFVBVWNSVLT-VXGBXAGGSA-N 2 2 239.363 0.690 20 30 BCEDLP C=CC[NH+](CCOC)C[C@@H](O)C[N@@H+](C)CC ZINC000574581317 365097215 /nfs/dbraw/zinc/09/72/15/365097215.db2.gz HPLMPGUCDNNHBH-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CC[NH+](CCOC)C[C@@H](O)C[N@H+](C)CC ZINC000574581317 365097218 /nfs/dbraw/zinc/09/72/18/365097218.db2.gz HPLMPGUCDNNHBH-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@@H](O)C[NH+](C)CC ZINC000574581317 365097220 /nfs/dbraw/zinc/09/72/20/365097220.db2.gz HPLMPGUCDNNHBH-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@@H](O)C[NH+](C)CC ZINC000574581317 365097222 /nfs/dbraw/zinc/09/72/22/365097222.db2.gz HPLMPGUCDNNHBH-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000581202172 367294452 /nfs/dbraw/zinc/29/44/52/367294452.db2.gz SBDCJUOWCYSQFT-RYUDHWBXSA-N 2 2 243.351 0.207 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000581202172 367294460 /nfs/dbraw/zinc/29/44/60/367294460.db2.gz SBDCJUOWCYSQFT-RYUDHWBXSA-N 2 2 243.351 0.207 20 30 BCEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000382830854 367561846 /nfs/dbraw/zinc/56/18/46/367561846.db2.gz IFWXYHDOXYHBTQ-UONOGXRCSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000382830854 367561852 /nfs/dbraw/zinc/56/18/52/367561852.db2.gz IFWXYHDOXYHBTQ-UONOGXRCSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000382830854 367561857 /nfs/dbraw/zinc/56/18/57/367561857.db2.gz IFWXYHDOXYHBTQ-UONOGXRCSA-N 3 2 237.391 0.871 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385123839 367796763 /nfs/dbraw/zinc/79/67/63/367796763.db2.gz FZZCFHGEDIKWMT-UHFFFAOYSA-N 2 2 237.347 0.609 20 30 BCEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385123839 367796765 /nfs/dbraw/zinc/79/67/65/367796765.db2.gz FZZCFHGEDIKWMT-UHFFFAOYSA-N 2 2 237.347 0.609 20 30 BCEDLP C=CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000631837077 369091385 /nfs/dbraw/zinc/09/13/85/369091385.db2.gz MLQFEVJBXLUCMC-VXGBXAGGSA-N 2 2 249.362 0.881 20 30 BCEDLP C=CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000631837077 369091387 /nfs/dbraw/zinc/09/13/87/369091387.db2.gz MLQFEVJBXLUCMC-VXGBXAGGSA-N 2 2 249.362 0.881 20 30 BCEDLP C=C[C@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000619719774 369550372 /nfs/dbraw/zinc/55/03/72/369550372.db2.gz CBFOUECENQPANM-LLVKDONJSA-N 2 2 237.303 0.933 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)o1 ZINC000600769026 369563593 /nfs/dbraw/zinc/56/35/93/369563593.db2.gz JMEVASSVWPRSBK-NSHDSACASA-N 2 2 205.261 0.978 20 30 BCEDLP N#Cc1cccc(C[NH2+]CCn2cc[nH+]c2)n1 ZINC000602501640 369797863 /nfs/dbraw/zinc/79/78/63/369797863.db2.gz BIXGQFOJHKTFFW-UHFFFAOYSA-N 2 2 227.271 0.940 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nn1 ZINC000424378666 206039900 /nfs/dbraw/zinc/03/99/00/206039900.db2.gz OANBWGLJILULJV-NXEZZACHSA-N 2 2 223.324 0.680 20 30 BCEDLP C=C(C)COCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000163591450 383995806 /nfs/dbraw/zinc/99/58/06/383995806.db2.gz LYLZDPZWENFBMK-OLZOCXBDSA-N 2 2 242.363 0.936 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297350 384200150 /nfs/dbraw/zinc/20/01/50/384200150.db2.gz KAXLSADFIMMHJY-QWRGUYRKSA-N 2 2 225.336 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297350 384200155 /nfs/dbraw/zinc/20/01/55/384200155.db2.gz KAXLSADFIMMHJY-QWRGUYRKSA-N 2 2 225.336 0.218 20 30 BCEDLP CC(C)(C#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600738410 384431276 /nfs/dbraw/zinc/43/12/76/384431276.db2.gz ZYFZODKWSPPATO-LLVKDONJSA-N 2 2 225.336 0.582 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000564465333 384870003 /nfs/dbraw/zinc/87/00/03/384870003.db2.gz LDNUUHTZBGSLTM-PWSUYJOCSA-N 2 2 225.336 0.723 20 30 BCEDLP COCC[NH2+]CC[NH2+]Cc1cccc(C#N)c1 ZINC000563211847 385897349 /nfs/dbraw/zinc/89/73/49/385897349.db2.gz PQLRCXIBCULHES-UHFFFAOYSA-N 2 2 233.315 0.884 20 30 BCEDLP C#CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264229302 533156516 /nfs/dbraw/zinc/15/65/16/533156516.db2.gz YDSLRSNGJGNZOE-UHFFFAOYSA-N 2 2 231.299 0.845 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000519425049 386444709 /nfs/dbraw/zinc/44/47/09/386444709.db2.gz HBMWHRRCGPMCPN-GHMZBOCLSA-N 2 2 235.335 0.824 20 30 BCEDLP C=CCNC(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000519651230 386518870 /nfs/dbraw/zinc/51/88/70/386518870.db2.gz PTUKAYBFVDIKHX-UHFFFAOYSA-N 2 2 222.292 0.120 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000294013400 386674199 /nfs/dbraw/zinc/67/41/99/386674199.db2.gz PXGRGZJYEQYOKG-AATRIKPKSA-N 2 2 246.314 0.494 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000294013400 386674205 /nfs/dbraw/zinc/67/42/05/386674205.db2.gz PXGRGZJYEQYOKG-AATRIKPKSA-N 2 2 246.314 0.494 20 30 BCEDLP Cc1c[nH+]ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424151680 387793679 /nfs/dbraw/zinc/79/36/79/387793679.db2.gz HMNJRMZAAZNGFE-JTQLQIEISA-N 2 2 232.287 0.772 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423012890 387836835 /nfs/dbraw/zinc/83/68/35/387836835.db2.gz DZBPRXPPHFRIML-FRRDWIJNSA-N 2 2 242.363 0.528 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636137 387860384 /nfs/dbraw/zinc/86/03/84/387860384.db2.gz AEZHVDCIRSFOPG-UTUOFQBUSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636137 387860390 /nfs/dbraw/zinc/86/03/90/387860390.db2.gz AEZHVDCIRSFOPG-UTUOFQBUSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193636137 387860392 /nfs/dbraw/zinc/86/03/92/387860392.db2.gz AEZHVDCIRSFOPG-UTUOFQBUSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193636137 387860397 /nfs/dbraw/zinc/86/03/97/387860397.db2.gz AEZHVDCIRSFOPG-UTUOFQBUSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424277403 387951324 /nfs/dbraw/zinc/95/13/24/387951324.db2.gz AIEYGRWCGJUZFB-GMTAPVOTSA-N 2 2 225.336 0.537 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000453322904 388046785 /nfs/dbraw/zinc/04/67/85/388046785.db2.gz AGJXBMTUNPRDIK-WYUUTHIRSA-N 2 2 210.321 0.870 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000453322904 388046788 /nfs/dbraw/zinc/04/67/88/388046788.db2.gz AGJXBMTUNPRDIK-WYUUTHIRSA-N 2 2 210.321 0.870 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000491420329 388293572 /nfs/dbraw/zinc/29/35/72/388293572.db2.gz XCRXDXYEQLPGQK-NSHDSACASA-N 2 2 234.303 0.001 20 30 BCEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000491620655 388305557 /nfs/dbraw/zinc/30/55/57/388305557.db2.gz CPZJPXGSFFCGHN-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000491620655 388305558 /nfs/dbraw/zinc/30/55/58/388305558.db2.gz CPZJPXGSFFCGHN-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000491620655 388305559 /nfs/dbraw/zinc/30/55/59/388305559.db2.gz CPZJPXGSFFCGHN-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000491620655 388305560 /nfs/dbraw/zinc/30/55/60/388305560.db2.gz CPZJPXGSFFCGHN-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000491664172 388309188 /nfs/dbraw/zinc/30/91/88/388309188.db2.gz QLMDMFZUZBOTQH-CYBMUJFWSA-N 2 2 233.315 0.916 20 30 BCEDLP C#C[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000491664172 388309189 /nfs/dbraw/zinc/30/91/89/388309189.db2.gz QLMDMFZUZBOTQH-CYBMUJFWSA-N 2 2 233.315 0.916 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)CC1 ZINC000491210006 388277808 /nfs/dbraw/zinc/27/78/08/388277808.db2.gz OWILSHKRGOCKLH-OLZOCXBDSA-N 2 2 249.358 0.104 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)CC1 ZINC000491210006 388277809 /nfs/dbraw/zinc/27/78/09/388277809.db2.gz OWILSHKRGOCKLH-OLZOCXBDSA-N 2 2 249.358 0.104 20 30 BCEDLP C=CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000573016501 388406711 /nfs/dbraw/zinc/40/67/11/388406711.db2.gz TWAFCADGFSAZFS-LLVKDONJSA-N 2 2 216.325 0.043 20 30 BCEDLP C=CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000573016501 388406714 /nfs/dbraw/zinc/40/67/14/388406714.db2.gz TWAFCADGFSAZFS-LLVKDONJSA-N 2 2 216.325 0.043 20 30 BCEDLP C=CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000573016501 388406719 /nfs/dbraw/zinc/40/67/19/388406719.db2.gz TWAFCADGFSAZFS-LLVKDONJSA-N 2 2 216.325 0.043 20 30 BCEDLP C=CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613562 388709434 /nfs/dbraw/zinc/70/94/34/388709434.db2.gz OUIJQJYZOJFCRK-SNVBAGLBSA-N 2 2 211.309 0.054 20 30 BCEDLP C=CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613562 388709436 /nfs/dbraw/zinc/70/94/36/388709436.db2.gz OUIJQJYZOJFCRK-SNVBAGLBSA-N 2 2 211.309 0.054 20 30 BCEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH2+]C)CC2)C1=O ZINC000565892750 388976511 /nfs/dbraw/zinc/97/65/11/388976511.db2.gz ROIVYFDJNKCUSR-GFCCVEGCSA-N 2 2 237.347 0.457 20 30 BCEDLP CNC(NCc1ccc(-n2cc[nH+]c2)nc1)=[NH+]C ZINC000303265946 134233250 /nfs/dbraw/zinc/23/32/50/134233250.db2.gz VGMHIUPAAZOWKD-UHFFFAOYSA-N 2 2 244.302 0.562 20 30 BCEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303385323 134233563 /nfs/dbraw/zinc/23/35/63/134233563.db2.gz VJGLBQOXKLVFOJ-VHSXEESVSA-N 2 2 228.340 0.020 20 30 BCEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303385323 134233564 /nfs/dbraw/zinc/23/35/64/134233564.db2.gz VJGLBQOXKLVFOJ-VHSXEESVSA-N 2 2 228.340 0.020 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000112658429 135026433 /nfs/dbraw/zinc/02/64/33/135026433.db2.gz ZAIXFBDGYSWURG-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000112658429 135026435 /nfs/dbraw/zinc/02/64/35/135026435.db2.gz ZAIXFBDGYSWURG-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000112658429 135026437 /nfs/dbraw/zinc/02/64/37/135026437.db2.gz ZAIXFBDGYSWURG-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000112658429 135026438 /nfs/dbraw/zinc/02/64/38/135026438.db2.gz ZAIXFBDGYSWURG-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000077248751 135059657 /nfs/dbraw/zinc/05/96/57/135059657.db2.gz GEDWMXVJMMGKPM-UHFFFAOYSA-N 2 2 239.363 0.705 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000077248751 135059659 /nfs/dbraw/zinc/05/96/59/135059659.db2.gz GEDWMXVJMMGKPM-UHFFFAOYSA-N 2 2 239.363 0.705 20 30 BCEDLP NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000261709335 135111494 /nfs/dbraw/zinc/11/14/94/135111494.db2.gz DJWLUMGTMLCAIR-UHFFFAOYSA-N 2 2 224.333 0.380 20 30 BCEDLP NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000261709335 135111496 /nfs/dbraw/zinc/11/14/96/135111496.db2.gz DJWLUMGTMLCAIR-UHFFFAOYSA-N 2 2 224.333 0.380 20 30 BCEDLP CN(C)C(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000261987682 135113064 /nfs/dbraw/zinc/11/30/64/135113064.db2.gz KNCWKZADGCAZRR-UHFFFAOYSA-N 2 2 221.308 0.596 20 30 BCEDLP CN(C(=[NH2+])NCCn1cc[nH+]c1)C1CC1 ZINC000262228925 135116678 /nfs/dbraw/zinc/11/66/78/135116678.db2.gz LVLVMTDAGPYUSZ-UHFFFAOYSA-N 2 2 207.281 0.292 20 30 BCEDLP Cc1c[nH+]ccc1CCNC1=[NH+]C[C@@H](C)N1 ZINC000262676688 135121168 /nfs/dbraw/zinc/12/11/68/135121168.db2.gz UFVOGVKULDIWLW-SNVBAGLBSA-N 2 2 218.304 0.870 20 30 BCEDLP CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264058917 135130898 /nfs/dbraw/zinc/13/08/98/135130898.db2.gz BXQVZFFVZHDDDO-NSHDSACASA-N 2 2 220.320 0.823 20 30 BCEDLP CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264074433 135131555 /nfs/dbraw/zinc/13/15/55/135131555.db2.gz FEDKSWSCCFLCHW-SECBINFHSA-N 2 2 226.349 0.885 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562975 135205375 /nfs/dbraw/zinc/20/53/75/135205375.db2.gz WUDZZRFANDOYLR-QJPTWQEYSA-N 2 2 237.347 0.361 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562975 135205377 /nfs/dbraw/zinc/20/53/77/135205377.db2.gz WUDZZRFANDOYLR-QJPTWQEYSA-N 2 2 237.347 0.361 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCC(C)(C)[NH+]2CCOCC2)N1 ZINC000262686231 135314150 /nfs/dbraw/zinc/31/41/50/135314150.db2.gz YMHIWLVUZBVPQY-SNVBAGLBSA-N 2 2 240.351 0.035 20 30 BCEDLP C=CCOCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000383092158 397996846 /nfs/dbraw/zinc/99/68/46/397996846.db2.gz XLNLLVJBPHMDOE-UHFFFAOYSA-N 2 2 238.335 0.778 20 30 BCEDLP C#CCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000271025377 166131388 /nfs/dbraw/zinc/13/13/88/166131388.db2.gz JWOGKYUICKDVNV-UHFFFAOYSA-N 2 2 232.331 0.956 20 30 BCEDLP CC#CC[NH2+]Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000656456370 411265832 /nfs/dbraw/zinc/26/58/32/411265832.db2.gz AIRCKMWBQRQNAB-UHFFFAOYSA-N 2 2 233.319 0.316 20 30 BCEDLP C=CCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000309823358 411260949 /nfs/dbraw/zinc/26/09/49/411260949.db2.gz WVLBMXZHQMYEQE-UHFFFAOYSA-N 2 2 211.309 0.102 20 30 BCEDLP C=CCCn1cc(C[NH2+]CCn2cc[nH+]c2)nn1 ZINC000657288260 411448257 /nfs/dbraw/zinc/44/82/57/411448257.db2.gz FAWLWMORGPVBPM-UHFFFAOYSA-N 2 2 246.318 0.841 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cn2cncn2)CC1 ZINC000657875490 411615356 /nfs/dbraw/zinc/61/53/56/411615356.db2.gz KYRHTWRHYIRONK-GFCCVEGCSA-N 2 2 249.362 0.907 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1nc[nH+]c(N)c1OC ZINC000491774603 412043218 /nfs/dbraw/zinc/04/32/18/412043218.db2.gz DIRLRYOPQMDCHH-UHFFFAOYSA-N 2 2 249.318 0.434 20 30 BCEDLP C#CC[N@H+](C)CCCNc1nc[nH+]c(N)c1OC ZINC000491774603 412043226 /nfs/dbraw/zinc/04/32/26/412043226.db2.gz DIRLRYOPQMDCHH-UHFFFAOYSA-N 2 2 249.318 0.434 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc(N)c1OC ZINC000491774603 412043232 /nfs/dbraw/zinc/04/32/32/412043232.db2.gz DIRLRYOPQMDCHH-UHFFFAOYSA-N 2 2 249.318 0.434 20 30 BCEDLP C#CC[N@H+](C)CCCNc1[nH+]cnc(N)c1OC ZINC000491774603 412043235 /nfs/dbraw/zinc/04/32/35/412043235.db2.gz DIRLRYOPQMDCHH-UHFFFAOYSA-N 2 2 249.318 0.434 20 30 BCEDLP C=CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662255949 412051936 /nfs/dbraw/zinc/05/19/36/412051936.db2.gz STAIUWUFFVPNIC-GFCCVEGCSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662298833 412086683 /nfs/dbraw/zinc/08/66/83/412086683.db2.gz HQBOKFSYDWFSKK-NEPJUHHUSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662298833 412086687 /nfs/dbraw/zinc/08/66/87/412086687.db2.gz HQBOKFSYDWFSKK-NEPJUHHUSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CC[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000662790658 412303842 /nfs/dbraw/zinc/30/38/42/412303842.db2.gz DYMDWUSBDKMYJO-LBPRGKRZSA-N 2 2 234.303 0.724 20 30 BCEDLP C=CC[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000662790658 412303846 /nfs/dbraw/zinc/30/38/46/412303846.db2.gz DYMDWUSBDKMYJO-LBPRGKRZSA-N 2 2 234.303 0.724 20 30 BCEDLP C[C@H](C#N)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571316012 323141281 /nfs/dbraw/zinc/14/12/81/323141281.db2.gz RMFZVZWGHZGVGL-MWLCHTKSSA-N 2 2 211.309 0.191 20 30 BCEDLP C[C@H](C#N)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571316012 323141282 /nfs/dbraw/zinc/14/12/82/323141282.db2.gz RMFZVZWGHZGVGL-MWLCHTKSSA-N 2 2 211.309 0.191 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)nn1 ZINC000566103821 325995756 /nfs/dbraw/zinc/99/57/56/325995756.db2.gz NCTPOOMRRODBHP-AAEUAGOBSA-N 2 2 249.362 0.942 20 30 BCEDLP COCC#CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000677816956 487505823 /nfs/dbraw/zinc/50/58/23/487505823.db2.gz FJVVWRXYOYIXBZ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP COCC#CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000677816956 487505824 /nfs/dbraw/zinc/50/58/24/487505824.db2.gz FJVVWRXYOYIXBZ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP COCC#CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000677816956 487505826 /nfs/dbraw/zinc/50/58/26/487505826.db2.gz FJVVWRXYOYIXBZ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP COCC#CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000677816956 487505827 /nfs/dbraw/zinc/50/58/27/487505827.db2.gz FJVVWRXYOYIXBZ-CYBMUJFWSA-N 2 2 224.348 0.910 20 30 BCEDLP C[NH+]=C(NCc1c[nH+]cn1C)NC1CC1 ZINC000262372136 536304396 /nfs/dbraw/zinc/30/43/96/536304396.db2.gz LYIUEDHJOPPJDZ-UHFFFAOYSA-N 2 2 207.281 0.248 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467396 584774522 /nfs/dbraw/zinc/77/45/22/584774522.db2.gz AYYJCNQQGUQIQM-GHMZBOCLSA-N 2 2 237.347 0.551 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472981 584775921 /nfs/dbraw/zinc/77/59/21/584775921.db2.gz YJJMTNRJKFBROE-NEPJUHHUSA-N 2 2 249.358 0.648 20 30 BCEDLP N#C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563705 584782320 /nfs/dbraw/zinc/78/23/20/584782320.db2.gz JXXKJXCWNKFLQJ-RYUDHWBXSA-N 2 2 235.331 0.743 20 30 BCEDLP N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563705 584782321 /nfs/dbraw/zinc/78/23/21/584782321.db2.gz JXXKJXCWNKFLQJ-RYUDHWBXSA-N 2 2 235.331 0.743 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000730279222 584898678 /nfs/dbraw/zinc/89/86/78/584898678.db2.gz LZEHQHNDMKBIMS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000730279222 584898679 /nfs/dbraw/zinc/89/86/79/584898679.db2.gz LZEHQHNDMKBIMS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000730279222 584898680 /nfs/dbraw/zinc/89/86/80/584898680.db2.gz LZEHQHNDMKBIMS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000730279222 584898682 /nfs/dbraw/zinc/89/86/82/584898682.db2.gz LZEHQHNDMKBIMS-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741791514 585119186 /nfs/dbraw/zinc/11/91/86/585119186.db2.gz WGVHGYBFBOBOFN-NEPJUHHUSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741791514 585119187 /nfs/dbraw/zinc/11/91/87/585119187.db2.gz WGVHGYBFBOBOFN-NEPJUHHUSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741791514 585119188 /nfs/dbraw/zinc/11/91/88/585119188.db2.gz WGVHGYBFBOBOFN-NEPJUHHUSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741791514 585119189 /nfs/dbraw/zinc/11/91/89/585119189.db2.gz WGVHGYBFBOBOFN-NEPJUHHUSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741791518 585119222 /nfs/dbraw/zinc/11/92/22/585119222.db2.gz WGVHGYBFBOBOFN-VXGBXAGGSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741791518 585119223 /nfs/dbraw/zinc/11/92/23/585119223.db2.gz WGVHGYBFBOBOFN-VXGBXAGGSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741791518 585119224 /nfs/dbraw/zinc/11/92/24/585119224.db2.gz WGVHGYBFBOBOFN-VXGBXAGGSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741791518 585119225 /nfs/dbraw/zinc/11/92/25/585119225.db2.gz WGVHGYBFBOBOFN-VXGBXAGGSA-N 2 2 237.347 0.150 20 30 BCEDLP C#CC[NH+]1CCC(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000747974641 585186250 /nfs/dbraw/zinc/18/62/50/585186250.db2.gz NDEGQHAULKLCHD-UHFFFAOYSA-N 2 2 246.314 0.371 20 30 BCEDLP C#CC[NH+]1CCC(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000747974641 585186251 /nfs/dbraw/zinc/18/62/51/585186251.db2.gz NDEGQHAULKLCHD-UHFFFAOYSA-N 2 2 246.314 0.371 20 30 BCEDLP CNC(NCC[NH+]1Cc2ccccc2C1)=[NH+]C ZINC000750543140 585217166 /nfs/dbraw/zinc/21/71/66/585217166.db2.gz BSNAOYZQHYJCOS-UHFFFAOYSA-N 2 2 232.331 0.797 20 30 BCEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C[N@@H+]1C ZINC000753937676 585272446 /nfs/dbraw/zinc/27/24/46/585272446.db2.gz YSQVYDXXRHYBOW-YUSALJHKSA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C[N@H+]1C ZINC000753937676 585272447 /nfs/dbraw/zinc/27/24/47/585272447.db2.gz YSQVYDXXRHYBOW-YUSALJHKSA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000753966911 585273925 /nfs/dbraw/zinc/27/39/25/585273925.db2.gz JZXDIFYCGAWNBK-LLVKDONJSA-N 2 2 236.363 0.846 20 30 BCEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000753966911 585273926 /nfs/dbraw/zinc/27/39/26/585273926.db2.gz JZXDIFYCGAWNBK-LLVKDONJSA-N 2 2 236.363 0.846 20 30 BCEDLP C#CCCC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000766898934 585510192 /nfs/dbraw/zinc/51/01/92/585510192.db2.gz KYKPKLAYSYMAIY-LBPRGKRZSA-N 2 2 210.321 0.662 20 30 BCEDLP C#CCCC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000766898934 585510193 /nfs/dbraw/zinc/51/01/93/585510193.db2.gz KYKPKLAYSYMAIY-LBPRGKRZSA-N 2 2 210.321 0.662 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000787677383 585913786 /nfs/dbraw/zinc/91/37/86/585913786.db2.gz WDIWEYMLDJLMAX-CYBMUJFWSA-N 2 2 222.332 0.806 20 30 BCEDLP C#CCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000799174376 586165143 /nfs/dbraw/zinc/16/51/43/586165143.db2.gz NQNPGOSJYNBOFQ-UHFFFAOYSA-N 2 2 237.347 0.154 20 30 BCEDLP C#CCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000799174376 586165144 /nfs/dbraw/zinc/16/51/44/586165144.db2.gz NQNPGOSJYNBOFQ-UHFFFAOYSA-N 2 2 237.347 0.154 20 30 BCEDLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809577000 586508121 /nfs/dbraw/zinc/50/81/21/586508121.db2.gz IUSQNZWEJILJPD-VXGBXAGGSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809577000 586508123 /nfs/dbraw/zinc/50/81/23/586508123.db2.gz IUSQNZWEJILJPD-VXGBXAGGSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000809577000 586508125 /nfs/dbraw/zinc/50/81/25/586508125.db2.gz IUSQNZWEJILJPD-VXGBXAGGSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000809577000 586508126 /nfs/dbraw/zinc/50/81/26/586508126.db2.gz IUSQNZWEJILJPD-VXGBXAGGSA-N 2 2 225.336 0.535 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000811589537 586561814 /nfs/dbraw/zinc/56/18/14/586561814.db2.gz XPEQLEUUHIHRLZ-LBPRGKRZSA-N 2 2 246.314 0.134 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000811589537 586561815 /nfs/dbraw/zinc/56/18/15/586561815.db2.gz XPEQLEUUHIHRLZ-LBPRGKRZSA-N 2 2 246.314 0.134 20 30 BCEDLP CC#CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000815279243 586676967 /nfs/dbraw/zinc/67/69/67/586676967.db2.gz FUVUTUQHRUYCQC-GFCCVEGCSA-N 2 2 210.321 0.398 20 30 BCEDLP CC#CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000815279243 586676968 /nfs/dbraw/zinc/67/69/68/586676968.db2.gz FUVUTUQHRUYCQC-GFCCVEGCSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000819039284 586927034 /nfs/dbraw/zinc/92/70/34/586927034.db2.gz OZMKQWJLANOOMK-ZDUSSCGKSA-N 2 2 249.358 0.200 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000819039284 586927035 /nfs/dbraw/zinc/92/70/35/586927035.db2.gz OZMKQWJLANOOMK-ZDUSSCGKSA-N 2 2 249.358 0.200 20 30 BCEDLP C#CC[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000821385359 587114981 /nfs/dbraw/zinc/11/49/81/587114981.db2.gz BOFAWXNFULJIMG-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000821385359 587114976 /nfs/dbraw/zinc/11/49/76/587114976.db2.gz BOFAWXNFULJIMG-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC[N@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000821385359 587114977 /nfs/dbraw/zinc/11/49/77/587114977.db2.gz BOFAWXNFULJIMG-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000821385359 587114979 /nfs/dbraw/zinc/11/49/79/587114979.db2.gz BOFAWXNFULJIMG-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000846996314 588301001 /nfs/dbraw/zinc/30/10/01/588301001.db2.gz WGQAYNNVMDLJLX-VXGBXAGGSA-N 2 2 225.336 0.725 20 30 BCEDLP C[C@H]1CC(=NNCCCn2cc[nH+]c2)C[N@@H+]1C ZINC000848417898 588381972 /nfs/dbraw/zinc/38/19/72/588381972.db2.gz GXLUYPMOSCDKII-NSHDSACASA-N 2 2 235.335 0.943 20 30 BCEDLP C[C@H]1CC(=NNCCCn2cc[nH+]c2)C[N@H+]1C ZINC000848417898 588381974 /nfs/dbraw/zinc/38/19/74/588381974.db2.gz GXLUYPMOSCDKII-NSHDSACASA-N 2 2 235.335 0.943 20 30 BCEDLP C#C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848910542 588419202 /nfs/dbraw/zinc/41/92/02/588419202.db2.gz MBWAVZXJTJTXMO-DGCLKSJQSA-N 2 2 222.332 0.851 20 30 BCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC1CC1 ZINC000849005476 588432734 /nfs/dbraw/zinc/43/27/34/588432734.db2.gz DCFUUBZEQZSYAD-UHFFFAOYSA-N 2 2 242.392 0.363 20 30 BCEDLP CNC(NCCc1cn2c(cccc2C)[nH+]1)=[NH+]C ZINC000849046493 588450255 /nfs/dbraw/zinc/45/02/55/588450255.db2.gz HRLFSXAGDFZASW-UHFFFAOYSA-N 2 2 245.330 0.980 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000876882784 590253173 /nfs/dbraw/zinc/25/31/73/590253173.db2.gz ROZRRXREFWQWDK-QMMMGPOBSA-N 2 2 228.683 0.496 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572377 590811407 /nfs/dbraw/zinc/81/14/07/590811407.db2.gz PODYNTMEKSJGIY-VXGBXAGGSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572377 590811411 /nfs/dbraw/zinc/81/14/11/590811411.db2.gz PODYNTMEKSJGIY-VXGBXAGGSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572377 590811415 /nfs/dbraw/zinc/81/14/15/590811415.db2.gz PODYNTMEKSJGIY-VXGBXAGGSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572377 590811420 /nfs/dbraw/zinc/81/14/20/590811420.db2.gz PODYNTMEKSJGIY-VXGBXAGGSA-N 2 2 237.347 0.315 20 30 BCEDLP C#CC[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000883123677 591543574 /nfs/dbraw/zinc/54/35/74/591543574.db2.gz HFQZPETVBWQUTO-NSHDSACASA-N 2 2 229.283 0.808 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn2c1CCC2 ZINC000883131067 591546719 /nfs/dbraw/zinc/54/67/19/591546719.db2.gz FDXIGGANQNMTOE-UHFFFAOYSA-N 2 2 246.358 0.874 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn2c1CCC2 ZINC000883131067 591546721 /nfs/dbraw/zinc/54/67/21/591546721.db2.gz FDXIGGANQNMTOE-UHFFFAOYSA-N 2 2 246.358 0.874 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931276617 634301926 /nfs/dbraw/zinc/30/19/26/634301926.db2.gz ABHXOKCZZDXYCI-XQHKEYJVSA-N 2 2 249.358 0.265 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931276617 634301928 /nfs/dbraw/zinc/30/19/28/634301928.db2.gz ABHXOKCZZDXYCI-XQHKEYJVSA-N 2 2 249.358 0.265 20 30 BCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538327 635236841 /nfs/dbraw/zinc/23/68/41/635236841.db2.gz FDKILFMKEJCDSU-GFCCVEGCSA-N 2 2 246.314 0.049 20 30 BCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538327 635236850 /nfs/dbraw/zinc/23/68/50/635236850.db2.gz FDKILFMKEJCDSU-GFCCVEGCSA-N 2 2 246.314 0.049 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987606296 636654737 /nfs/dbraw/zinc/65/47/37/636654737.db2.gz WFSMVAJEHOZNIC-NWDGAFQWSA-N 2 2 248.330 0.648 20 30 BCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989486513 636857480 /nfs/dbraw/zinc/85/74/80/636857480.db2.gz DRGNKSGMLROWBF-ZYHUDNBSSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989488256 636859650 /nfs/dbraw/zinc/85/96/50/636859650.db2.gz QOOPAICZGUFHPR-CMPLNLGQSA-N 2 2 248.330 0.717 20 30 BCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989608064 636866512 /nfs/dbraw/zinc/86/65/12/636866512.db2.gz GYQBHOXMFHCSDR-GHMZBOCLSA-N 2 2 246.314 0.164 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCc1[nH]c[nH+]c1C ZINC000900918400 637203923 /nfs/dbraw/zinc/20/39/23/637203923.db2.gz HYYCQLFDXOYLRI-UHFFFAOYSA-N 2 2 236.319 0.842 20 30 BCEDLP N#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787417 637382601 /nfs/dbraw/zinc/38/26/01/637382601.db2.gz WBSWOAZLEDHWQT-IHRRRGAJSA-N 2 2 249.358 0.991 20 30 BCEDLP N#C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787417 637382611 /nfs/dbraw/zinc/38/26/11/637382611.db2.gz WBSWOAZLEDHWQT-IHRRRGAJSA-N 2 2 249.358 0.991 20 30 BCEDLP C=C(C)[C@H](CO)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515019 640240633 /nfs/dbraw/zinc/24/06/33/640240633.db2.gz LEKWBPYDPBIYNM-ZDUSSCGKSA-N 2 2 233.315 0.959 20 30 BCEDLP C=C(C)[C@H](CO)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515019 640240640 /nfs/dbraw/zinc/24/06/40/640240640.db2.gz LEKWBPYDPBIYNM-ZDUSSCGKSA-N 2 2 233.315 0.959 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000227420285 640832778 /nfs/dbraw/zinc/83/27/78/640832778.db2.gz UVCBHJZLLOWTPD-CHWSQXEVSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000227420285 640832783 /nfs/dbraw/zinc/83/27/83/640832783.db2.gz UVCBHJZLLOWTPD-CHWSQXEVSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000227420285 640832790 /nfs/dbraw/zinc/83/27/90/640832790.db2.gz UVCBHJZLLOWTPD-CHWSQXEVSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000227420285 640832792 /nfs/dbraw/zinc/83/27/92/640832792.db2.gz UVCBHJZLLOWTPD-CHWSQXEVSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000920096044 642434640 /nfs/dbraw/zinc/43/46/40/642434640.db2.gz UUDROTFGMTXVDF-LBPRGKRZSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CC[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000920096044 642434642 /nfs/dbraw/zinc/43/46/42/642434642.db2.gz UUDROTFGMTXVDF-LBPRGKRZSA-N 2 2 210.321 0.398 20 30 BCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895678 642708718 /nfs/dbraw/zinc/70/87/18/642708718.db2.gz KTXSTWORRQVZQT-PJXYFTJBSA-N 2 2 246.314 0.185 20 30 BCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895678 642708723 /nfs/dbraw/zinc/70/87/23/642708723.db2.gz KTXSTWORRQVZQT-PJXYFTJBSA-N 2 2 246.314 0.185 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968537436 642813371 /nfs/dbraw/zinc/81/33/71/642813371.db2.gz WYMVVTZVFSXLPL-LLVKDONJSA-N 2 2 248.330 0.719 20 30 BCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939407608 642870865 /nfs/dbraw/zinc/87/08/65/642870865.db2.gz GTGWUQGYZACKLN-WDEREUQCSA-N 2 2 246.314 0.022 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018783730 643009817 /nfs/dbraw/zinc/00/98/17/643009817.db2.gz SQTDUWJROJUOGS-NSHDSACASA-N 2 2 246.314 0.166 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868645 643044353 /nfs/dbraw/zinc/04/43/53/643044353.db2.gz IPBVRVOYXVKMBW-NSHDSACASA-N 2 2 234.303 0.260 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969519254 643184909 /nfs/dbraw/zinc/18/49/09/643184909.db2.gz MOZFPUGPUVBAEH-GFCCVEGCSA-N 2 2 246.314 0.097 20 30 BCEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970341283 643416199 /nfs/dbraw/zinc/41/61/99/643416199.db2.gz MPQYSPLEJUHZHQ-LLVKDONJSA-N 2 2 248.330 0.719 20 30 BCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000555316 643791746 /nfs/dbraw/zinc/79/17/46/643791746.db2.gz AZHYVVMHFLQWKM-LLVKDONJSA-N 2 2 246.314 0.166 20 30 BCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398873 643897258 /nfs/dbraw/zinc/89/72/58/643897258.db2.gz ZMCXWWVJKWCHOG-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398873 643897261 /nfs/dbraw/zinc/89/72/61/643897261.db2.gz ZMCXWWVJKWCHOG-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923282202 644314718 /nfs/dbraw/zinc/31/47/18/644314718.db2.gz SQLQPTQCOMUQBN-VXGBXAGGSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923282202 644314727 /nfs/dbraw/zinc/31/47/27/644314727.db2.gz SQLQPTQCOMUQBN-VXGBXAGGSA-N 2 2 212.337 0.997 20 30 BCEDLP NC(CCO)=[NH+]OCC[NH+]1CCCCC1 ZINC000194438705 644319473 /nfs/dbraw/zinc/31/94/73/644319473.db2.gz ZDNUBIBDZWJZHS-UHFFFAOYSA-N 2 2 215.297 0.144 20 30 BCEDLP C[C@@]1(C#N)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395662 644402053 /nfs/dbraw/zinc/40/20/53/644402053.db2.gz OYQKQTZOEOYHNJ-NAKRPEOUSA-N 2 2 209.293 0.073 20 30 BCEDLP C[C@@]1(C#N)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395662 644402056 /nfs/dbraw/zinc/40/20/56/644402056.db2.gz OYQKQTZOEOYHNJ-NAKRPEOUSA-N 2 2 209.293 0.073 20 30 BCEDLP C[C@]1(C#N)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395664 644403029 /nfs/dbraw/zinc/40/30/29/644403029.db2.gz OYQKQTZOEOYHNJ-XWLWVQCSSA-N 2 2 209.293 0.073 20 30 BCEDLP C[C@]1(C#N)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395664 644403033 /nfs/dbraw/zinc/40/30/33/644403033.db2.gz OYQKQTZOEOYHNJ-XWLWVQCSSA-N 2 2 209.293 0.073 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426378 644420521 /nfs/dbraw/zinc/42/05/21/644420521.db2.gz TTXARFVIWOTKBO-VXGBXAGGSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426378 644420522 /nfs/dbraw/zinc/42/05/22/644420522.db2.gz TTXARFVIWOTKBO-VXGBXAGGSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458733 644439430 /nfs/dbraw/zinc/43/94/30/644439430.db2.gz SEUSMXUMYCZTCK-RWMBFGLXSA-N 2 2 224.348 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458733 644439433 /nfs/dbraw/zinc/43/94/33/644439433.db2.gz SEUSMXUMYCZTCK-RWMBFGLXSA-N 2 2 224.348 0.997 20 30 BCEDLP C[C@H](C#N)OCC[NH+]1CCC([NH+](C)C)CC1 ZINC000304263511 644884695 /nfs/dbraw/zinc/88/46/95/644884695.db2.gz UIPDZYVEAXHQRO-LLVKDONJSA-N 2 2 225.336 0.941 20 30 BCEDLP Cc1cc(N(C)C)ccc1C=[NH+]NC(N)=[NH2+] ZINC000841619661 645219565 /nfs/dbraw/zinc/21/95/65/645219565.db2.gz OKPGCVBPGGRMNX-UHFFFAOYSA-N 2 2 219.292 0.878 20 30 BCEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782384 646299184 /nfs/dbraw/zinc/29/91/84/646299184.db2.gz MGUQEWDNFVITTD-SDDRHHMPSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1C ZINC000929782384 646299190 /nfs/dbraw/zinc/29/91/90/646299190.db2.gz MGUQEWDNFVITTD-SDDRHHMPSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782384 646299198 /nfs/dbraw/zinc/29/91/98/646299198.db2.gz MGUQEWDNFVITTD-SDDRHHMPSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782384 646299202 /nfs/dbraw/zinc/29/92/02/646299202.db2.gz MGUQEWDNFVITTD-SDDRHHMPSA-N 2 2 225.336 0.675 20 30 BCEDLP N#CC1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925653022 646389964 /nfs/dbraw/zinc/38/99/64/646389964.db2.gz CKMYHFBASRNMRY-WXRRBKDZSA-N 2 2 237.347 0.894 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000925772853 646472997 /nfs/dbraw/zinc/47/29/97/646472997.db2.gz VKEQOYSWFJPVDR-UPJWGTAASA-N 2 2 242.363 0.670 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(C)c1 ZINC000382387058 711584087 /nfs/dbraw/zinc/58/40/87/711584087.db2.gz OPZUCMHQHOAIMG-UHFFFAOYSA-N 2 2 220.320 0.465 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(C)c1 ZINC000382387058 711584089 /nfs/dbraw/zinc/58/40/89/711584089.db2.gz OPZUCMHQHOAIMG-UHFFFAOYSA-N 2 2 220.320 0.465 20 30 BCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038119350 711801479 /nfs/dbraw/zinc/80/14/79/711801479.db2.gz VVDGMGNQHBTILJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038119350 711801480 /nfs/dbraw/zinc/80/14/80/711801480.db2.gz VVDGMGNQHBTILJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038119350 711801482 /nfs/dbraw/zinc/80/14/82/711801482.db2.gz VVDGMGNQHBTILJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038119350 711801483 /nfs/dbraw/zinc/80/14/83/711801483.db2.gz VVDGMGNQHBTILJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033705398 712014409 /nfs/dbraw/zinc/01/44/09/712014409.db2.gz GRVXINWHQKHBPY-GFCCVEGCSA-N 2 2 248.330 0.602 20 30 BCEDLP Cc1c[nH+]cn1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602332500 349508707 /nfs/dbraw/zinc/50/87/07/349508707.db2.gz KNKHOHJYQILNIT-GFCCVEGCSA-N 2 2 249.318 0.152 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)nn1 ZINC000424291602 398180707 /nfs/dbraw/zinc/18/07/07/398180707.db2.gz DVHNERMDNOBEEG-WCQYABFASA-N 2 2 249.362 0.894 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)nn1 ZINC000424291602 398180710 /nfs/dbraw/zinc/18/07/10/398180710.db2.gz DVHNERMDNOBEEG-WCQYABFASA-N 2 2 249.362 0.894 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602607088 349628785 /nfs/dbraw/zinc/62/87/85/349628785.db2.gz GSTBKBDBQOHZJX-NSHDSACASA-N 2 2 239.363 0.971 20 30 BCEDLP N#CC1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000602730625 349717059 /nfs/dbraw/zinc/71/70/59/349717059.db2.gz SBQKHKOASAWQBI-BPCQOVAHSA-N 2 2 237.347 0.725 20 30 BCEDLP N#CC1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000602730625 349717060 /nfs/dbraw/zinc/71/70/60/349717060.db2.gz SBQKHKOASAWQBI-BPCQOVAHSA-N 2 2 237.347 0.725 20 30 BCEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000582071012 347172809 /nfs/dbraw/zinc/17/28/09/347172809.db2.gz DXDPAYMQMHECIX-LLVKDONJSA-N 2 2 238.335 0.042 20 30 BCEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612696 348083138 /nfs/dbraw/zinc/08/31/38/348083138.db2.gz PQEFGDZTNIOEJL-DGCLKSJQSA-N 2 2 237.347 0.989 20 30 BCEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1C ZINC000597155143 348665988 /nfs/dbraw/zinc/66/59/88/348665988.db2.gz GHVJYGDOYCYHSM-LBPRGKRZSA-N 2 2 234.303 0.579 20 30 BCEDLP Cc1[nH+]cc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1C ZINC000597155143 348665991 /nfs/dbraw/zinc/66/59/91/348665991.db2.gz GHVJYGDOYCYHSM-LBPRGKRZSA-N 2 2 234.303 0.579 20 30 BCEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC000309288039 350255857 /nfs/dbraw/zinc/25/58/57/350255857.db2.gz VCRUOAGKUVSHMA-GFCCVEGCSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC000309288039 350255860 /nfs/dbraw/zinc/25/58/60/350255860.db2.gz VCRUOAGKUVSHMA-GFCCVEGCSA-N 2 2 225.336 0.535 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000336691804 350993097 /nfs/dbraw/zinc/99/30/97/350993097.db2.gz WYEQMQBYHMTVLB-NSHDSACASA-N 2 2 213.325 0.252 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCCCNc2cccc[nH+]2)N1 ZINC000285091216 352021397 /nfs/dbraw/zinc/02/13/97/352021397.db2.gz NWKQZIZRXHDJAL-SNVBAGLBSA-N 2 2 233.319 0.821 20 30 BCEDLP CN(CCC[N@H+](C)CCC#N)CC[NH+](C)C ZINC000411733135 191208499 /nfs/dbraw/zinc/20/84/99/191208499.db2.gz FLYBJOOYMXCGEW-UHFFFAOYSA-N 2 2 226.368 0.715 20 30 BCEDLP CN(CCC[N@@H+](C)CCC#N)CC[NH+](C)C ZINC000411733135 191208502 /nfs/dbraw/zinc/20/85/02/191208502.db2.gz FLYBJOOYMXCGEW-UHFFFAOYSA-N 2 2 226.368 0.715 20 30 BCEDLP N#CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331001315 353210458 /nfs/dbraw/zinc/21/04/58/353210458.db2.gz QMZRDSPPGZAZRW-JTQLQIEISA-N 2 2 247.302 0.229 20 30 BCEDLP N#CCNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331001315 353210459 /nfs/dbraw/zinc/21/04/59/353210459.db2.gz QMZRDSPPGZAZRW-JTQLQIEISA-N 2 2 247.302 0.229 20 30 BCEDLP C#CCC[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000272041045 188262985 /nfs/dbraw/zinc/26/29/85/188262985.db2.gz QYUUHSZZKIXERM-UHFFFAOYSA-N 2 2 246.358 0.832 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000266200404 181108656 /nfs/dbraw/zinc/10/86/56/181108656.db2.gz LBGRNIUSPQRGBS-LLVKDONJSA-N 2 2 249.314 0.698 20 30 BCEDLP C[N@@H+]1CCO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000329865109 356135922 /nfs/dbraw/zinc/13/59/22/356135922.db2.gz TYWXXDIXSJRECK-VIFPVBQESA-N 2 2 238.291 0.239 20 30 BCEDLP C[N@H+]1CCO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000329865109 356135925 /nfs/dbraw/zinc/13/59/25/356135925.db2.gz TYWXXDIXSJRECK-VIFPVBQESA-N 2 2 238.291 0.239 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000420324350 192228927 /nfs/dbraw/zinc/22/89/27/192228927.db2.gz ZKZLOPWIGHAANO-XQQFMLRXSA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000420324350 192228928 /nfs/dbraw/zinc/22/89/28/192228928.db2.gz ZKZLOPWIGHAANO-XQQFMLRXSA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000420324347 192229255 /nfs/dbraw/zinc/22/92/55/192229255.db2.gz ZKZLOPWIGHAANO-AVGNSLFASA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000420324347 192229258 /nfs/dbraw/zinc/22/92/58/192229258.db2.gz ZKZLOPWIGHAANO-AVGNSLFASA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364911 192223407 /nfs/dbraw/zinc/22/34/07/192223407.db2.gz PNQJLNCUSKQATP-MNOVXSKESA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420365173 192224317 /nfs/dbraw/zinc/22/43/17/192224317.db2.gz KWOAFWRYGBCFGF-HOSYDEDBSA-N 2 2 225.336 0.265 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513924 134161426 /nfs/dbraw/zinc/16/14/26/134161426.db2.gz YIEPPZCFLYJPGA-NSHDSACASA-N 2 2 225.336 0.172 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513924 134161427 /nfs/dbraw/zinc/16/14/27/134161427.db2.gz YIEPPZCFLYJPGA-NSHDSACASA-N 2 2 225.336 0.172 20 30 BCEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582367211 357108247 /nfs/dbraw/zinc/10/82/47/357108247.db2.gz RWTZFVBVWNSVLT-NWDGAFQWSA-N 2 2 239.363 0.690 20 30 BCEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582367211 357108248 /nfs/dbraw/zinc/10/82/48/357108248.db2.gz RWTZFVBVWNSVLT-NWDGAFQWSA-N 2 2 239.363 0.690 20 30 BCEDLP CC(C)CCNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264090194 535385094 /nfs/dbraw/zinc/38/50/94/535385094.db2.gz KQAHFINZJJXWTD-UHFFFAOYSA-N 2 2 223.324 0.834 20 30 BCEDLP CCNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269972188 535423375 /nfs/dbraw/zinc/42/33/75/535423375.db2.gz OSWKBELLVGFCOM-UHFFFAOYSA-N 2 2 206.293 0.857 20 30 BCEDLP N#CCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129511415 358587480 /nfs/dbraw/zinc/58/74/80/358587480.db2.gz KRTOCORAAZONJX-ZDUSSCGKSA-N 2 2 237.347 0.944 20 30 BCEDLP N#CCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129511415 358587482 /nfs/dbraw/zinc/58/74/82/358587482.db2.gz KRTOCORAAZONJX-ZDUSSCGKSA-N 2 2 237.347 0.944 20 30 BCEDLP C#CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129602261 358589469 /nfs/dbraw/zinc/58/94/69/358589469.db2.gz DRVKLMXRYVRZCX-GFCCVEGCSA-N 2 2 208.305 0.274 20 30 BCEDLP C#CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129602261 358589471 /nfs/dbraw/zinc/58/94/71/358589471.db2.gz DRVKLMXRYVRZCX-GFCCVEGCSA-N 2 2 208.305 0.274 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246432462 359084573 /nfs/dbraw/zinc/08/45/73/359084573.db2.gz VNLIFQQOXLTMPQ-NEPJUHHUSA-N 2 2 239.363 0.561 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246432462 359084576 /nfs/dbraw/zinc/08/45/76/359084576.db2.gz VNLIFQQOXLTMPQ-NEPJUHHUSA-N 2 2 239.363 0.561 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858317 359090980 /nfs/dbraw/zinc/09/09/80/359090980.db2.gz HDOUETOBVWKKSB-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858317 359090986 /nfs/dbraw/zinc/09/09/86/359090986.db2.gz HDOUETOBVWKKSB-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858317 359090989 /nfs/dbraw/zinc/09/09/89/359090989.db2.gz HDOUETOBVWKKSB-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858317 359090994 /nfs/dbraw/zinc/09/09/94/359090994.db2.gz HDOUETOBVWKKSB-LBPRGKRZSA-N 2 2 239.363 0.562 20 30 BCEDLP Cc1[nH+]ccn1CC[NH+]1CCN(CCC#N)CC1 ZINC000611225070 359142125 /nfs/dbraw/zinc/14/21/25/359142125.db2.gz XCRRSFZODWEGFS-UHFFFAOYSA-N 2 2 247.346 0.723 20 30 BCEDLP C=CC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629551834 361444308 /nfs/dbraw/zinc/44/43/08/361444308.db2.gz XIDVJPXNCDCKJY-NEPJUHHUSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629551834 361444311 /nfs/dbraw/zinc/44/43/11/361444311.db2.gz XIDVJPXNCDCKJY-NEPJUHHUSA-N 2 2 210.321 0.873 20 30 BCEDLP CC#CC[NH2+]Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630606278 364337565 /nfs/dbraw/zinc/33/75/65/364337565.db2.gz VXLUTZPFLHOLJQ-LLVKDONJSA-N 2 2 233.319 0.143 20 30 BCEDLP C[N@H+](C[C@@H](O)C[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000574869727 365162460 /nfs/dbraw/zinc/16/24/60/365162460.db2.gz ZSDMZHUQRHWOHB-LBPRGKRZSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000574869727 365162466 /nfs/dbraw/zinc/16/24/66/365162466.db2.gz ZSDMZHUQRHWOHB-LBPRGKRZSA-N 2 2 237.347 0.725 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180033506 541506726 /nfs/dbraw/zinc/50/67/26/541506726.db2.gz ZASWJWORFLACRV-MNOVXSKESA-N 2 2 225.336 0.361 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180033506 541506730 /nfs/dbraw/zinc/50/67/30/541506730.db2.gz ZASWJWORFLACRV-MNOVXSKESA-N 2 2 225.336 0.361 20 30 BCEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000382830852 367562437 /nfs/dbraw/zinc/56/24/37/367562437.db2.gz IFWXYHDOXYHBTQ-KBPBESRZSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000382830852 367562438 /nfs/dbraw/zinc/56/24/38/367562438.db2.gz IFWXYHDOXYHBTQ-KBPBESRZSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000382830852 367562442 /nfs/dbraw/zinc/56/24/42/367562442.db2.gz IFWXYHDOXYHBTQ-KBPBESRZSA-N 3 2 237.391 0.871 20 30 BCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107573850 369353719 /nfs/dbraw/zinc/35/37/19/369353719.db2.gz CWIWJWCOWWEHMH-STQMWFEESA-N 2 2 249.358 0.338 20 30 BCEDLP N#Cc1ccc(C[NH2+]C2CC[NH2+]CC2)o1 ZINC000600767699 369562658 /nfs/dbraw/zinc/56/26/58/369562658.db2.gz CHMXOUTXRUXEAL-UHFFFAOYSA-N 2 2 205.261 0.993 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)o1 ZINC000600769558 369563689 /nfs/dbraw/zinc/56/36/89/369563689.db2.gz ORNJLHRMUUSUAY-LBPRGKRZSA-N 2 2 235.287 0.619 20 30 BCEDLP N#Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000602495443 369795943 /nfs/dbraw/zinc/79/59/43/369795943.db2.gz UTQMIIZGRBZPCO-PHIMTYICSA-N 2 2 228.299 0.604 20 30 BCEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000602495443 369795946 /nfs/dbraw/zinc/79/59/46/369795946.db2.gz UTQMIIZGRBZPCO-PHIMTYICSA-N 2 2 228.299 0.604 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832404 372616631 /nfs/dbraw/zinc/61/66/31/372616631.db2.gz FKUJUNKRWFAJQP-NWDGAFQWSA-N 2 2 239.363 0.880 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832404 372616635 /nfs/dbraw/zinc/61/66/35/372616635.db2.gz FKUJUNKRWFAJQP-NWDGAFQWSA-N 2 2 239.363 0.880 20 30 BCEDLP C#CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000363460679 384062979 /nfs/dbraw/zinc/06/29/79/384062979.db2.gz IZJQULWCNMIMNL-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP C#CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000363460679 384062986 /nfs/dbraw/zinc/06/29/86/384062986.db2.gz IZJQULWCNMIMNL-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP NC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000161521342 384499831 /nfs/dbraw/zinc/49/98/31/384499831.db2.gz BJZZRWFMOPYYBU-UHFFFAOYSA-N 2 2 248.330 0.292 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309734906 384571105 /nfs/dbraw/zinc/57/11/05/384571105.db2.gz CDDXWAWPXVLPRO-DMDPSCGWSA-N 2 2 224.348 0.996 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309734906 384571111 /nfs/dbraw/zinc/57/11/11/384571111.db2.gz CDDXWAWPXVLPRO-DMDPSCGWSA-N 2 2 224.348 0.996 20 30 BCEDLP C#CC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000192230194 384915472 /nfs/dbraw/zinc/91/54/72/384915472.db2.gz RQRHJSQOYLDKCJ-GFCCVEGCSA-N 2 2 237.347 0.104 20 30 BCEDLP C#CC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000192230194 384915480 /nfs/dbraw/zinc/91/54/80/384915480.db2.gz RQRHJSQOYLDKCJ-GFCCVEGCSA-N 2 2 237.347 0.104 20 30 BCEDLP C#C[C@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000491483442 384988993 /nfs/dbraw/zinc/98/89/93/384988993.db2.gz BVWXUADXNZCDHN-LBPRGKRZSA-N 2 2 219.288 0.526 20 30 BCEDLP C#C[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000491483442 384989003 /nfs/dbraw/zinc/98/90/03/384989003.db2.gz BVWXUADXNZCDHN-LBPRGKRZSA-N 2 2 219.288 0.526 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784207 385169391 /nfs/dbraw/zinc/16/93/91/385169391.db2.gz GDWBIMQHQOAOFZ-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP COCC#CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784207 385169400 /nfs/dbraw/zinc/16/94/00/385169400.db2.gz GDWBIMQHQOAOFZ-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP COCC#CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784207 385169411 /nfs/dbraw/zinc/16/94/11/385169411.db2.gz GDWBIMQHQOAOFZ-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP COCC#CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784207 385169418 /nfs/dbraw/zinc/16/94/18/385169418.db2.gz GDWBIMQHQOAOFZ-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913297 385456664 /nfs/dbraw/zinc/45/66/64/385456664.db2.gz UFAPPHRTIOOQGQ-SNVBAGLBSA-N 2 2 249.318 0.139 20 30 BCEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913297 385456670 /nfs/dbraw/zinc/45/66/70/385456670.db2.gz UFAPPHRTIOOQGQ-SNVBAGLBSA-N 2 2 249.318 0.139 20 30 BCEDLP C=CCNC(=O)C[NH2+]Cc1c[nH+]cn1C(C)C ZINC000393876777 385946115 /nfs/dbraw/zinc/94/61/15/385946115.db2.gz HUHIBTMMMNQKBJ-UHFFFAOYSA-N 2 2 236.319 0.856 20 30 BCEDLP C=C[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425383405 387033229 /nfs/dbraw/zinc/03/32/29/387033229.db2.gz PIDWNCRQPOQJMM-SECBINFHSA-N 2 2 224.308 0.123 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334995891 387087768 /nfs/dbraw/zinc/08/77/68/387087768.db2.gz OBPCUCLJTHZRLG-GXTWGEPZSA-N 2 2 249.358 0.459 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334995891 387087771 /nfs/dbraw/zinc/08/77/71/387087771.db2.gz OBPCUCLJTHZRLG-GXTWGEPZSA-N 2 2 249.358 0.459 20 30 BCEDLP C#CCC[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000272052866 387451119 /nfs/dbraw/zinc/45/11/19/387451119.db2.gz UZFYBHNVWUJSIE-UHFFFAOYSA-N 2 2 246.358 0.914 20 30 BCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442780328 387838614 /nfs/dbraw/zinc/83/86/14/387838614.db2.gz KFMGSVQWHBFCGH-FRRDWIJNSA-N 2 2 236.363 0.514 20 30 BCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442780328 387838619 /nfs/dbraw/zinc/83/86/19/387838619.db2.gz KFMGSVQWHBFCGH-FRRDWIJNSA-N 2 2 236.363 0.514 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000491621402 388305468 /nfs/dbraw/zinc/30/54/68/388305468.db2.gz GGQMYQFOIPAECP-SNVBAGLBSA-N 2 2 220.320 0.940 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000491621402 388305469 /nfs/dbraw/zinc/30/54/69/388305469.db2.gz GGQMYQFOIPAECP-SNVBAGLBSA-N 2 2 220.320 0.940 20 30 BCEDLP C#C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491758180 388318336 /nfs/dbraw/zinc/31/83/36/388318336.db2.gz HMHLYQMROBCQRP-CMPLNLGQSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491758180 388318337 /nfs/dbraw/zinc/31/83/37/388318337.db2.gz HMHLYQMROBCQRP-CMPLNLGQSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491758180 388318338 /nfs/dbraw/zinc/31/83/38/388318338.db2.gz HMHLYQMROBCQRP-CMPLNLGQSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491758180 388318339 /nfs/dbraw/zinc/31/83/39/388318339.db2.gz HMHLYQMROBCQRP-CMPLNLGQSA-N 2 2 210.321 0.395 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H]2C)CC1 ZINC000491210005 388277764 /nfs/dbraw/zinc/27/77/64/388277764.db2.gz OWILSHKRGOCKLH-CHWSQXEVSA-N 2 2 249.358 0.104 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)CC1 ZINC000491210005 388277766 /nfs/dbraw/zinc/27/77/66/388277766.db2.gz OWILSHKRGOCKLH-CHWSQXEVSA-N 2 2 249.358 0.104 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H]2C)CC1 ZINC000491210007 388278119 /nfs/dbraw/zinc/27/81/19/388278119.db2.gz OWILSHKRGOCKLH-QWHCGFSZSA-N 2 2 249.358 0.104 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H]2C)CC1 ZINC000491210007 388278121 /nfs/dbraw/zinc/27/81/21/388278121.db2.gz OWILSHKRGOCKLH-QWHCGFSZSA-N 2 2 249.358 0.104 20 30 BCEDLP C[NH2+]CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414837524 388665923 /nfs/dbraw/zinc/66/59/23/388665923.db2.gz XUCNXTSVKCSLAO-UHFFFAOYSA-N 2 2 219.288 0.876 20 30 BCEDLP C#C[C@@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229875761 388802149 /nfs/dbraw/zinc/80/21/49/388802149.db2.gz XIFWTESXTCHQCL-JTQLQIEISA-N 2 2 220.320 0.988 20 30 BCEDLP C=CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827625 134214625 /nfs/dbraw/zinc/21/46/25/134214625.db2.gz ANYMJWJYHHPAQF-GFCCVEGCSA-N 2 2 237.347 0.459 20 30 BCEDLP C=CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827625 134214626 /nfs/dbraw/zinc/21/46/26/134214626.db2.gz ANYMJWJYHHPAQF-GFCCVEGCSA-N 2 2 237.347 0.459 20 30 BCEDLP CNC(NCc1ccnc(-n2cc[nH+]c2)c1)=[NH+]C ZINC000303257582 134233399 /nfs/dbraw/zinc/23/33/99/134233399.db2.gz JQAYMXFXSFTFQK-UHFFFAOYSA-N 2 2 244.302 0.562 20 30 BCEDLP Cc1c[nH+]ccc1CCNC1=[NH+]CCN1C ZINC000262683068 135121000 /nfs/dbraw/zinc/12/10/00/135121000.db2.gz XDYUDVBEKDIYOM-UHFFFAOYSA-N 2 2 218.304 0.824 20 30 BCEDLP C#CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000078601937 135130654 /nfs/dbraw/zinc/13/06/54/135130654.db2.gz SNEDSQJTZWPXRL-CQSZACIVSA-N 2 2 235.375 0.722 20 30 BCEDLP C#CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000078601937 135130656 /nfs/dbraw/zinc/13/06/56/135130656.db2.gz SNEDSQJTZWPXRL-CQSZACIVSA-N 2 2 235.375 0.722 20 30 BCEDLP COC[C@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264121160 135134386 /nfs/dbraw/zinc/13/43/86/135134386.db2.gz RBFSQDBEDNLTSZ-JTQLQIEISA-N 2 2 239.323 0.212 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261559711 135200213 /nfs/dbraw/zinc/20/02/13/135200213.db2.gz TZIUQACDXBXONG-DGCLKSJQSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261559711 135200214 /nfs/dbraw/zinc/20/02/14/135200214.db2.gz TZIUQACDXBXONG-DGCLKSJQSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562981 135205023 /nfs/dbraw/zinc/20/50/23/135205023.db2.gz WUDZZRFANDOYLR-TUAOUCFPSA-N 2 2 237.347 0.361 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562981 135205025 /nfs/dbraw/zinc/20/50/25/135205025.db2.gz WUDZZRFANDOYLR-TUAOUCFPSA-N 2 2 237.347 0.361 20 30 BCEDLP CC(C)NC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000262026882 135273884 /nfs/dbraw/zinc/27/38/84/135273884.db2.gz ZUJUJFSNCWRKFF-UHFFFAOYSA-N 2 2 242.367 0.410 20 30 BCEDLP CC(C)NC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000262026882 135273885 /nfs/dbraw/zinc/27/38/85/135273885.db2.gz ZUJUJFSNCWRKFF-UHFFFAOYSA-N 2 2 242.367 0.410 20 30 BCEDLP C=CCOCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390616156 397897107 /nfs/dbraw/zinc/89/71/07/397897107.db2.gz CXVVIJYWPCFSTC-GFCCVEGCSA-N 2 2 228.336 0.234 20 30 BCEDLP C=CCOCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390616156 397897109 /nfs/dbraw/zinc/89/71/09/397897109.db2.gz CXVVIJYWPCFSTC-GFCCVEGCSA-N 2 2 228.336 0.234 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000392830537 398060264 /nfs/dbraw/zinc/06/02/64/398060264.db2.gz CASVAZABXPWEOC-UHFFFAOYSA-N 3 2 223.364 0.625 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000392830537 398060271 /nfs/dbraw/zinc/06/02/71/398060271.db2.gz CASVAZABXPWEOC-UHFFFAOYSA-N 3 2 223.364 0.625 20 30 BCEDLP C#CC[N@H+](C)CCCNC1CC[NH+](C)CC1 ZINC000392830537 398060273 /nfs/dbraw/zinc/06/02/73/398060273.db2.gz CASVAZABXPWEOC-UHFFFAOYSA-N 2 2 223.364 0.625 20 30 BCEDLP C#CC[N@@H+](C)CCCNC1CC[NH+](C)CC1 ZINC000392830537 398060276 /nfs/dbraw/zinc/06/02/76/398060276.db2.gz CASVAZABXPWEOC-UHFFFAOYSA-N 2 2 223.364 0.625 20 30 BCEDLP C=CCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643479664 398106851 /nfs/dbraw/zinc/10/68/51/398106851.db2.gz YZEVEVBADXNOFK-CHWSQXEVSA-N 2 2 240.347 0.546 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266912643 166366315 /nfs/dbraw/zinc/36/63/15/166366315.db2.gz JLRYLEXAXBGIPW-NSHDSACASA-N 2 2 248.330 0.891 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266912643 166366316 /nfs/dbraw/zinc/36/63/16/166366316.db2.gz JLRYLEXAXBGIPW-NSHDSACASA-N 2 2 248.330 0.891 20 30 BCEDLP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658334673 411343470 /nfs/dbraw/zinc/34/34/70/411343470.db2.gz RLHJGJGRZBIMLI-DGCLKSJQSA-N 2 2 240.347 0.376 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590498 411425743 /nfs/dbraw/zinc/42/57/43/411425743.db2.gz FKBGQSMKTYFEMF-GFCCVEGCSA-N 2 2 233.315 0.859 20 30 BCEDLP COCC#CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590498 411425746 /nfs/dbraw/zinc/42/57/46/411425746.db2.gz FKBGQSMKTYFEMF-GFCCVEGCSA-N 2 2 233.315 0.859 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@H](O)C[NH+](C)C(C)C ZINC000660404260 411465350 /nfs/dbraw/zinc/46/53/50/411465350.db2.gz XDQGYPFQQWSGRU-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@H](O)C[NH+](C)C(C)C ZINC000660404260 411465354 /nfs/dbraw/zinc/46/53/54/411465354.db2.gz XDQGYPFQQWSGRU-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](CCOC)C[C@H](O)C[N@H+](C)C(C)C ZINC000660404260 411465358 /nfs/dbraw/zinc/46/53/58/411465358.db2.gz XDQGYPFQQWSGRU-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](CCOC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660404260 411465360 /nfs/dbraw/zinc/46/53/60/411465360.db2.gz XDQGYPFQQWSGRU-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000657658509 411572547 /nfs/dbraw/zinc/57/25/47/411572547.db2.gz ZYAYDJKLOPEHCQ-CYBMUJFWSA-N 2 2 242.363 0.889 20 30 BCEDLP C=CCOCCC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000657658509 411572548 /nfs/dbraw/zinc/57/25/48/411572548.db2.gz ZYAYDJKLOPEHCQ-CYBMUJFWSA-N 2 2 242.363 0.889 20 30 BCEDLP CC#CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660646291 411612059 /nfs/dbraw/zinc/61/20/59/411612059.db2.gz HTOLOJQKUBMBGO-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP CC#CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660646291 411612061 /nfs/dbraw/zinc/61/20/61/411612061.db2.gz HTOLOJQKUBMBGO-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP CC#CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660646291 411612063 /nfs/dbraw/zinc/61/20/63/411612063.db2.gz HTOLOJQKUBMBGO-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP CC#CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660646291 411612064 /nfs/dbraw/zinc/61/20/64/411612064.db2.gz HTOLOJQKUBMBGO-LBPRGKRZSA-N 2 2 212.337 0.643 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)COC ZINC000661239768 411739121 /nfs/dbraw/zinc/73/91/21/411739121.db2.gz JBPVWOLAELJWJV-QWHCGFSZSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)COC ZINC000661239768 411739125 /nfs/dbraw/zinc/73/91/25/411739125.db2.gz JBPVWOLAELJWJV-QWHCGFSZSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H](C)COC ZINC000661239768 411739126 /nfs/dbraw/zinc/73/91/26/411739126.db2.gz JBPVWOLAELJWJV-QWHCGFSZSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H](C)COC ZINC000661239768 411739130 /nfs/dbraw/zinc/73/91/30/411739130.db2.gz JBPVWOLAELJWJV-QWHCGFSZSA-N 2 2 244.379 0.822 20 30 BCEDLP C#CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761375 588700853 /nfs/dbraw/zinc/70/08/53/588700853.db2.gz VIMPGVZRZRTUJC-LBPRGKRZSA-N 2 2 210.321 0.662 20 30 BCEDLP C=CCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564465421 322961150 /nfs/dbraw/zinc/96/11/50/322961150.db2.gz NSNMTHSRKATXIG-UHFFFAOYSA-N 2 2 236.319 0.734 20 30 BCEDLP C=CC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000566496156 323003095 /nfs/dbraw/zinc/00/30/95/323003095.db2.gz CBMOLVVVPKPBBV-JTQLQIEISA-N 2 2 209.293 0.755 20 30 BCEDLP C[C@H](C#N)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571316011 323141194 /nfs/dbraw/zinc/14/11/94/323141194.db2.gz RMFZVZWGHZGVGL-KOLCDFICSA-N 2 2 211.309 0.191 20 30 BCEDLP C[C@H](C#N)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571316011 323141195 /nfs/dbraw/zinc/14/11/95/323141195.db2.gz RMFZVZWGHZGVGL-KOLCDFICSA-N 2 2 211.309 0.191 20 30 BCEDLP C=CC[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000320934842 323326824 /nfs/dbraw/zinc/32/68/24/323326824.db2.gz FFIYLAGYRBKNSY-SNVBAGLBSA-N 2 2 238.335 0.513 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000677817333 491138521 /nfs/dbraw/zinc/13/85/21/491138521.db2.gz KCTJLWJAEPIHHQ-LBPRGKRZSA-N 2 2 210.321 0.520 20 30 BCEDLP COCC#CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000677817333 491138522 /nfs/dbraw/zinc/13/85/22/491138522.db2.gz KCTJLWJAEPIHHQ-LBPRGKRZSA-N 2 2 210.321 0.520 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000261580699 534859805 /nfs/dbraw/zinc/85/98/05/534859805.db2.gz NCNMYZFGXZMWRT-NSHDSACASA-N 2 2 211.309 0.006 20 30 BCEDLP CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264065590 536305094 /nfs/dbraw/zinc/30/50/94/536305094.db2.gz BANLGYBPDDZNJD-UHFFFAOYSA-N 2 2 244.302 0.610 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000853114595 588721593 /nfs/dbraw/zinc/72/15/93/588721593.db2.gz XOGZNVYWZHCHQL-GFCCVEGCSA-N 2 2 237.347 0.200 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000853114595 588721594 /nfs/dbraw/zinc/72/15/94/588721594.db2.gz XOGZNVYWZHCHQL-GFCCVEGCSA-N 2 2 237.347 0.200 20 30 BCEDLP Cc1[nH+]cc(C=NN2CC[NH+](C)CC2)n1C ZINC000853256335 588729677 /nfs/dbraw/zinc/72/96/77/588729677.db2.gz PFKACWSANNHLOG-UHFFFAOYSA-N 2 2 221.308 0.310 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595393 588796387 /nfs/dbraw/zinc/79/63/87/588796387.db2.gz YPSHTMPHYCRDGQ-SECBINFHSA-N 2 2 222.292 0.705 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140891 583472896 /nfs/dbraw/zinc/47/28/96/583472896.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140891 583472898 /nfs/dbraw/zinc/47/28/98/583472898.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140891 583472900 /nfs/dbraw/zinc/47/29/00/583472900.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140891 583472902 /nfs/dbraw/zinc/47/29/02/583472902.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000894863509 583535897 /nfs/dbraw/zinc/53/58/97/583535897.db2.gz GQODIGRSASQFBR-UHFFFAOYSA-N 2 2 242.326 0.998 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000894863509 583535899 /nfs/dbraw/zinc/53/58/99/583535899.db2.gz GQODIGRSASQFBR-UHFFFAOYSA-N 2 2 242.326 0.998 20 30 BCEDLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000895078226 583582153 /nfs/dbraw/zinc/58/21/53/583582153.db2.gz FMQVKYJGDHXYTF-ZDUSSCGKSA-N 2 2 246.314 0.823 20 30 BCEDLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000895078226 583582154 /nfs/dbraw/zinc/58/21/54/583582154.db2.gz FMQVKYJGDHXYTF-ZDUSSCGKSA-N 2 2 246.314 0.823 20 30 BCEDLP CC[NH+]1CCC([NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895162421 583610883 /nfs/dbraw/zinc/61/08/83/583610883.db2.gz ZFIFQFKHJMFVLJ-LLVKDONJSA-N 2 2 241.335 0.441 20 30 BCEDLP C#CC[C@H](CCOC)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895416364 583667363 /nfs/dbraw/zinc/66/73/63/583667363.db2.gz VFBUQMUZWJHERC-SNVBAGLBSA-N 2 2 207.277 0.928 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857945173 588925014 /nfs/dbraw/zinc/92/50/14/588925014.db2.gz SABLYFMQGAEJDH-LLVKDONJSA-N 2 2 248.330 0.432 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472983 584776189 /nfs/dbraw/zinc/77/61/89/584776189.db2.gz YJJMTNRJKFBROE-RYUDHWBXSA-N 2 2 249.358 0.648 20 30 BCEDLP C[C@]1(C#N)C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903708095 584791535 /nfs/dbraw/zinc/79/15/35/584791535.db2.gz XQVWJLNHIIEHOX-LBPRGKRZSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@]1(C#N)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903708095 584791536 /nfs/dbraw/zinc/79/15/36/584791536.db2.gz XQVWJLNHIIEHOX-LBPRGKRZSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@@]1(C#N)C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903825045 584804572 /nfs/dbraw/zinc/80/45/72/584804572.db2.gz XJWWTEOJZVAQMU-VXGBXAGGSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@@]1(C#N)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903825045 584804573 /nfs/dbraw/zinc/80/45/73/584804573.db2.gz XJWWTEOJZVAQMU-VXGBXAGGSA-N 2 2 223.320 0.600 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000730281499 584898877 /nfs/dbraw/zinc/89/88/77/584898877.db2.gz YUDOZPUANODKOV-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000730281499 584898878 /nfs/dbraw/zinc/89/88/78/584898878.db2.gz YUDOZPUANODKOV-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000730281499 584898879 /nfs/dbraw/zinc/89/88/79/584898879.db2.gz YUDOZPUANODKOV-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000730281499 584898880 /nfs/dbraw/zinc/89/88/80/584898880.db2.gz YUDOZPUANODKOV-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C[C@@H](CO)N(C)[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000842541521 584901773 /nfs/dbraw/zinc/90/17/73/584901773.db2.gz IPCFFLUMNRLKAC-JTQLQIEISA-N 2 2 236.319 0.794 20 30 BCEDLP C#CCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000742398444 585125849 /nfs/dbraw/zinc/12/58/49/585125849.db2.gz XPLPGYIDXZEDOJ-UHFFFAOYSA-N 2 2 230.315 0.930 20 30 BCEDLP CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000762725816 585436485 /nfs/dbraw/zinc/43/64/85/585436485.db2.gz QLXWSVBQUKCBDW-UHFFFAOYSA-N 2 2 249.314 0.786 20 30 BCEDLP C#CCOCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000775999796 585689333 /nfs/dbraw/zinc/68/93/33/585689333.db2.gz KBGZQJUOLBTJRP-UHFFFAOYSA-N 2 2 221.304 0.855 20 30 BCEDLP C#CCOCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000775999796 585689334 /nfs/dbraw/zinc/68/93/34/585689334.db2.gz KBGZQJUOLBTJRP-UHFFFAOYSA-N 2 2 221.304 0.855 20 30 BCEDLP C=CC[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000777544135 585714935 /nfs/dbraw/zinc/71/49/35/585714935.db2.gz DZNWKTLIIMYWSH-LLVKDONJSA-N 2 2 248.330 0.811 20 30 BCEDLP C=CC[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000777544135 585714936 /nfs/dbraw/zinc/71/49/36/585714936.db2.gz DZNWKTLIIMYWSH-LLVKDONJSA-N 2 2 248.330 0.811 20 30 BCEDLP C[C@@H]1C[NH+]=C(NN=Cc2cccc3[nH+]ccn32)N1 ZINC000779800452 585764740 /nfs/dbraw/zinc/76/47/40/585764740.db2.gz NLZHFBDVUWPPPY-SECBINFHSA-N 2 2 242.286 0.606 20 30 BCEDLP NC(=[NH2+])N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000792843865 586005807 /nfs/dbraw/zinc/00/58/07/586005807.db2.gz DEKLEPKHEPCFMW-UHFFFAOYSA-N 2 2 247.302 0.340 20 30 BCEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809577704 586507698 /nfs/dbraw/zinc/50/76/98/586507698.db2.gz ZWLWADLVCGDOGY-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809577704 586507701 /nfs/dbraw/zinc/50/77/01/586507701.db2.gz ZWLWADLVCGDOGY-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000809577704 586507702 /nfs/dbraw/zinc/50/77/02/586507702.db2.gz ZWLWADLVCGDOGY-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000809577704 586507704 /nfs/dbraw/zinc/50/77/04/586507704.db2.gz ZWLWADLVCGDOGY-QWHCGFSZSA-N 2 2 239.363 0.925 20 30 BCEDLP C=CC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826656606 587358146 /nfs/dbraw/zinc/35/81/46/587358146.db2.gz SKECESRAFIQWOX-UHFFFAOYSA-N 2 2 248.330 0.719 20 30 BCEDLP C[C@H](O)CN(C)[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000841649524 587966922 /nfs/dbraw/zinc/96/69/22/587966922.db2.gz CRAOFGMDWJEFSH-JTQLQIEISA-N 2 2 236.319 0.794 20 30 BCEDLP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)n1cc[nH+]c1 ZINC000846677488 588282380 /nfs/dbraw/zinc/28/23/80/588282380.db2.gz NEEXNCGNTHROET-GMTAPVOTSA-N 2 2 247.302 0.062 20 30 BCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000846856865 588293767 /nfs/dbraw/zinc/29/37/67/588293767.db2.gz DMSOPPVGUWSSJJ-RWMBFGLXSA-N 2 2 240.347 0.069 20 30 BCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@H]1CCCO1 ZINC000846856865 588293768 /nfs/dbraw/zinc/29/37/68/588293768.db2.gz DMSOPPVGUWSSJJ-RWMBFGLXSA-N 2 2 240.347 0.069 20 30 BCEDLP C[C@@H](C#N)OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846875466 588294978 /nfs/dbraw/zinc/29/49/78/588294978.db2.gz HSIITULJQPADID-NSHDSACASA-N 2 2 249.318 0.460 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000846996312 588300857 /nfs/dbraw/zinc/30/08/57/588300857.db2.gz WGQAYNNVMDLJLX-RYUDHWBXSA-N 2 2 225.336 0.725 20 30 BCEDLP C#C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848910545 588419133 /nfs/dbraw/zinc/41/91/33/588419133.db2.gz MBWAVZXJTJTXMO-YPMHNXCESA-N 2 2 222.332 0.851 20 30 BCEDLP C#C[C@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@@H]1CCCO1 ZINC000850251100 588532060 /nfs/dbraw/zinc/53/20/60/588532060.db2.gz LVNSNOZEUVYYKJ-STQMWFEESA-N 2 2 233.315 0.999 20 30 BCEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000851938170 588646312 /nfs/dbraw/zinc/64/63/12/588646312.db2.gz LASULUDEBXGINV-ZDUSSCGKSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000851938170 588646313 /nfs/dbraw/zinc/64/63/13/588646313.db2.gz LASULUDEBXGINV-ZDUSSCGKSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000851938170 588646314 /nfs/dbraw/zinc/64/63/14/588646314.db2.gz LASULUDEBXGINV-ZDUSSCGKSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000851938170 588646315 /nfs/dbraw/zinc/64/63/15/588646315.db2.gz LASULUDEBXGINV-ZDUSSCGKSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852123723 588665334 /nfs/dbraw/zinc/66/53/34/588665334.db2.gz YHJRIBCSKGJPJO-UHFFFAOYSA-N 2 2 224.348 0.692 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852710129 588696935 /nfs/dbraw/zinc/69/69/35/588696935.db2.gz KXYVMRIIFBCLRK-GFCCVEGCSA-N 2 2 208.305 0.151 20 30 BCEDLP C#CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852710129 588696936 /nfs/dbraw/zinc/69/69/36/588696936.db2.gz KXYVMRIIFBCLRK-GFCCVEGCSA-N 2 2 208.305 0.151 20 30 BCEDLP C#CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761375 588700852 /nfs/dbraw/zinc/70/08/52/588700852.db2.gz VIMPGVZRZRTUJC-LBPRGKRZSA-N 2 2 210.321 0.662 20 30 BCEDLP C[C@@H]1C(=NNCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000872387439 589930310 /nfs/dbraw/zinc/93/03/10/589930310.db2.gz NIEIFSYYKBUQRL-LLVKDONJSA-N 2 2 235.335 0.943 20 30 BCEDLP C[C@@H]1C(=NNCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000872387439 589930311 /nfs/dbraw/zinc/93/03/11/589930311.db2.gz NIEIFSYYKBUQRL-LLVKDONJSA-N 2 2 235.335 0.943 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000125218233 590156559 /nfs/dbraw/zinc/15/65/59/590156559.db2.gz LYLRNJKZOMMOFZ-LBPRGKRZSA-N 2 2 237.347 0.104 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000877233473 590302060 /nfs/dbraw/zinc/30/20/60/590302060.db2.gz UMAYZICYLIJTOZ-MRVPVSSYSA-N 2 2 242.710 0.838 20 30 BCEDLP CC(C)(O)C[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000877482592 590338122 /nfs/dbraw/zinc/33/81/22/590338122.db2.gz DOMROJQZMJODLK-UHFFFAOYSA-N 2 2 225.336 0.725 20 30 BCEDLP C#CCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879355559 590752428 /nfs/dbraw/zinc/75/24/28/590752428.db2.gz FOOICPMMULAINV-UHFFFAOYSA-N 2 2 237.347 0.106 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569377 590807129 /nfs/dbraw/zinc/80/71/29/590807129.db2.gz OFRFPAQIGFRVPJ-XQQFMLRXSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569377 590807131 /nfs/dbraw/zinc/80/71/31/590807131.db2.gz OFRFPAQIGFRVPJ-XQQFMLRXSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569377 590807134 /nfs/dbraw/zinc/80/71/34/590807134.db2.gz OFRFPAQIGFRVPJ-XQQFMLRXSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569377 590807137 /nfs/dbraw/zinc/80/71/37/590807137.db2.gz OFRFPAQIGFRVPJ-XQQFMLRXSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(CC)n1 ZINC000883131184 591546328 /nfs/dbraw/zinc/54/63/28/591546328.db2.gz MFNSNZCQPSGBOJ-UHFFFAOYSA-N 2 2 235.335 0.343 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(CC)n1 ZINC000883131184 591546330 /nfs/dbraw/zinc/54/63/30/591546330.db2.gz MFNSNZCQPSGBOJ-UHFFFAOYSA-N 2 2 235.335 0.343 20 30 BCEDLP C=CC(C)(C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000884041884 591823765 /nfs/dbraw/zinc/82/37/65/591823765.db2.gz KABQJECZZCDRLO-NSHDSACASA-N 2 2 239.363 0.690 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]N1CCC[C@H]1CO ZINC000841662462 635182579 /nfs/dbraw/zinc/18/25/79/635182579.db2.gz WWXSEGOZDXHDCD-LBPRGKRZSA-N 2 2 248.330 0.938 20 30 BCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989486512 636857982 /nfs/dbraw/zinc/85/79/82/636857982.db2.gz DRGNKSGMLROWBF-PWSUYJOCSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989488264 636859704 /nfs/dbraw/zinc/85/97/04/636859704.db2.gz QOOPAICZGUFHPR-ZYHUDNBSSA-N 2 2 248.330 0.717 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989610000 636867731 /nfs/dbraw/zinc/86/77/31/636867731.db2.gz VNJZQKVPPFZQDZ-QWRGUYRKSA-N 2 2 248.330 0.717 20 30 BCEDLP N#C[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787416 637381873 /nfs/dbraw/zinc/38/18/73/637381873.db2.gz WBSWOAZLEDHWQT-BFHYXJOUSA-N 2 2 249.358 0.991 20 30 BCEDLP N#C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787416 637381877 /nfs/dbraw/zinc/38/18/77/637381877.db2.gz WBSWOAZLEDHWQT-BFHYXJOUSA-N 2 2 249.358 0.991 20 30 BCEDLP N#C[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787419 637382150 /nfs/dbraw/zinc/38/21/50/637382150.db2.gz WBSWOAZLEDHWQT-MJBXVCDLSA-N 2 2 249.358 0.991 20 30 BCEDLP N#C[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787419 637382158 /nfs/dbraw/zinc/38/21/58/637382158.db2.gz WBSWOAZLEDHWQT-MJBXVCDLSA-N 2 2 249.358 0.991 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000949314806 641837232 /nfs/dbraw/zinc/83/72/32/641837232.db2.gz VJMLBPXAKKHSBN-UHFFFAOYSA-N 2 2 248.330 0.522 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031390075 642057715 /nfs/dbraw/zinc/05/77/15/642057715.db2.gz HKJURPOVSRHFKT-UHFFFAOYSA-N 2 2 248.330 0.568 20 30 BCEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939407238 642868684 /nfs/dbraw/zinc/86/86/84/642868684.db2.gz AGRFONJJFOIWIR-MNOVXSKESA-N 2 2 248.330 0.575 20 30 BCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939407607 642869845 /nfs/dbraw/zinc/86/98/45/642869845.db2.gz GTGWUQGYZACKLN-QWRGUYRKSA-N 2 2 246.314 0.022 20 30 BCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105025 642947527 /nfs/dbraw/zinc/94/75/27/642947527.db2.gz BGXSORHOIHQZKJ-LLVKDONJSA-N 2 2 248.330 0.637 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105025 642947531 /nfs/dbraw/zinc/94/75/31/642947531.db2.gz BGXSORHOIHQZKJ-LLVKDONJSA-N 2 2 248.330 0.637 20 30 BCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394229 642953235 /nfs/dbraw/zinc/95/32/35/642953235.db2.gz LXJRRDIIZMUVNF-NSHDSACASA-N 2 2 234.303 0.260 20 30 BCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259744 642954619 /nfs/dbraw/zinc/95/46/19/642954619.db2.gz WMKBQRBEPUUIQK-GFCCVEGCSA-N 2 2 246.314 0.015 20 30 BCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394695 642955818 /nfs/dbraw/zinc/95/58/18/642955818.db2.gz ROOYEQAAFJSXCO-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019212797 643023532 /nfs/dbraw/zinc/02/35/32/643023532.db2.gz MOZFPUGPUVBAEH-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019436932 643033857 /nfs/dbraw/zinc/03/38/57/643033857.db2.gz APFXHYWKWLRQLA-JTQLQIEISA-N 2 2 234.303 0.329 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001019655133 643038470 /nfs/dbraw/zinc/03/84/70/643038470.db2.gz KRLAMSJORKWNIT-NSHDSACASA-N 2 2 248.330 0.339 20 30 BCEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020633312 643245659 /nfs/dbraw/zinc/24/56/59/643245659.db2.gz FWPFEWZXFNOIIL-XYPYZODXSA-N 2 2 248.330 0.765 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923474895 644453871 /nfs/dbraw/zinc/45/38/71/644453871.db2.gz WWFGKWRZTZWCRE-VXGBXAGGSA-N 2 2 228.336 0.099 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923474895 644453876 /nfs/dbraw/zinc/45/38/76/644453876.db2.gz WWFGKWRZTZWCRE-VXGBXAGGSA-N 2 2 228.336 0.099 20 30 BCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000923552012 644496324 /nfs/dbraw/zinc/49/63/24/644496324.db2.gz RYYCHUKDWVHBSJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000923552012 644496331 /nfs/dbraw/zinc/49/63/31/644496331.db2.gz RYYCHUKDWVHBSJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000923552012 644496333 /nfs/dbraw/zinc/49/63/33/644496333.db2.gz RYYCHUKDWVHBSJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000923552012 644496340 /nfs/dbraw/zinc/49/63/40/644496340.db2.gz RYYCHUKDWVHBSJ-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038094904 711840667 /nfs/dbraw/zinc/84/06/67/711840667.db2.gz IKOOGELUCGNYBW-NWDGAFQWSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038094904 711840668 /nfs/dbraw/zinc/84/06/68/711840668.db2.gz IKOOGELUCGNYBW-NWDGAFQWSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038094904 711840669 /nfs/dbraw/zinc/84/06/69/711840669.db2.gz IKOOGELUCGNYBW-NWDGAFQWSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038094904 711840671 /nfs/dbraw/zinc/84/06/71/711840671.db2.gz IKOOGELUCGNYBW-NWDGAFQWSA-N 2 2 237.347 0.457 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000384192592 710813581 /nfs/dbraw/zinc/81/35/81/710813581.db2.gz HTTSSQMYOFZLIE-ZDUSSCGKSA-N 2 2 237.347 0.152 20 30 BCEDLP C=CCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043976471 710816643 /nfs/dbraw/zinc/81/66/43/710816643.db2.gz OSALGCGMMMKJQH-UHFFFAOYSA-N 2 2 248.330 0.671 20 30 BCEDLP C=CCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044368385 710825060 /nfs/dbraw/zinc/82/50/60/710825060.db2.gz PBBTWEKTRBJPKF-UHFFFAOYSA-N 2 2 248.330 0.602 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000384130154 710988984 /nfs/dbraw/zinc/98/89/84/710988984.db2.gz AIXDSUOYPCTWHX-RYUDHWBXSA-N 2 2 212.337 0.691 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000384130154 710988988 /nfs/dbraw/zinc/98/89/88/710988988.db2.gz AIXDSUOYPCTWHX-RYUDHWBXSA-N 2 2 212.337 0.691 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncnc1 ZINC000392815129 711152222 /nfs/dbraw/zinc/15/22/22/711152222.db2.gz OWOGETJKTDEFAY-UHFFFAOYSA-N 2 2 218.304 0.521 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncnc1 ZINC000392815129 711152226 /nfs/dbraw/zinc/15/22/26/711152226.db2.gz OWOGETJKTDEFAY-UHFFFAOYSA-N 2 2 218.304 0.521 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)cnn1C ZINC000394828518 711198460 /nfs/dbraw/zinc/19/84/60/711198460.db2.gz LWAWRDIMOPZDKE-UHFFFAOYSA-N 2 2 234.347 0.773 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)cnn1C ZINC000394828518 711198461 /nfs/dbraw/zinc/19/84/61/711198461.db2.gz LWAWRDIMOPZDKE-UHFFFAOYSA-N 2 2 234.347 0.773 20 30 BCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783829 711939809 /nfs/dbraw/zinc/93/98/09/711939809.db2.gz UUOSEDMYEUGKEU-STQMWFEESA-N 2 2 249.358 0.553 20 30 BCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783829 711939812 /nfs/dbraw/zinc/93/98/12/711939812.db2.gz UUOSEDMYEUGKEU-STQMWFEESA-N 2 2 249.358 0.553 20 30 BCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079493582 712349179 /nfs/dbraw/zinc/34/91/79/712349179.db2.gz XMTPENJTRTUYKJ-JHJVBQTASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079493582 712349180 /nfs/dbraw/zinc/34/91/80/712349180.db2.gz XMTPENJTRTUYKJ-JHJVBQTASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079493582 712349183 /nfs/dbraw/zinc/34/91/83/712349183.db2.gz XMTPENJTRTUYKJ-JHJVBQTASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079493582 712349184 /nfs/dbraw/zinc/34/91/84/712349184.db2.gz XMTPENJTRTUYKJ-JHJVBQTASA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[C@H](COC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000716828427 712577124 /nfs/dbraw/zinc/57/71/24/712577124.db2.gz LBWYTRHFRRBAHP-DGCLKSJQSA-N 2 2 240.347 0.069 20 30 BCEDLP C#CC[C@H](COC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000716828427 712577126 /nfs/dbraw/zinc/57/71/26/712577126.db2.gz LBWYTRHFRRBAHP-DGCLKSJQSA-N 2 2 240.347 0.069 20 30 BCEDLP C=CC[NH+]1CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001165031533 721866912 /nfs/dbraw/zinc/86/69/12/721866912.db2.gz NEOMDNOTLZBELB-UHFFFAOYSA-N 2 2 245.330 0.388 20 30 BCEDLP Cc1c[nH+]cn1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602332501 349508765 /nfs/dbraw/zinc/50/87/65/349508765.db2.gz KNKHOHJYQILNIT-LBPRGKRZSA-N 2 2 249.318 0.152 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424289753 398179222 /nfs/dbraw/zinc/17/92/22/398179222.db2.gz MMFVDAAQFVZWTJ-UTUOFQBUSA-N 2 2 237.347 0.633 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)nn1 ZINC000424291600 398180409 /nfs/dbraw/zinc/18/04/09/398180409.db2.gz DVHNERMDNOBEEG-DGCLKSJQSA-N 2 2 249.362 0.894 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)nn1 ZINC000424291600 398180413 /nfs/dbraw/zinc/18/04/13/398180413.db2.gz DVHNERMDNOBEEG-DGCLKSJQSA-N 2 2 249.362 0.894 20 30 BCEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309582556 342715720 /nfs/dbraw/zinc/71/57/20/342715720.db2.gz QVSFJCYQHSFEPS-AOOOYVTPSA-N 2 2 217.272 0.802 20 30 BCEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309582556 342715721 /nfs/dbraw/zinc/71/57/21/342715721.db2.gz QVSFJCYQHSFEPS-AOOOYVTPSA-N 2 2 217.272 0.802 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133610965 343185273 /nfs/dbraw/zinc/18/52/73/343185273.db2.gz DOMNVKLATXAPMP-ZJUUUORDSA-N 2 2 211.309 0.100 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133610965 343185275 /nfs/dbraw/zinc/18/52/75/343185275.db2.gz DOMNVKLATXAPMP-ZJUUUORDSA-N 2 2 211.309 0.100 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133610768 343185355 /nfs/dbraw/zinc/18/53/55/343185355.db2.gz DOMNVKLATXAPMP-VHSXEESVSA-N 2 2 211.309 0.100 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133610768 343185357 /nfs/dbraw/zinc/18/53/57/343185357.db2.gz DOMNVKLATXAPMP-VHSXEESVSA-N 2 2 211.309 0.100 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000580583295 365793824 /nfs/dbraw/zinc/79/38/24/365793824.db2.gz WGGFRBZYCZUYND-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000580583295 365793828 /nfs/dbraw/zinc/79/38/28/365793828.db2.gz WGGFRBZYCZUYND-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000580583295 365793833 /nfs/dbraw/zinc/79/38/33/365793833.db2.gz WGGFRBZYCZUYND-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000580583295 365793838 /nfs/dbraw/zinc/79/38/38/365793838.db2.gz WGGFRBZYCZUYND-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584113962 343759494 /nfs/dbraw/zinc/75/94/94/343759494.db2.gz TVZIYICJMCZVIW-ZDUSSCGKSA-N 2 2 237.347 0.364 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584113962 343759495 /nfs/dbraw/zinc/75/94/95/343759495.db2.gz TVZIYICJMCZVIW-ZDUSSCGKSA-N 2 2 237.347 0.364 20 30 BCEDLP C[C@H](C#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600729059 344364095 /nfs/dbraw/zinc/36/40/95/344364095.db2.gz WKSNRWXYIKDURL-MNOVXSKESA-N 2 2 211.309 0.192 20 30 BCEDLP CC#CC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000119313851 344845069 /nfs/dbraw/zinc/84/50/69/344845069.db2.gz CDFQCMISHZIOOL-UHFFFAOYSA-N 2 2 232.331 0.561 20 30 BCEDLP CC#CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000119313851 344845071 /nfs/dbraw/zinc/84/50/71/344845071.db2.gz CDFQCMISHZIOOL-UHFFFAOYSA-N 2 2 232.331 0.561 20 30 BCEDLP C#CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364548419 347461973 /nfs/dbraw/zinc/46/19/73/347461973.db2.gz VIWRLAMJZGMDER-ZDUSSCGKSA-N 2 2 221.348 0.331 20 30 BCEDLP C#CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364548419 347461975 /nfs/dbraw/zinc/46/19/75/347461975.db2.gz VIWRLAMJZGMDER-ZDUSSCGKSA-N 2 2 221.348 0.331 20 30 BCEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc[nH+]cc1O ZINC000594469368 348053930 /nfs/dbraw/zinc/05/39/30/348053930.db2.gz VSRZJBHVCOIEBT-SECBINFHSA-N 2 2 248.286 0.559 20 30 BCEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)[NH+](C)C ZINC000309006589 323184215 /nfs/dbraw/zinc/18/42/15/323184215.db2.gz QBBRCSMPALWQMG-WDEREUQCSA-N 2 2 208.309 0.970 20 30 BCEDLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595904659 348395951 /nfs/dbraw/zinc/39/59/51/348395951.db2.gz KCDYXPLYNVAAMY-MNOVXSKESA-N 2 2 211.309 0.192 20 30 BCEDLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595904659 348395954 /nfs/dbraw/zinc/39/59/54/348395954.db2.gz KCDYXPLYNVAAMY-MNOVXSKESA-N 2 2 211.309 0.192 20 30 BCEDLP N#CC[C@@]1(O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000597155444 348665929 /nfs/dbraw/zinc/66/59/29/348665929.db2.gz IJTKIQVFMGHFNA-CYBMUJFWSA-N 2 2 246.314 0.680 20 30 BCEDLP N#CC[C@@]1(O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000597155444 348665931 /nfs/dbraw/zinc/66/59/31/348665931.db2.gz IJTKIQVFMGHFNA-CYBMUJFWSA-N 2 2 246.314 0.680 20 30 BCEDLP C[C@@H](C#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989562 348851443 /nfs/dbraw/zinc/85/14/43/348851443.db2.gz GFELRSRMWMSFBK-NSHDSACASA-N 2 2 240.351 0.146 20 30 BCEDLP C[C@@H](C#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989562 348851447 /nfs/dbraw/zinc/85/14/47/348851447.db2.gz GFELRSRMWMSFBK-NSHDSACASA-N 2 2 240.351 0.146 20 30 BCEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599091538 349091252 /nfs/dbraw/zinc/09/12/52/349091252.db2.gz BZWOVGWMJZIRRO-AVGNSLFASA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599091538 349091257 /nfs/dbraw/zinc/09/12/57/349091257.db2.gz BZWOVGWMJZIRRO-AVGNSLFASA-N 2 2 237.347 0.725 20 30 BCEDLP N#Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000090322587 363039573 /nfs/dbraw/zinc/03/95/73/363039573.db2.gz GBVCAPUWDUATPT-VXGBXAGGSA-N 2 2 228.299 0.604 20 30 BCEDLP CN1CC[NH+]=C1NCCCNc1cccc[nH+]1 ZINC000285062065 352019147 /nfs/dbraw/zinc/01/91/47/352019147.db2.gz LWNDPWKFIUADID-UHFFFAOYSA-N 2 2 233.319 0.775 20 30 BCEDLP CC#CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685582 491090503 /nfs/dbraw/zinc/09/05/03/491090503.db2.gz FMNLTKDVJMSPCW-UHFFFAOYSA-N 2 2 237.347 0.106 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420365850 192224178 /nfs/dbraw/zinc/22/41/78/192224178.db2.gz SUKOLTIWVPQLFK-LBPRGKRZSA-N 2 2 239.363 0.786 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420366268 192225413 /nfs/dbraw/zinc/22/54/13/192225413.db2.gz LZFMRFJLUPUCEI-WISYIIOYSA-N 2 2 239.363 0.653 20 30 BCEDLP CC#CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000360454194 134200336 /nfs/dbraw/zinc/20/03/36/134200336.db2.gz IIOAMXTZCKBVJT-UHFFFAOYSA-N 2 2 224.348 0.788 20 30 BCEDLP CC#CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000360454194 134200337 /nfs/dbraw/zinc/20/03/37/134200337.db2.gz IIOAMXTZCKBVJT-UHFFFAOYSA-N 2 2 224.348 0.788 20 30 BCEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677422 358065756 /nfs/dbraw/zinc/06/57/56/358065756.db2.gz FHTAWKSCBXFBMR-YPMHNXCESA-N 2 2 236.363 0.514 20 30 BCEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677422 358065759 /nfs/dbraw/zinc/06/57/59/358065759.db2.gz FHTAWKSCBXFBMR-YPMHNXCESA-N 2 2 236.363 0.514 20 30 BCEDLP C=C(CC)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051093 358145755 /nfs/dbraw/zinc/14/57/55/358145755.db2.gz GLAXXSDAZZBCRX-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP C=C(CC)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051093 358145758 /nfs/dbraw/zinc/14/57/58/358145758.db2.gz GLAXXSDAZZBCRX-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP C[C@@H](C[NH2+]CCC#N)C[NH+]1CCOCC1 ZINC000578232613 366463348 /nfs/dbraw/zinc/46/33/48/366463348.db2.gz ZVNOHOZUPCUSLR-NSHDSACASA-N 2 2 211.309 0.458 20 30 BCEDLP N#CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000579943212 367094208 /nfs/dbraw/zinc/09/42/08/367094208.db2.gz GDOAWKKLMHCQFB-OLZOCXBDSA-N 2 2 237.347 0.867 20 30 BCEDLP C=C(CC)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567148956 326124531 /nfs/dbraw/zinc/12/45/31/326124531.db2.gz JCTVEPRFYUKDHY-NSHDSACASA-N 2 2 240.351 0.237 20 30 BCEDLP C=C(CC)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567148956 326124533 /nfs/dbraw/zinc/12/45/33/326124533.db2.gz JCTVEPRFYUKDHY-NSHDSACASA-N 2 2 240.351 0.237 20 30 BCEDLP C=C(CC)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567148955 326124629 /nfs/dbraw/zinc/12/46/29/326124629.db2.gz JCTVEPRFYUKDHY-LLVKDONJSA-N 2 2 240.351 0.237 20 30 BCEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000600768332 369562742 /nfs/dbraw/zinc/56/27/42/369562742.db2.gz HXSAENAHTFVEPA-SECBINFHSA-N 2 2 205.261 0.932 20 30 BCEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000600768332 369562744 /nfs/dbraw/zinc/56/27/44/369562744.db2.gz HXSAENAHTFVEPA-SECBINFHSA-N 2 2 205.261 0.932 20 30 BCEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000602495442 369795825 /nfs/dbraw/zinc/79/58/25/369795825.db2.gz UTQMIIZGRBZPCO-GHMZBOCLSA-N 2 2 228.299 0.604 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832405 372616001 /nfs/dbraw/zinc/61/60/01/372616001.db2.gz FKUJUNKRWFAJQP-RYUDHWBXSA-N 2 2 239.363 0.880 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832405 372616006 /nfs/dbraw/zinc/61/60/06/372616006.db2.gz FKUJUNKRWFAJQP-RYUDHWBXSA-N 2 2 239.363 0.880 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888401 372681307 /nfs/dbraw/zinc/68/13/07/372681307.db2.gz YPBWVCHGCUDRMO-VXGBXAGGSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888401 372681313 /nfs/dbraw/zinc/68/13/13/372681313.db2.gz YPBWVCHGCUDRMO-VXGBXAGGSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888396 372683024 /nfs/dbraw/zinc/68/30/24/372683024.db2.gz YPBWVCHGCUDRMO-NEPJUHHUSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888396 372683028 /nfs/dbraw/zinc/68/30/28/372683028.db2.gz YPBWVCHGCUDRMO-NEPJUHHUSA-N 2 2 237.347 0.363 20 30 BCEDLP COC[C@](C)([NH3+])CNc1cc(C)[nH+]cc1C#N ZINC000425228042 206021135 /nfs/dbraw/zinc/02/11/35/206021135.db2.gz OXESMNBOQHBSLW-GFCCVEGCSA-N 2 2 234.303 0.459 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849812 384176346 /nfs/dbraw/zinc/17/63/46/384176346.db2.gz ZIGYTJYBIGKZRW-JSGCOSHPSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849812 384176348 /nfs/dbraw/zinc/17/63/48/384176348.db2.gz ZIGYTJYBIGKZRW-JSGCOSHPSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367849812 384176351 /nfs/dbraw/zinc/17/63/51/384176351.db2.gz ZIGYTJYBIGKZRW-JSGCOSHPSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367849812 384176354 /nfs/dbraw/zinc/17/63/54/384176354.db2.gz ZIGYTJYBIGKZRW-JSGCOSHPSA-N 2 2 249.358 0.152 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564465331 384870841 /nfs/dbraw/zinc/87/08/41/384870841.db2.gz LDNUUHTZBGSLTM-CMPLNLGQSA-N 2 2 225.336 0.723 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000491677778 385467965 /nfs/dbraw/zinc/46/79/65/385467965.db2.gz ZSHJWUVKWFQVAA-UHFFFAOYSA-N 2 2 249.358 0.368 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000491677778 385467971 /nfs/dbraw/zinc/46/79/71/385467971.db2.gz ZSHJWUVKWFQVAA-UHFFFAOYSA-N 2 2 249.358 0.368 20 30 BCEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470821 385885618 /nfs/dbraw/zinc/88/56/18/385885618.db2.gz NPQKSVCRUIPLDP-QWRGUYRKSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC000123470821 385885621 /nfs/dbraw/zinc/88/56/21/385885621.db2.gz NPQKSVCRUIPLDP-QWRGUYRKSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470821 385885624 /nfs/dbraw/zinc/88/56/24/385885624.db2.gz NPQKSVCRUIPLDP-QWRGUYRKSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470821 385885626 /nfs/dbraw/zinc/88/56/26/385885626.db2.gz NPQKSVCRUIPLDP-QWRGUYRKSA-N 2 2 238.335 0.041 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647927111 385985611 /nfs/dbraw/zinc/98/56/11/385985611.db2.gz ZNMPPGGNTQICOF-SNVBAGLBSA-N 2 2 225.336 0.490 20 30 BCEDLP Cc1cc(NCCCC[NH3+])c(C#N)c[nH+]1 ZINC000398987364 386321958 /nfs/dbraw/zinc/32/19/58/386321958.db2.gz IELZOKLHALYCSP-UHFFFAOYSA-N 2 2 204.277 0.834 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@](C)(C[NH3+])C2CC2)C1=O ZINC000519827874 386565769 /nfs/dbraw/zinc/56/57/69/386565769.db2.gz VFVOWUCYDPJAOH-WCQYABFASA-N 2 2 237.347 0.490 20 30 BCEDLP N#CCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330364592 386676543 /nfs/dbraw/zinc/67/65/43/386676543.db2.gz SFHLKDFUNWQAPL-UHFFFAOYSA-N 2 2 233.319 0.831 20 30 BCEDLP C=C(C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761826 386870206 /nfs/dbraw/zinc/87/02/06/386870206.db2.gz AJTWOMMKFDCNPW-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP CC#CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000515307884 387361958 /nfs/dbraw/zinc/36/19/58/387361958.db2.gz AEQNZWAQVFLOAO-UHFFFAOYSA-N 2 2 224.348 0.835 20 30 BCEDLP C#CC[NH+](CC(O)C[N@H+](CC#C)C1CC1)C1CC1 ZINC000278342821 387553081 /nfs/dbraw/zinc/55/30/81/387553081.db2.gz MBXNONDOXSWVDL-UHFFFAOYSA-N 2 2 246.354 0.543 20 30 BCEDLP C#CC[NH+](CC(O)C[N@@H+](CC#C)C1CC1)C1CC1 ZINC000278342821 387553085 /nfs/dbraw/zinc/55/30/85/387553085.db2.gz MBXNONDOXSWVDL-UHFFFAOYSA-N 2 2 246.354 0.543 20 30 BCEDLP C=CCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643479671 387842930 /nfs/dbraw/zinc/84/29/30/387842930.db2.gz YZEVEVBADXNOFK-STQMWFEESA-N 2 2 240.347 0.546 20 30 BCEDLP C#CC[N@H+](CC#CC)CCn1cc[nH+]c1 ZINC000490871853 388257235 /nfs/dbraw/zinc/25/72/35/388257235.db2.gz CTAOYQADWNDCRO-UHFFFAOYSA-N 2 2 201.273 0.842 20 30 BCEDLP C#CC[N@@H+](CC#CC)CCn1cc[nH+]c1 ZINC000490871853 388257237 /nfs/dbraw/zinc/25/72/37/388257237.db2.gz CTAOYQADWNDCRO-UHFFFAOYSA-N 2 2 201.273 0.842 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CC1([NH+](C)C)CCC1 ZINC000491515000 388300341 /nfs/dbraw/zinc/30/03/41/388300341.db2.gz LAOHANHCBMODAY-UHFFFAOYSA-N 2 2 237.347 0.200 20 30 BCEDLP C#CCN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000491556593 388303810 /nfs/dbraw/zinc/30/38/10/388303810.db2.gz YJDXEPLLVHGGSM-UHFFFAOYSA-N 2 2 202.261 0.704 20 30 BCEDLP C#CC[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491693824 388311529 /nfs/dbraw/zinc/31/15/29/388311529.db2.gz LICRITZCKIRCEM-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491693824 388311530 /nfs/dbraw/zinc/31/15/30/388311530.db2.gz LICRITZCKIRCEM-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491693824 388311531 /nfs/dbraw/zinc/31/15/31/388311531.db2.gz LICRITZCKIRCEM-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491693824 388311532 /nfs/dbraw/zinc/31/15/32/388311532.db2.gz LICRITZCKIRCEM-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000491802504 388321352 /nfs/dbraw/zinc/32/13/52/388321352.db2.gz GPSZSCVVCORCNY-LBPRGKRZSA-N 2 2 219.288 0.607 20 30 BCEDLP C#C[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000491802504 388321353 /nfs/dbraw/zinc/32/13/53/388321353.db2.gz GPSZSCVVCORCNY-LBPRGKRZSA-N 2 2 219.288 0.607 20 30 BCEDLP CC#CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000565660472 388959722 /nfs/dbraw/zinc/95/97/22/388959722.db2.gz LETIJBGRLMPXTI-UHFFFAOYSA-N 2 2 236.359 0.836 20 30 BCEDLP C=CCOCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338975626 135049558 /nfs/dbraw/zinc/04/95/58/135049558.db2.gz VYERXPPKAHHRIY-UHFFFAOYSA-N 2 2 242.363 0.578 20 30 BCEDLP C=CCOCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338975626 135049562 /nfs/dbraw/zinc/04/95/62/135049562.db2.gz VYERXPPKAHHRIY-UHFFFAOYSA-N 2 2 242.363 0.578 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366560763 135093165 /nfs/dbraw/zinc/09/31/65/135093165.db2.gz RIRWLLSTTZDLNG-CYBMUJFWSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366560763 135093167 /nfs/dbraw/zinc/09/31/67/135093167.db2.gz RIRWLLSTTZDLNG-CYBMUJFWSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366560763 135093170 /nfs/dbraw/zinc/09/31/70/135093170.db2.gz RIRWLLSTTZDLNG-CYBMUJFWSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366560763 135093173 /nfs/dbraw/zinc/09/31/73/135093173.db2.gz RIRWLLSTTZDLNG-CYBMUJFWSA-N 2 2 237.347 0.316 20 30 BCEDLP CC[C@@H](C)NC(=[NH2+])NCc1c[nH+]cn1C ZINC000262415928 135118968 /nfs/dbraw/zinc/11/89/68/135118968.db2.gz YYBNBRVAULKEKJ-MRVPVSSYSA-N 2 2 209.297 0.623 20 30 BCEDLP CNC(NCCc1[nH]c2ccccc2[nH+]1)=[NH+]C ZINC000264125660 135134420 /nfs/dbraw/zinc/13/44/20/135134420.db2.gz SFBATIGLOUVWGY-UHFFFAOYSA-N 2 2 231.303 0.900 20 30 BCEDLP CNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267327837 135153334 /nfs/dbraw/zinc/15/33/34/135153334.db2.gz OCXYLAGYWKXERN-UHFFFAOYSA-N 2 2 238.310 0.792 20 30 BCEDLP CNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267327837 135153336 /nfs/dbraw/zinc/15/33/36/135153336.db2.gz OCXYLAGYWKXERN-UHFFFAOYSA-N 2 2 238.310 0.792 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561962 135203591 /nfs/dbraw/zinc/20/35/91/135203591.db2.gz VUUHTMIWXFYHHS-QJPTWQEYSA-N 2 2 237.347 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561962 135203592 /nfs/dbraw/zinc/20/35/92/135203592.db2.gz VUUHTMIWXFYHHS-QJPTWQEYSA-N 2 2 237.347 0.218 20 30 BCEDLP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCOC(C)(C)C2)N1 ZINC000262648088 135311167 /nfs/dbraw/zinc/31/11/67/135311167.db2.gz JRVCTDYIFARXEN-JTQLQIEISA-N 2 2 240.351 0.035 20 30 BCEDLP C[C@H]1C[NH+]=C(NCC[N@H+]2CCOC(C)(C)C2)N1 ZINC000262648088 135311169 /nfs/dbraw/zinc/31/11/69/135311169.db2.gz JRVCTDYIFARXEN-JTQLQIEISA-N 2 2 240.351 0.035 20 30 BCEDLP C=CC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653089725 409623308 /nfs/dbraw/zinc/62/33/08/409623308.db2.gz RWWSDBGKPOJVDJ-GFCCVEGCSA-N 2 2 239.363 0.690 20 30 BCEDLP C=CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653158904 410035940 /nfs/dbraw/zinc/03/59/40/410035940.db2.gz OXCLIUIFCADXGO-NSHDSACASA-N 2 2 225.336 0.442 20 30 BCEDLP C[N@H+](C[C@@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000591764697 411130343 /nfs/dbraw/zinc/13/03/43/411130343.db2.gz LXZFTDRWTPYUHH-NSHDSACASA-N 2 2 223.320 0.335 20 30 BCEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000591764697 411130344 /nfs/dbraw/zinc/13/03/44/411130344.db2.gz LXZFTDRWTPYUHH-NSHDSACASA-N 2 2 223.320 0.335 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122711483 411435088 /nfs/dbraw/zinc/43/50/88/411435088.db2.gz KIDARYKEBBMHMG-QWRGUYRKSA-N 2 2 225.336 0.348 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122711483 411435091 /nfs/dbraw/zinc/43/50/91/411435091.db2.gz KIDARYKEBBMHMG-QWRGUYRKSA-N 2 2 225.336 0.348 20 30 BCEDLP C=C[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657794817 411599587 /nfs/dbraw/zinc/59/95/87/411599587.db2.gz XCCRTMSDPZVAFD-SECBINFHSA-N 2 2 207.277 0.466 20 30 BCEDLP C=CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154987 412009117 /nfs/dbraw/zinc/00/91/17/412009117.db2.gz HXIHFIGYTALLOO-LBPRGKRZSA-N 2 2 210.321 0.703 20 30 BCEDLP C=CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154987 412009120 /nfs/dbraw/zinc/00/91/20/412009120.db2.gz HXIHFIGYTALLOO-LBPRGKRZSA-N 2 2 210.321 0.703 20 30 BCEDLP C=CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665237838 412178470 /nfs/dbraw/zinc/17/84/70/412178470.db2.gz KYADOZJJYWQKCT-NWDGAFQWSA-N 2 2 210.321 0.919 20 30 BCEDLP C=CC[C@]1(C(=O)NCc2[nH+]ccn2C)CCC[NH2+]1 ZINC000662718393 412282121 /nfs/dbraw/zinc/28/21/21/412282121.db2.gz ZOGDFBPHAGUHRQ-CYBMUJFWSA-N 2 2 248.330 0.735 20 30 BCEDLP C=CC[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000662790656 412304041 /nfs/dbraw/zinc/30/40/41/412304041.db2.gz DYMDWUSBDKMYJO-GFCCVEGCSA-N 2 2 234.303 0.724 20 30 BCEDLP C=CC[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000662790656 412304043 /nfs/dbraw/zinc/30/40/43/412304043.db2.gz DYMDWUSBDKMYJO-GFCCVEGCSA-N 2 2 234.303 0.724 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068791 323195822 /nfs/dbraw/zinc/19/58/22/323195822.db2.gz NOXVWJJOTKYQIH-NSHDSACASA-N 2 2 248.330 0.512 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068791 323195823 /nfs/dbraw/zinc/19/58/23/323195823.db2.gz NOXVWJJOTKYQIH-NSHDSACASA-N 2 2 248.330 0.512 20 30 BCEDLP C=C(CC)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567148955 326124627 /nfs/dbraw/zinc/12/46/27/326124627.db2.gz JCTVEPRFYUKDHY-LLVKDONJSA-N 2 2 240.351 0.237 20 30 BCEDLP C#CC[NH+](C)CC1(C[N@H+](C)CC#C)COC1 ZINC000491670561 526802127 /nfs/dbraw/zinc/80/21/27/526802127.db2.gz PDGYOPVPFPQOQW-UHFFFAOYSA-N 2 2 220.316 0.133 20 30 BCEDLP C#CC[NH+](C)CC1(C[N@@H+](C)CC#C)COC1 ZINC000491670561 526802130 /nfs/dbraw/zinc/80/21/30/526802130.db2.gz PDGYOPVPFPQOQW-UHFFFAOYSA-N 2 2 220.316 0.133 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135358 588823330 /nfs/dbraw/zinc/82/33/30/588823330.db2.gz ICIMHVBDTLEUBN-UHFFFAOYSA-N 2 2 222.292 0.486 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135358 588823331 /nfs/dbraw/zinc/82/33/31/588823331.db2.gz ICIMHVBDTLEUBN-UHFFFAOYSA-N 2 2 222.292 0.486 20 30 BCEDLP CN(C)C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N(C)C ZINC000849020480 582828346 /nfs/dbraw/zinc/82/83/46/582828346.db2.gz VZUMBORDFHRWEO-SNVBAGLBSA-N 2 2 235.335 0.677 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000893989166 583269884 /nfs/dbraw/zinc/26/98/84/583269884.db2.gz SQMSREXSVLBUKX-UHFFFAOYSA-N 2 2 247.346 0.910 20 30 BCEDLP C#CC[N@H+](C)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000893989166 583269888 /nfs/dbraw/zinc/26/98/88/583269888.db2.gz SQMSREXSVLBUKX-UHFFFAOYSA-N 2 2 247.346 0.910 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000893989166 583269891 /nfs/dbraw/zinc/26/98/91/583269891.db2.gz SQMSREXSVLBUKX-UHFFFAOYSA-N 2 2 247.346 0.910 20 30 BCEDLP C#CC[N@H+](C)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000893989166 583269894 /nfs/dbraw/zinc/26/98/94/583269894.db2.gz SQMSREXSVLBUKX-UHFFFAOYSA-N 2 2 247.346 0.910 20 30 BCEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159420 583609122 /nfs/dbraw/zinc/60/91/22/583609122.db2.gz VMCBYLAIGUBPEY-GMTAPVOTSA-N 2 2 241.335 0.439 20 30 BCEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@H+]1C ZINC000895159420 583609124 /nfs/dbraw/zinc/60/91/24/583609124.db2.gz VMCBYLAIGUBPEY-GMTAPVOTSA-N 2 2 241.335 0.439 20 30 BCEDLP C[NH+]1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895161845 583610264 /nfs/dbraw/zinc/61/02/64/583610264.db2.gz IAVDQTDKTZLHKS-JTQLQIEISA-N 2 2 227.308 0.050 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](Nc2nc(N)cc(C)[nH+]2)C1 ZINC000895203050 583624281 /nfs/dbraw/zinc/62/42/81/583624281.db2.gz VJPMYBVFNPPESV-LLVKDONJSA-N 2 2 245.330 0.877 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](Nc2nc(N)cc(C)[nH+]2)C1 ZINC000895203050 583624284 /nfs/dbraw/zinc/62/42/84/583624284.db2.gz VJPMYBVFNPPESV-LLVKDONJSA-N 2 2 245.330 0.877 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000730094416 584122778 /nfs/dbraw/zinc/12/27/78/584122778.db2.gz HMUSPXGBAPEJON-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000730094416 584122780 /nfs/dbraw/zinc/12/27/80/584122780.db2.gz HMUSPXGBAPEJON-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900629332 584333582 /nfs/dbraw/zinc/33/35/82/584333582.db2.gz JXTDIBVVYUXQHT-UHFFFAOYSA-N 2 2 236.319 0.876 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(CC)cn1 ZINC000902576694 584637556 /nfs/dbraw/zinc/63/75/56/584637556.db2.gz XFKITXFNEYVBJI-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(CC)cn1 ZINC000902576694 584637558 /nfs/dbraw/zinc/63/75/58/584637558.db2.gz XFKITXFNEYVBJI-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCCC#N ZINC000774744777 585034858 /nfs/dbraw/zinc/03/48/58/585034858.db2.gz KYYRKFSIPFAOEP-UHFFFAOYSA-N 2 2 249.318 0.235 20 30 BCEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCCC#N ZINC000774744777 585034859 /nfs/dbraw/zinc/03/48/59/585034859.db2.gz KYYRKFSIPFAOEP-UHFFFAOYSA-N 2 2 249.318 0.235 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000886209624 585112999 /nfs/dbraw/zinc/11/29/99/585112999.db2.gz QBGDTKODFKYDSQ-ZDUSSCGKSA-N 2 2 246.358 0.916 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000748319416 585190824 /nfs/dbraw/zinc/19/08/24/585190824.db2.gz AXLQCBOFSZFBDL-NSHDSACASA-N 2 2 232.287 0.124 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000748319416 585190825 /nfs/dbraw/zinc/19/08/25/585190825.db2.gz AXLQCBOFSZFBDL-NSHDSACASA-N 2 2 232.287 0.124 20 30 BCEDLP C[NH+]1CCN(N=C2CC[N@@H+]3CCC[C@H]23)CC1 ZINC000765545027 585489510 /nfs/dbraw/zinc/48/95/10/585489510.db2.gz ZBWYDOBOLAGNFH-GFCCVEGCSA-N 2 2 222.336 0.458 20 30 BCEDLP C[NH+]1CCN(N=C2CC[N@H+]3CCC[C@H]23)CC1 ZINC000765545027 585489511 /nfs/dbraw/zinc/48/95/11/585489511.db2.gz ZBWYDOBOLAGNFH-GFCCVEGCSA-N 2 2 222.336 0.458 20 30 BCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCO)cc1 ZINC000768161400 585533108 /nfs/dbraw/zinc/53/31/08/585533108.db2.gz KYPGEOQUVSBWHP-UHFFFAOYSA-N 2 2 237.303 0.377 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]N[C@@H]1CCOC1 ZINC000788452576 585924571 /nfs/dbraw/zinc/92/45/71/585924571.db2.gz PJAJMIPXJAXPOQ-LLVKDONJSA-N 2 2 234.303 0.860 20 30 BCEDLP Cc1cc(N(C)C)ccc1C=[NH+]NC1=[NH+]CCN1 ZINC000841661450 587970423 /nfs/dbraw/zinc/97/04/23/587970423.db2.gz XRLCYLHGWSABQG-UHFFFAOYSA-N 2 2 245.330 0.944 20 30 BCEDLP C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)n1cc[nH+]c1 ZINC000846677490 588282418 /nfs/dbraw/zinc/28/24/18/588282418.db2.gz NEEXNCGNTHROET-MXWKQRLJSA-N 2 2 247.302 0.062 20 30 BCEDLP C[C@H]1C[N@H+](C)CC1N=NCCCn1cc[nH+]c1 ZINC000848418552 588382082 /nfs/dbraw/zinc/38/20/82/588382082.db2.gz NMHHMXIRKNKBBU-NSHDSACASA-N 2 2 235.335 0.800 20 30 BCEDLP C[C@H]1C[N@@H+](C)CC1N=NCCCn1cc[nH+]c1 ZINC000848418552 588382084 /nfs/dbraw/zinc/38/20/84/588382084.db2.gz NMHHMXIRKNKBBU-NSHDSACASA-N 2 2 235.335 0.800 20 30 BCEDLP C[C@@H]1CC(=NNCCCn2cc[nH+]c2)C[N@@H+]1C ZINC000848417895 588382502 /nfs/dbraw/zinc/38/25/02/588382502.db2.gz GXLUYPMOSCDKII-LLVKDONJSA-N 2 2 235.335 0.943 20 30 BCEDLP C[C@@H]1CC(=NNCCCn2cc[nH+]c2)C[N@H+]1C ZINC000848417895 588382504 /nfs/dbraw/zinc/38/25/04/588382504.db2.gz GXLUYPMOSCDKII-LLVKDONJSA-N 2 2 235.335 0.943 20 30 BCEDLP Cc1cc(N[NH2+]C2=CC(=O)N3CCC[C@@H]23)cc[nH+]1 ZINC000863159716 589264746 /nfs/dbraw/zinc/26/47/46/589264746.db2.gz YZNNBXCCLORKPA-LBPRGKRZSA-N 2 2 244.298 0.975 20 30 BCEDLP OCC[NH+]1CCC(=[NH+]n2cccn2)CC1 ZINC000863163474 589266371 /nfs/dbraw/zinc/26/63/71/589266371.db2.gz FEBSQXJEYFYJCB-UHFFFAOYSA-N 2 2 208.265 0.175 20 30 BCEDLP N#Cc1ccc(N2CC[NH+](CCC[NH3+])CC2)cn1 ZINC000872146272 589884957 /nfs/dbraw/zinc/88/49/57/589884957.db2.gz JHEBZOIFRCLGAQ-UHFFFAOYSA-N 2 2 245.330 0.424 20 30 BCEDLP C[C@H]1C(=NN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000872325298 589912919 /nfs/dbraw/zinc/91/29/19/589912919.db2.gz LILJIDOOEZREJL-JTQLQIEISA-N 2 2 210.325 0.314 20 30 BCEDLP C[C@H]1C(=NN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000872325298 589912921 /nfs/dbraw/zinc/91/29/21/589912921.db2.gz LILJIDOOEZREJL-JTQLQIEISA-N 2 2 210.325 0.314 20 30 BCEDLP C[C@@H]1C(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC[N@@H+]1C ZINC000872359769 589918948 /nfs/dbraw/zinc/91/89/48/589918948.db2.gz ORSTZSFWUNPRIT-USWWRNFRSA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1C(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC[N@H+]1C ZINC000872359769 589918949 /nfs/dbraw/zinc/91/89/49/589918949.db2.gz ORSTZSFWUNPRIT-USWWRNFRSA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1CNC(NN=C2CC[N@H+](C)[C@H]2C)=[NH+]1 ZINC000872364623 589920898 /nfs/dbraw/zinc/92/08/98/589920898.db2.gz PGUSDZZBLNFJCO-SFYZADRCSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@@H]1CNC(NN=C2CC[N@@H+](C)[C@H]2C)=[NH+]1 ZINC000872364623 589920899 /nfs/dbraw/zinc/92/08/99/589920899.db2.gz PGUSDZZBLNFJCO-SFYZADRCSA-N 2 2 209.297 0.004 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000876763771 590239875 /nfs/dbraw/zinc/23/98/75/590239875.db2.gz HMMQBBSIRAXVJP-SSDOTTSWSA-N 2 2 228.683 0.496 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000876882783 590252938 /nfs/dbraw/zinc/25/29/38/590252938.db2.gz ROZRRXREFWQWDK-MRVPVSSYSA-N 2 2 228.683 0.496 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000876956897 590260718 /nfs/dbraw/zinc/26/07/18/590260718.db2.gz RHNGGXNURLPHST-SECBINFHSA-N 2 2 242.710 0.838 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000876956897 590260720 /nfs/dbraw/zinc/26/07/20/590260720.db2.gz RHNGGXNURLPHST-SECBINFHSA-N 2 2 242.710 0.838 20 30 BCEDLP C=CC[C@H](C(=O)OC)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000877981918 590464657 /nfs/dbraw/zinc/46/46/57/590464657.db2.gz BZVRQDZZKPHXJX-GMTAPVOTSA-N 2 2 224.304 0.255 20 30 BCEDLP COCC#CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579281 590816384 /nfs/dbraw/zinc/81/63/84/590816384.db2.gz ZAQHLTQAQZOHEL-CHWSQXEVSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579281 590816382 /nfs/dbraw/zinc/81/63/82/590816382.db2.gz ZAQHLTQAQZOHEL-CHWSQXEVSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579281 590816390 /nfs/dbraw/zinc/81/63/90/590816390.db2.gz ZAQHLTQAQZOHEL-CHWSQXEVSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579281 590816391 /nfs/dbraw/zinc/81/63/91/590816391.db2.gz ZAQHLTQAQZOHEL-CHWSQXEVSA-N 2 2 222.332 0.662 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000883390717 591642516 /nfs/dbraw/zinc/64/25/16/591642516.db2.gz RXQCMFXNVUXOIR-TUAOUCFPSA-N 2 2 212.337 0.853 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000883390717 591642518 /nfs/dbraw/zinc/64/25/18/591642518.db2.gz RXQCMFXNVUXOIR-TUAOUCFPSA-N 2 2 212.337 0.853 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000884610351 591993900 /nfs/dbraw/zinc/99/39/00/591993900.db2.gz JORDWMCDBWIQEG-JTQLQIEISA-N 2 2 246.318 0.272 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000884610351 591993901 /nfs/dbraw/zinc/99/39/01/591993901.db2.gz JORDWMCDBWIQEG-JTQLQIEISA-N 2 2 246.318 0.272 20 30 BCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010383365 635480831 /nfs/dbraw/zinc/48/08/31/635480831.db2.gz VIMAJRGAKHGXIA-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010383365 635480838 /nfs/dbraw/zinc/48/08/38/635480838.db2.gz VIMAJRGAKHGXIA-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010383365 635480844 /nfs/dbraw/zinc/48/08/44/635480844.db2.gz VIMAJRGAKHGXIA-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010383365 635480847 /nfs/dbraw/zinc/48/08/47/635480847.db2.gz VIMAJRGAKHGXIA-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889413 632032857 /nfs/dbraw/zinc/03/28/57/632032857.db2.gz GYRIUNSBXHGJLA-PHIMTYICSA-N 2 2 248.330 0.765 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001022976805 632092329 /nfs/dbraw/zinc/09/23/29/632092329.db2.gz IZPIPXNPABZZOO-PHIMTYICSA-N 2 2 248.330 0.385 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncn1C ZINC000328056355 633227112 /nfs/dbraw/zinc/22/71/12/633227112.db2.gz AMXDHFZPQIDRHK-UHFFFAOYSA-N 2 2 220.320 0.465 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncn1C ZINC000328056355 633227115 /nfs/dbraw/zinc/22/71/15/633227115.db2.gz AMXDHFZPQIDRHK-UHFFFAOYSA-N 2 2 220.320 0.465 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(CC)c1 ZINC000328199984 633743912 /nfs/dbraw/zinc/74/39/12/633743912.db2.gz SPPYMZPHNRDSAA-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(CC)c1 ZINC000328199984 633743914 /nfs/dbraw/zinc/74/39/14/633743914.db2.gz SPPYMZPHNRDSAA-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987262971 636645565 /nfs/dbraw/zinc/64/55/65/636645565.db2.gz XBWCWBZXSGQEBD-MNOVXSKESA-N 2 2 248.330 0.717 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989488261 636859313 /nfs/dbraw/zinc/85/93/13/636859313.db2.gz QOOPAICZGUFHPR-PWSUYJOCSA-N 2 2 248.330 0.717 20 30 BCEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989609998 636867177 /nfs/dbraw/zinc/86/71/77/636867177.db2.gz VNJZQKVPPFZQDZ-GHMZBOCLSA-N 2 2 248.330 0.717 20 30 BCEDLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930557632 639810861 /nfs/dbraw/zinc/81/08/61/639810861.db2.gz HNEXCXHGBCVXTH-NEPJUHHUSA-N 2 2 223.320 0.289 20 30 BCEDLP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930557632 639810862 /nfs/dbraw/zinc/81/08/62/639810862.db2.gz HNEXCXHGBCVXTH-NEPJUHHUSA-N 2 2 223.320 0.289 20 30 BCEDLP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)CC#N)C2)C1 ZINC000930557632 639810863 /nfs/dbraw/zinc/81/08/63/639810863.db2.gz HNEXCXHGBCVXTH-NEPJUHHUSA-N 2 2 223.320 0.289 20 30 BCEDLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)CC#N)C2)C1 ZINC000930557632 639810864 /nfs/dbraw/zinc/81/08/64/639810864.db2.gz HNEXCXHGBCVXTH-NEPJUHHUSA-N 2 2 223.320 0.289 20 30 BCEDLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC#N)C[C@]2(C)C1 ZINC000931313829 640150030 /nfs/dbraw/zinc/15/00/30/640150030.db2.gz GLUUBMHWJRTZJA-UPJWGTAASA-N 2 2 237.347 0.535 20 30 BCEDLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC#N)C[C@]2(C)C1 ZINC000931313829 640150035 /nfs/dbraw/zinc/15/00/35/640150035.db2.gz GLUUBMHWJRTZJA-UPJWGTAASA-N 2 2 237.347 0.535 20 30 BCEDLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)CC#N)C[C@]2(C)C1 ZINC000931313829 640150044 /nfs/dbraw/zinc/15/00/44/640150044.db2.gz GLUUBMHWJRTZJA-UPJWGTAASA-N 2 2 237.347 0.535 20 30 BCEDLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)CC#N)C[C@]2(C)C1 ZINC000931313829 640150056 /nfs/dbraw/zinc/15/00/56/640150056.db2.gz GLUUBMHWJRTZJA-UPJWGTAASA-N 2 2 237.347 0.535 20 30 BCEDLP C[N@@H+]1CC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545486 640258669 /nfs/dbraw/zinc/25/86/69/640258669.db2.gz FGYDGNVNFQPKGZ-QJPTWQEYSA-N 2 2 223.320 0.287 20 30 BCEDLP C[N@H+]1CC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545486 640258674 /nfs/dbraw/zinc/25/86/74/640258674.db2.gz FGYDGNVNFQPKGZ-QJPTWQEYSA-N 2 2 223.320 0.287 20 30 BCEDLP C[NH+]1CC[C@H]2C[N@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545486 640258681 /nfs/dbraw/zinc/25/86/81/640258681.db2.gz FGYDGNVNFQPKGZ-QJPTWQEYSA-N 2 2 223.320 0.287 20 30 BCEDLP C[NH+]1CC[C@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545486 640258689 /nfs/dbraw/zinc/25/86/89/640258689.db2.gz FGYDGNVNFQPKGZ-QJPTWQEYSA-N 2 2 223.320 0.287 20 30 BCEDLP CCOCCCNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000170906896 640935540 /nfs/dbraw/zinc/93/55/40/640935540.db2.gz UUWARULECIQWSQ-UHFFFAOYSA-N 2 2 239.323 0.214 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030891708 641407576 /nfs/dbraw/zinc/40/75/76/641407576.db2.gz LJSKQIKXICQWGV-UHFFFAOYSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939208149 642859257 /nfs/dbraw/zinc/85/92/57/642859257.db2.gz BMQJGXCNAXZFGX-ZYHUDNBSSA-N 2 2 246.314 0.022 20 30 BCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939407240 642869164 /nfs/dbraw/zinc/86/91/64/642869164.db2.gz AGRFONJJFOIWIR-WDEREUQCSA-N 2 2 248.330 0.575 20 30 BCEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939407239 642869347 /nfs/dbraw/zinc/86/93/47/642869347.db2.gz AGRFONJJFOIWIR-QWRGUYRKSA-N 2 2 248.330 0.575 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394228 642954860 /nfs/dbraw/zinc/95/48/60/642954860.db2.gz LXJRRDIIZMUVNF-LLVKDONJSA-N 2 2 234.303 0.260 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001018948943 643017371 /nfs/dbraw/zinc/01/73/71/643017371.db2.gz UOCJTGNBKJLFFL-LBPRGKRZSA-N 2 2 248.330 0.719 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001018948943 643017374 /nfs/dbraw/zinc/01/73/74/643017374.db2.gz UOCJTGNBKJLFFL-LBPRGKRZSA-N 2 2 248.330 0.719 20 30 BCEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000558245 643790276 /nfs/dbraw/zinc/79/02/76/643790276.db2.gz GAEXJLBTPSXYLU-LLVKDONJSA-N 2 2 248.330 0.719 20 30 BCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001056452 643802402 /nfs/dbraw/zinc/80/24/02/643802402.db2.gz QTGRWCOEAXAAGE-GFCCVEGCSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000923552010 644493629 /nfs/dbraw/zinc/49/36/29/644493629.db2.gz RYYCHUKDWVHBSJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000923552010 644493637 /nfs/dbraw/zinc/49/36/37/644493637.db2.gz RYYCHUKDWVHBSJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000923552010 644493643 /nfs/dbraw/zinc/49/36/43/644493643.db2.gz RYYCHUKDWVHBSJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000923552010 644493648 /nfs/dbraw/zinc/49/36/48/644493648.db2.gz RYYCHUKDWVHBSJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000923566654 644503181 /nfs/dbraw/zinc/50/31/81/644503181.db2.gz MYBKPDASZDBYPH-ZDUSSCGKSA-N 2 2 249.358 0.296 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000923566654 644503185 /nfs/dbraw/zinc/50/31/85/644503185.db2.gz MYBKPDASZDBYPH-ZDUSSCGKSA-N 2 2 249.358 0.296 20 30 BCEDLP CCNC(NCC[N@@H+](C)CCOC)=[NH+]CC ZINC000303409445 644821752 /nfs/dbraw/zinc/82/17/52/644821752.db2.gz VFXNUEYMDDMUBS-UHFFFAOYSA-N 2 2 230.356 0.140 20 30 BCEDLP CCNC(NCC[N@H+](C)CCOC)=[NH+]CC ZINC000303409445 644821746 /nfs/dbraw/zinc/82/17/46/644821746.db2.gz VFXNUEYMDDMUBS-UHFFFAOYSA-N 2 2 230.356 0.140 20 30 BCEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000809574408 644892462 /nfs/dbraw/zinc/89/24/62/644892462.db2.gz KMJMBHQYJIHPCY-QWHCGFSZSA-N 2 2 237.347 0.679 20 30 BCEDLP N#CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000809574408 644892464 /nfs/dbraw/zinc/89/24/64/644892464.db2.gz KMJMBHQYJIHPCY-QWHCGFSZSA-N 2 2 237.347 0.679 20 30 BCEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000809574407 644894195 /nfs/dbraw/zinc/89/41/95/644894195.db2.gz KMJMBHQYJIHPCY-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP N#CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000809574407 644894201 /nfs/dbraw/zinc/89/42/01/644894201.db2.gz KMJMBHQYJIHPCY-CHWSQXEVSA-N 2 2 237.347 0.679 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928429539 645749956 /nfs/dbraw/zinc/74/99/56/645749956.db2.gz QYGYLBASIMFSPI-XQQFMLRXSA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928429539 645749970 /nfs/dbraw/zinc/74/99/70/645749970.db2.gz QYGYLBASIMFSPI-XQQFMLRXSA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928429539 645749974 /nfs/dbraw/zinc/74/99/74/645749974.db2.gz QYGYLBASIMFSPI-XQQFMLRXSA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928429539 645749978 /nfs/dbraw/zinc/74/99/78/645749978.db2.gz QYGYLBASIMFSPI-XQQFMLRXSA-N 2 2 249.358 0.293 20 30 BCEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782381 646301079 /nfs/dbraw/zinc/30/10/79/646301079.db2.gz MGUQEWDNFVITTD-QJPTWQEYSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1C ZINC000929782381 646301088 /nfs/dbraw/zinc/30/10/88/646301088.db2.gz MGUQEWDNFVITTD-QJPTWQEYSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782381 646301092 /nfs/dbraw/zinc/30/10/92/646301092.db2.gz MGUQEWDNFVITTD-QJPTWQEYSA-N 2 2 225.336 0.675 20 30 BCEDLP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1C ZINC000929782381 646301098 /nfs/dbraw/zinc/30/10/98/646301098.db2.gz MGUQEWDNFVITTD-QJPTWQEYSA-N 2 2 225.336 0.675 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC1(OC)OC ZINC000710956409 712267901 /nfs/dbraw/zinc/26/79/01/712267901.db2.gz VJEQVTJCDCXTJI-LBPRGKRZSA-N 2 2 240.347 0.683 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC1(OC)OC ZINC000710956409 712267902 /nfs/dbraw/zinc/26/79/02/712267902.db2.gz VJEQVTJCDCXTJI-LBPRGKRZSA-N 2 2 240.347 0.683 20 30 BCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032634039 711930099 /nfs/dbraw/zinc/93/00/99/711930099.db2.gz DDILBYSSVKOWFV-AVGNSLFASA-N 2 2 249.358 0.245 20 30 BCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032634039 711930100 /nfs/dbraw/zinc/93/01/00/711930100.db2.gz DDILBYSSVKOWFV-AVGNSLFASA-N 2 2 249.358 0.245 20 30 BCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707743 712014547 /nfs/dbraw/zinc/01/45/47/712014547.db2.gz SFISALYTCVLTMH-GFCCVEGCSA-N 2 2 246.314 0.049 20 30 BCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707743 712014549 /nfs/dbraw/zinc/01/45/49/712014549.db2.gz SFISALYTCVLTMH-GFCCVEGCSA-N 2 2 246.314 0.049 20 30 BCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940993 712353901 /nfs/dbraw/zinc/35/39/01/712353901.db2.gz RBNFLJXWSRTUBX-CHWSQXEVSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940993 712353902 /nfs/dbraw/zinc/35/39/02/712353902.db2.gz RBNFLJXWSRTUBX-CHWSQXEVSA-N 2 2 249.358 0.152 20 30 BCEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000336775866 398240529 /nfs/dbraw/zinc/24/05/29/398240529.db2.gz CXCRWUURHHJWFH-LLVKDONJSA-N 2 2 228.336 0.234 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000320627843 398257544 /nfs/dbraw/zinc/25/75/44/398257544.db2.gz JRTAYJYXGZXEEJ-YNEHKIRRSA-N 2 2 242.363 0.670 20 30 BCEDLP C=CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561200074 398338242 /nfs/dbraw/zinc/33/82/42/398338242.db2.gz YQQZPEFYOHEWRD-NSHDSACASA-N 2 2 240.351 0.237 20 30 BCEDLP C=CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561200074 398338243 /nfs/dbraw/zinc/33/82/43/398338243.db2.gz YQQZPEFYOHEWRD-NSHDSACASA-N 2 2 240.351 0.237 20 30 BCEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000357548198 343715025 /nfs/dbraw/zinc/71/50/25/343715025.db2.gz BLMUGMZGLGQTPK-UHFFFAOYSA-N 2 2 237.347 0.411 20 30 BCEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000357548198 343715028 /nfs/dbraw/zinc/71/50/28/343715028.db2.gz BLMUGMZGLGQTPK-UHFFFAOYSA-N 2 2 237.347 0.411 20 30 BCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729324 344363975 /nfs/dbraw/zinc/36/39/75/344363975.db2.gz XTLWKZKVGLIJKM-NEPJUHHUSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729324 344363977 /nfs/dbraw/zinc/36/39/77/344363977.db2.gz XTLWKZKVGLIJKM-NEPJUHHUSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729326 344364241 /nfs/dbraw/zinc/36/42/41/344364241.db2.gz XTLWKZKVGLIJKM-RYUDHWBXSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729326 344364243 /nfs/dbraw/zinc/36/42/43/344364243.db2.gz XTLWKZKVGLIJKM-RYUDHWBXSA-N 2 2 237.347 0.725 20 30 BCEDLP Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c(C#N)c[nH+]1 ZINC000425244113 192085218 /nfs/dbraw/zinc/08/52/18/192085218.db2.gz RFDBNAPYPCVCJJ-CYBMUJFWSA-N 2 2 246.314 0.162 20 30 BCEDLP Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)c(C#N)c[nH+]1 ZINC000425244113 192085220 /nfs/dbraw/zinc/08/52/20/192085220.db2.gz RFDBNAPYPCVCJJ-CYBMUJFWSA-N 2 2 246.314 0.162 20 30 BCEDLP C=C[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641775788 362716257 /nfs/dbraw/zinc/71/62/57/362716257.db2.gz ZQENRKSVPGKYJW-LLVKDONJSA-N 2 2 221.304 0.784 20 30 BCEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000563628330 323132374 /nfs/dbraw/zinc/13/23/74/323132374.db2.gz FIJWWGJVTFUQFL-CYBMUJFWSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000563628330 323132375 /nfs/dbraw/zinc/13/23/75/323132375.db2.gz FIJWWGJVTFUQFL-CYBMUJFWSA-N 2 2 242.363 0.576 20 30 BCEDLP C[C@@H]1C[N@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000601326032 347208161 /nfs/dbraw/zinc/20/81/61/347208161.db2.gz IOAMQPFTCHUEFF-ZWNOBZJWSA-N 2 2 230.315 0.980 20 30 BCEDLP C[C@@H]1C[N@@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000601326032 347208166 /nfs/dbraw/zinc/20/81/66/347208166.db2.gz IOAMQPFTCHUEFF-ZWNOBZJWSA-N 2 2 230.315 0.980 20 30 BCEDLP N#CCCN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000601333239 347225345 /nfs/dbraw/zinc/22/53/45/347225345.db2.gz QSGVDDOEPNETMW-ZDUSSCGKSA-N 2 2 236.363 0.517 20 30 BCEDLP C=CCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000195522532 347457064 /nfs/dbraw/zinc/45/70/64/347457064.db2.gz DCBGHJJAOOZJNV-UHFFFAOYSA-N 2 2 233.319 0.974 20 30 BCEDLP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)C#N)C1CC1 ZINC000591759827 347692450 /nfs/dbraw/zinc/69/24/50/347692450.db2.gz YROMUNIQLJCKSR-LLVKDONJSA-N 2 2 225.336 0.581 20 30 BCEDLP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)C#N)C1CC1 ZINC000591759827 347692451 /nfs/dbraw/zinc/69/24/51/347692451.db2.gz YROMUNIQLJCKSR-LLVKDONJSA-N 2 2 225.336 0.581 20 30 BCEDLP N#CCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863739 348383833 /nfs/dbraw/zinc/38/38/33/348383833.db2.gz OHVSNNBLFWAEHZ-CYBMUJFWSA-N 2 2 237.347 0.821 20 30 BCEDLP N#CCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863739 348383834 /nfs/dbraw/zinc/38/38/34/348383834.db2.gz OHVSNNBLFWAEHZ-CYBMUJFWSA-N 2 2 237.347 0.821 20 30 BCEDLP N#Cc1ccc(CC[N@@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000595888014 348389312 /nfs/dbraw/zinc/38/93/12/348389312.db2.gz KTGKGLKNDFCSDD-CQSZACIVSA-N 2 2 245.326 0.760 20 30 BCEDLP N#Cc1ccc(CC[N@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000595888014 348389313 /nfs/dbraw/zinc/38/93/13/348389313.db2.gz KTGKGLKNDFCSDD-CQSZACIVSA-N 2 2 245.326 0.760 20 30 BCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598721533 349027813 /nfs/dbraw/zinc/02/78/13/349027813.db2.gz WUSSODGTEUCHRK-VXGBXAGGSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598721533 349027817 /nfs/dbraw/zinc/02/78/17/349027817.db2.gz WUSSODGTEUCHRK-VXGBXAGGSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598722290 349028237 /nfs/dbraw/zinc/02/82/37/349028237.db2.gz ZYBPIHSQOXLLFT-RYUDHWBXSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598722290 349028238 /nfs/dbraw/zinc/02/82/38/349028238.db2.gz ZYBPIHSQOXLLFT-RYUDHWBXSA-N 2 2 239.363 0.971 20 30 BCEDLP CC1CCN(C(=[NH2+])NCCn2cc[nH+]c2)CC1 ZINC000303364863 350115131 /nfs/dbraw/zinc/11/51/31/350115131.db2.gz FZJAVEVBNYBSOE-UHFFFAOYSA-N 2 2 235.335 0.930 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH2+]CC2)C1=O ZINC000570964475 350668322 /nfs/dbraw/zinc/66/83/22/350668322.db2.gz SOKMJMNCLKKABE-GFCCVEGCSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH2+]CC2)C1=O ZINC000570964475 350668323 /nfs/dbraw/zinc/66/83/23/350668323.db2.gz SOKMJMNCLKKABE-GFCCVEGCSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000336691700 350991596 /nfs/dbraw/zinc/99/15/96/350991596.db2.gz WYEQMQBYHMTVLB-LLVKDONJSA-N 2 2 213.325 0.252 20 30 BCEDLP C=C[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000289937653 351011345 /nfs/dbraw/zinc/01/13/45/351011345.db2.gz UDHGGHZRRWELIZ-SNVBAGLBSA-N 2 2 217.272 0.971 20 30 BCEDLP C#CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119498108 358461780 /nfs/dbraw/zinc/46/17/80/358461780.db2.gz URQPZWSQJZKZRB-YIONKMFJSA-N 2 2 247.386 0.862 20 30 BCEDLP C#CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119498108 358461782 /nfs/dbraw/zinc/46/17/82/358461782.db2.gz URQPZWSQJZKZRB-YIONKMFJSA-N 2 2 247.386 0.862 20 30 BCEDLP C#CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119498108 358461785 /nfs/dbraw/zinc/46/17/85/358461785.db2.gz URQPZWSQJZKZRB-YIONKMFJSA-N 2 2 247.386 0.862 20 30 BCEDLP C#CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119498108 358461788 /nfs/dbraw/zinc/46/17/88/358461788.db2.gz URQPZWSQJZKZRB-YIONKMFJSA-N 2 2 247.386 0.862 20 30 BCEDLP C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638454885 352264241 /nfs/dbraw/zinc/26/42/41/352264241.db2.gz NDHUAAMQUFHUAA-NSHDSACASA-N 2 2 241.379 0.984 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336760257 353171325 /nfs/dbraw/zinc/17/13/25/353171325.db2.gz MCJQESIHSLUBKM-SDDRHHMPSA-N 2 2 212.337 0.711 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336760257 353171327 /nfs/dbraw/zinc/17/13/27/353171327.db2.gz MCJQESIHSLUBKM-SDDRHHMPSA-N 2 2 212.337 0.711 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336758400 353166490 /nfs/dbraw/zinc/16/64/90/353166490.db2.gz JTVGCCQOHBQTHD-TUAOUCFPSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336758400 353166491 /nfs/dbraw/zinc/16/64/91/353166491.db2.gz JTVGCCQOHBQTHD-TUAOUCFPSA-N 2 2 212.337 0.853 20 30 BCEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000267519605 188261072 /nfs/dbraw/zinc/26/10/72/188261072.db2.gz NHIQQKUZTONYNJ-UHFFFAOYSA-N 2 2 249.362 0.945 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000293928503 353764397 /nfs/dbraw/zinc/76/43/97/353764397.db2.gz HQBNDJOUCKSPTQ-UHFFFAOYSA-N 2 2 248.330 0.414 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000293928503 353764400 /nfs/dbraw/zinc/76/44/00/353764400.db2.gz HQBNDJOUCKSPTQ-UHFFFAOYSA-N 2 2 248.330 0.414 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000293928503 353764402 /nfs/dbraw/zinc/76/44/02/353764402.db2.gz HQBNDJOUCKSPTQ-UHFFFAOYSA-N 2 2 248.330 0.414 20 30 BCEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000344239018 354187567 /nfs/dbraw/zinc/18/75/67/354187567.db2.gz KYGLBFWHIZSERQ-UHFFFAOYSA-N 2 2 249.362 0.945 20 30 BCEDLP C=CCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767430 356328549 /nfs/dbraw/zinc/32/85/49/356328549.db2.gz VCTISLRRKZZYRS-UHFFFAOYSA-N 2 2 241.379 0.952 20 30 BCEDLP C=CCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767430 356328551 /nfs/dbraw/zinc/32/85/51/356328551.db2.gz VCTISLRRKZZYRS-UHFFFAOYSA-N 2 2 241.379 0.952 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H]2C[NH3+])C1=O ZINC000420286982 192200983 /nfs/dbraw/zinc/20/09/83/192200983.db2.gz HIVVWGBXWVTPJQ-QWRGUYRKSA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])C1=O ZINC000420286982 192200986 /nfs/dbraw/zinc/20/09/86/192200986.db2.gz HIVVWGBXWVTPJQ-QWRGUYRKSA-N 2 2 223.320 0.196 20 30 BCEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000124064742 358512446 /nfs/dbraw/zinc/51/24/46/358512446.db2.gz MURJNQJHTJOLBV-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000124064742 358512450 /nfs/dbraw/zinc/51/24/50/358512450.db2.gz MURJNQJHTJOLBV-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991498 134233230 /nfs/dbraw/zinc/23/32/30/134233230.db2.gz UGAXOIAJVCHQCT-GFCCVEGCSA-N 2 2 239.363 0.705 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991498 134233231 /nfs/dbraw/zinc/23/32/31/134233231.db2.gz UGAXOIAJVCHQCT-GFCCVEGCSA-N 2 2 239.363 0.705 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991499 134233233 /nfs/dbraw/zinc/23/32/33/134233233.db2.gz UGAXOIAJVCHQCT-LBPRGKRZSA-N 2 2 239.363 0.705 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991499 134233234 /nfs/dbraw/zinc/23/32/34/134233234.db2.gz UGAXOIAJVCHQCT-LBPRGKRZSA-N 2 2 239.363 0.705 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859554 359034950 /nfs/dbraw/zinc/03/49/50/359034950.db2.gz NFSWTXUHKUIUMN-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859554 359034953 /nfs/dbraw/zinc/03/49/53/359034953.db2.gz NFSWTXUHKUIUMN-ZDUSSCGKSA-N 2 2 222.332 0.664 20 30 BCEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000382830853 367561649 /nfs/dbraw/zinc/56/16/49/367561649.db2.gz IFWXYHDOXYHBTQ-KGLIPLIRSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000382830853 367561657 /nfs/dbraw/zinc/56/16/57/367561657.db2.gz IFWXYHDOXYHBTQ-KGLIPLIRSA-N 3 2 237.391 0.871 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000382830853 367561660 /nfs/dbraw/zinc/56/16/60/367561660.db2.gz IFWXYHDOXYHBTQ-KGLIPLIRSA-N 3 2 237.391 0.871 20 30 BCEDLP N#Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000600768857 369563506 /nfs/dbraw/zinc/56/35/06/369563506.db2.gz HELZTHQGYAXFFT-URLYPYJESA-N 2 2 203.245 0.459 20 30 BCEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230188 371418325 /nfs/dbraw/zinc/41/83/25/371418325.db2.gz PZSBAPPLAXFPCD-VXGBXAGGSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230188 371418331 /nfs/dbraw/zinc/41/83/31/371418331.db2.gz PZSBAPPLAXFPCD-VXGBXAGGSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869231 372672143 /nfs/dbraw/zinc/67/21/43/372672143.db2.gz IPLPTKKKCOSGAQ-PWSUYJOCSA-N 2 2 223.320 0.020 20 30 BCEDLP CNC(NCCc1cc[nH+]cc1C)=[NH+]C ZINC000162534731 384639676 /nfs/dbraw/zinc/63/96/76/384639676.db2.gz UZCGVNJKUXCOMZ-UHFFFAOYSA-N 2 2 206.293 0.727 20 30 BCEDLP N#Cc1ccccc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000598682858 385066772 /nfs/dbraw/zinc/06/67/72/385066772.db2.gz PIRNKKDRSCSXML-UHFFFAOYSA-N 2 2 245.326 0.762 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677429 385039950 /nfs/dbraw/zinc/03/99/50/385039950.db2.gz NKYNCBNACWRRLN-NEPJUHHUSA-N 2 2 239.363 0.609 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677429 385039957 /nfs/dbraw/zinc/03/99/57/385039957.db2.gz NKYNCBNACWRRLN-NEPJUHHUSA-N 2 2 239.363 0.609 20 30 BCEDLP COCC[N@@H+]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000309045168 385389408 /nfs/dbraw/zinc/38/94/08/385389408.db2.gz NZWUBBQBWQKZDF-NSHDSACASA-N 2 2 211.309 0.600 20 30 BCEDLP COCC[N@H+]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000309045168 385389411 /nfs/dbraw/zinc/38/94/11/385389411.db2.gz NZWUBBQBWQKZDF-NSHDSACASA-N 2 2 211.309 0.600 20 30 BCEDLP CN(C)C(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912390 385456252 /nfs/dbraw/zinc/45/62/52/385456252.db2.gz CMILUZHGQZDRKX-UHFFFAOYSA-N 2 2 244.302 0.644 20 30 BCEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000228726314 386192795 /nfs/dbraw/zinc/19/27/95/386192795.db2.gz DQGHTQQGFNQKHI-AWEZNQCLSA-N 2 2 247.342 0.960 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@@](C)(C[NH3+])C2CC2)C1=O ZINC000519827858 386565245 /nfs/dbraw/zinc/56/52/45/386565245.db2.gz VFVOWUCYDPJAOH-AAEUAGOBSA-N 2 2 237.347 0.490 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000184539525 387067799 /nfs/dbraw/zinc/06/77/99/387067799.db2.gz JWZVHAJVLWUCHY-UHFFFAOYSA-N 2 2 247.342 0.962 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000184539525 387067805 /nfs/dbraw/zinc/06/78/05/387067805.db2.gz JWZVHAJVLWUCHY-UHFFFAOYSA-N 2 2 247.342 0.962 20 30 BCEDLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423344581 387193074 /nfs/dbraw/zinc/19/30/74/387193074.db2.gz WZLXQCGYODWTJN-RYUDHWBXSA-N 2 2 225.336 0.894 20 30 BCEDLP CC#CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266970345 387407775 /nfs/dbraw/zinc/40/77/75/387407775.db2.gz ZVXOCNGNNWTOKW-UHFFFAOYSA-N 2 2 218.304 0.565 20 30 BCEDLP C#C[C@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000491373667 388289529 /nfs/dbraw/zinc/28/95/29/388289529.db2.gz NVWHDZBSYZYBHU-NSHDSACASA-N 2 2 219.288 0.297 20 30 BCEDLP C#C[C@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000491373667 388289531 /nfs/dbraw/zinc/28/95/31/388289531.db2.gz NVWHDZBSYZYBHU-NSHDSACASA-N 2 2 219.288 0.297 20 30 BCEDLP C#CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000491626601 388305853 /nfs/dbraw/zinc/30/58/53/388305853.db2.gz LOXFYZLABKGFQM-UHFFFAOYSA-N 2 2 231.299 0.845 20 30 BCEDLP C#CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000491807391 388322200 /nfs/dbraw/zinc/32/22/00/388322200.db2.gz SOJGIBWGCNIYIB-UHFFFAOYSA-N 2 2 210.321 0.445 20 30 BCEDLP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1C#N ZINC000415063140 388667613 /nfs/dbraw/zinc/66/76/13/388667613.db2.gz OARCNXNBDLEUIB-IMRBUKKESA-N 2 2 243.310 0.874 20 30 BCEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCCC1 ZINC000261908762 533478732 /nfs/dbraw/zinc/47/87/32/533478732.db2.gz XTWUAWVJDPYSBO-UHFFFAOYSA-N 2 2 210.325 0.363 20 30 BCEDLP NC(=[NH2+])NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000303257226 134233048 /nfs/dbraw/zinc/23/30/48/134233048.db2.gz JCVCPEYJNBDUBA-UHFFFAOYSA-N 2 2 229.287 0.705 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336758398 134976203 /nfs/dbraw/zinc/97/62/03/134976203.db2.gz JTVGCCQOHBQTHD-IJLUTSLNSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336758398 134976204 /nfs/dbraw/zinc/97/62/04/134976204.db2.gz JTVGCCQOHBQTHD-IJLUTSLNSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CCNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262068649 135114359 /nfs/dbraw/zinc/11/43/59/135114359.db2.gz BRQDSVJYHMSPBO-UHFFFAOYSA-N 2 2 233.319 0.810 20 30 BCEDLP CNC(=[NH2+])N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262015728 135114423 /nfs/dbraw/zinc/11/44/23/135114423.db2.gz XQCKTJZDBCGNEZ-VHSXEESVSA-N 2 2 221.308 0.711 20 30 BCEDLP CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264058914 135131140 /nfs/dbraw/zinc/13/11/40/135131140.db2.gz BXQVZFFVZHDDDO-LLVKDONJSA-N 2 2 220.320 0.823 20 30 BCEDLP CCCCNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264098831 135133224 /nfs/dbraw/zinc/13/32/24/135133224.db2.gz MMUKXTUOPNERFV-UHFFFAOYSA-N 2 2 209.297 0.588 20 30 BCEDLP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000342727458 135315822 /nfs/dbraw/zinc/31/58/22/135315822.db2.gz ULNDWYJCHZMFAK-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000342727458 135315824 /nfs/dbraw/zinc/31/58/24/135315824.db2.gz ULNDWYJCHZMFAK-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP C[N@H+](CC1(C#N)CC1)C1CC[NH+](CCO)CC1 ZINC000343316989 411190225 /nfs/dbraw/zinc/19/02/25/411190225.db2.gz UIYMKZZBXJFMHU-UHFFFAOYSA-N 2 2 237.347 0.679 20 30 BCEDLP C[N@@H+](CC1(C#N)CC1)C1CC[NH+](CCO)CC1 ZINC000343316989 411190227 /nfs/dbraw/zinc/19/02/27/411190227.db2.gz UIYMKZZBXJFMHU-UHFFFAOYSA-N 2 2 237.347 0.679 20 30 BCEDLP C=CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660329233 411417034 /nfs/dbraw/zinc/41/70/34/411417034.db2.gz VGHFDJVPABTBNO-NSHDSACASA-N 2 2 200.326 0.805 20 30 BCEDLP C=CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660329233 411417037 /nfs/dbraw/zinc/41/70/37/411417037.db2.gz VGHFDJVPABTBNO-NSHDSACASA-N 2 2 200.326 0.805 20 30 BCEDLP C=CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660329233 411417039 /nfs/dbraw/zinc/41/70/39/411417039.db2.gz VGHFDJVPABTBNO-NSHDSACASA-N 2 2 200.326 0.805 20 30 BCEDLP C=CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660329233 411417041 /nfs/dbraw/zinc/41/70/41/411417041.db2.gz VGHFDJVPABTBNO-NSHDSACASA-N 2 2 200.326 0.805 20 30 BCEDLP C=CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660329232 411417070 /nfs/dbraw/zinc/41/70/70/411417070.db2.gz VGHFDJVPABTBNO-LLVKDONJSA-N 2 2 200.326 0.805 20 30 BCEDLP C=CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660329232 411417072 /nfs/dbraw/zinc/41/70/72/411417072.db2.gz VGHFDJVPABTBNO-LLVKDONJSA-N 2 2 200.326 0.805 20 30 BCEDLP C=CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660329232 411417073 /nfs/dbraw/zinc/41/70/73/411417073.db2.gz VGHFDJVPABTBNO-LLVKDONJSA-N 2 2 200.326 0.805 20 30 BCEDLP C=CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660329232 411417076 /nfs/dbraw/zinc/41/70/76/411417076.db2.gz VGHFDJVPABTBNO-LLVKDONJSA-N 2 2 200.326 0.805 20 30 BCEDLP C=C(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000653609259 411439225 /nfs/dbraw/zinc/43/92/25/411439225.db2.gz DTXKUBUMKQWTLP-NSHDSACASA-N 2 2 200.326 0.807 20 30 BCEDLP C=C(C)C[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000653609259 411439228 /nfs/dbraw/zinc/43/92/28/411439228.db2.gz DTXKUBUMKQWTLP-NSHDSACASA-N 2 2 200.326 0.807 20 30 BCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653609259 411439232 /nfs/dbraw/zinc/43/92/32/411439232.db2.gz DTXKUBUMKQWTLP-NSHDSACASA-N 2 2 200.326 0.807 20 30 BCEDLP C=C(C)C[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653609259 411439233 /nfs/dbraw/zinc/43/92/33/411439233.db2.gz DTXKUBUMKQWTLP-NSHDSACASA-N 2 2 200.326 0.807 20 30 BCEDLP C=CC[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657434772 411507519 /nfs/dbraw/zinc/50/75/19/411507519.db2.gz HNUCEVGZIVBJQS-JTQLQIEISA-N 2 2 221.304 0.856 20 30 BCEDLP CC#CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660646289 411611995 /nfs/dbraw/zinc/61/19/95/411611995.db2.gz HTOLOJQKUBMBGO-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP CC#CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660646289 411611996 /nfs/dbraw/zinc/61/19/96/411611996.db2.gz HTOLOJQKUBMBGO-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP CC#CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660646289 411611997 /nfs/dbraw/zinc/61/19/97/411611997.db2.gz HTOLOJQKUBMBGO-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP CC#CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660646289 411611998 /nfs/dbraw/zinc/61/19/98/411611998.db2.gz HTOLOJQKUBMBGO-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662292863 412082318 /nfs/dbraw/zinc/08/23/18/412082318.db2.gz BDTHHJFOAVXMCJ-SNVBAGLBSA-N 2 2 225.336 0.442 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662292863 412082320 /nfs/dbraw/zinc/08/23/20/412082320.db2.gz BDTHHJFOAVXMCJ-SNVBAGLBSA-N 2 2 225.336 0.442 20 30 BCEDLP C=CCOCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665263793 412207766 /nfs/dbraw/zinc/20/77/66/412207766.db2.gz UVIFZIATKOCKOH-QWHCGFSZSA-N 2 2 242.363 0.936 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226028535 487653763 /nfs/dbraw/zinc/65/37/63/487653763.db2.gz KIDARYKEBBMHMG-WDEREUQCSA-N 2 2 225.336 0.348 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226028535 487653768 /nfs/dbraw/zinc/65/37/68/487653768.db2.gz KIDARYKEBBMHMG-WDEREUQCSA-N 2 2 225.336 0.348 20 30 BCEDLP C=CC[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000566496160 323003087 /nfs/dbraw/zinc/00/30/87/323003087.db2.gz CBMOLVVVPKPBBV-SNVBAGLBSA-N 2 2 209.293 0.755 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000570836019 323072115 /nfs/dbraw/zinc/07/21/15/323072115.db2.gz APHQVMOFCRTAQC-QWRGUYRKSA-N 2 2 212.337 0.996 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000563628330 323132373 /nfs/dbraw/zinc/13/23/73/323132373.db2.gz FIJWWGJVTFUQFL-CYBMUJFWSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[NH+](CC=C)CC(=O)N1CC[NH+](C)CC1 ZINC000133090414 325267873 /nfs/dbraw/zinc/26/78/73/325267873.db2.gz NHUMDDRGPDVXMW-UHFFFAOYSA-N 2 2 237.347 0.434 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000490853526 488025842 /nfs/dbraw/zinc/02/58/42/488025842.db2.gz SHSKMGJNMXRDMI-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000490853526 488025846 /nfs/dbraw/zinc/02/58/46/488025846.db2.gz SHSKMGJNMXRDMI-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP COCC#CC[NH+]1CCC([NH+](C)C)CC1 ZINC000677817594 488131151 /nfs/dbraw/zinc/13/11/51/488131151.db2.gz QZKPNYREBUQCLD-UHFFFAOYSA-N 2 2 210.321 0.662 20 30 BCEDLP CC#CC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374754933 534708551 /nfs/dbraw/zinc/70/85/51/534708551.db2.gz ZXIOXTVSKLANQU-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP CC#CC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374754933 534708556 /nfs/dbraw/zinc/70/85/56/534708556.db2.gz ZXIOXTVSKLANQU-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP C=CCNC(=O)C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894374786 583442018 /nfs/dbraw/zinc/44/20/18/583442018.db2.gz FXDIIIYIHRMMQB-UHFFFAOYSA-N 2 2 234.303 0.364 20 30 BCEDLP C#C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000895333203 583652082 /nfs/dbraw/zinc/65/20/82/583652082.db2.gz ZXQXLBOLLNUOHY-LBPRGKRZSA-N 2 2 219.288 0.928 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C(=C)CC[NH+](C)C)CC1 ZINC000900691028 584341915 /nfs/dbraw/zinc/34/19/15/584341915.db2.gz VYQMHTIMUPVXIY-UHFFFAOYSA-N 2 2 249.358 0.272 20 30 BCEDLP CC(=[NH+]N1CCOCC1)c1c[nH]c(N)[nH+]1 ZINC000901127489 584387448 /nfs/dbraw/zinc/38/74/48/584387448.db2.gz YSKHLNDRXSFADD-UHFFFAOYSA-N 2 2 209.253 0.048 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903464977 584779345 /nfs/dbraw/zinc/77/93/45/584779345.db2.gz COLVGYWCEZYZLL-JTQLQIEISA-N 2 2 223.320 0.163 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1=O ZINC000903861001 584812260 /nfs/dbraw/zinc/81/22/60/584812260.db2.gz VHESNFLNVZBLIN-MBNYWOFBSA-N 2 2 249.358 0.587 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1=O ZINC000903861001 584812261 /nfs/dbraw/zinc/81/22/61/584812261.db2.gz VHESNFLNVZBLIN-MBNYWOFBSA-N 2 2 249.358 0.587 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000730277104 584898796 /nfs/dbraw/zinc/89/87/96/584898796.db2.gz XGFGPXVGEGDFLN-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000730277104 584898797 /nfs/dbraw/zinc/89/87/97/584898797.db2.gz XGFGPXVGEGDFLN-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984597 585162401 /nfs/dbraw/zinc/16/24/01/585162401.db2.gz POHRONVRYVEPDK-UHFFFAOYSA-N 2 2 246.314 0.339 20 30 BCEDLP Cc1[nH+]cc(C=NNC(N)=[NH2+])n1-c1ccccc1 ZINC000755633839 585302883 /nfs/dbraw/zinc/30/28/83/585302883.db2.gz OOPABCQQUFBEHW-UHFFFAOYSA-N 2 2 242.286 0.998 20 30 BCEDLP C[C@H]1C[N@@H+](C2CC2)CC1=NN1CC[NH+](C)CC1 ZINC000755874493 585309137 /nfs/dbraw/zinc/30/91/37/585309137.db2.gz POAPUNIELAKVQV-NSHDSACASA-N 2 2 236.363 0.704 20 30 BCEDLP C[C@H]1C[N@H+](C2CC2)CC1=NN1CC[NH+](C)CC1 ZINC000755874493 585309138 /nfs/dbraw/zinc/30/91/38/585309138.db2.gz POAPUNIELAKVQV-NSHDSACASA-N 2 2 236.363 0.704 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759965770 585383538 /nfs/dbraw/zinc/38/35/38/585383538.db2.gz IJFOKJHUECHATE-LBPRGKRZSA-N 2 2 237.347 0.152 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759965770 585383539 /nfs/dbraw/zinc/38/35/39/585383539.db2.gz IJFOKJHUECHATE-LBPRGKRZSA-N 2 2 237.347 0.152 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000793565893 586023444 /nfs/dbraw/zinc/02/34/44/586023444.db2.gz GDEQUDNPNJGCAI-SNVBAGLBSA-N 2 2 248.330 0.501 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000793565893 586023445 /nfs/dbraw/zinc/02/34/45/586023445.db2.gz GDEQUDNPNJGCAI-SNVBAGLBSA-N 2 2 248.330 0.501 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000839900697 586219599 /nfs/dbraw/zinc/21/95/99/586219599.db2.gz TYCPIKAODQJGAS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000839900697 586219603 /nfs/dbraw/zinc/21/96/03/586219603.db2.gz TYCPIKAODQJGAS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)C1 ZINC000839900697 586219604 /nfs/dbraw/zinc/21/96/04/586219604.db2.gz TYCPIKAODQJGAS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)C1 ZINC000839900697 586219605 /nfs/dbraw/zinc/21/96/05/586219605.db2.gz TYCPIKAODQJGAS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC#N ZINC000809577118 586508141 /nfs/dbraw/zinc/50/81/41/586508141.db2.gz VOFCXLAWLXGVPB-LLVKDONJSA-N 2 2 222.292 0.480 20 30 BCEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC#N ZINC000809577118 586508143 /nfs/dbraw/zinc/50/81/43/586508143.db2.gz VOFCXLAWLXGVPB-LLVKDONJSA-N 2 2 222.292 0.480 20 30 BCEDLP CC[C@@H](O)CN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000811652832 586563427 /nfs/dbraw/zinc/56/34/27/586563427.db2.gz ZGBPJNVKHUBSIP-LLVKDONJSA-N 2 2 236.319 0.842 20 30 BCEDLP N#CCCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846874805 588294702 /nfs/dbraw/zinc/29/47/02/588294702.db2.gz BGRLLCLWMITVIB-UHFFFAOYSA-N 2 2 249.318 0.462 20 30 BCEDLP C#C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000847024078 588303472 /nfs/dbraw/zinc/30/34/72/588303472.db2.gz PIDZKDKUAUXRJP-ZDUSSCGKSA-N 2 2 249.358 0.106 20 30 BCEDLP C#C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000847024078 588303473 /nfs/dbraw/zinc/30/34/73/588303473.db2.gz PIDZKDKUAUXRJP-ZDUSSCGKSA-N 2 2 249.358 0.106 20 30 BCEDLP C#C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848910539 588419265 /nfs/dbraw/zinc/41/92/65/588419265.db2.gz MBWAVZXJTJTXMO-AAEUAGOBSA-N 2 2 222.332 0.851 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851988716 588652532 /nfs/dbraw/zinc/65/25/32/588652532.db2.gz CLZFXPHLRSNAHV-RYUDHWBXSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851988716 588652533 /nfs/dbraw/zinc/65/25/33/588652533.db2.gz CLZFXPHLRSNAHV-RYUDHWBXSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000851988716 588652534 /nfs/dbraw/zinc/65/25/34/588652534.db2.gz CLZFXPHLRSNAHV-RYUDHWBXSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000851988716 588652535 /nfs/dbraw/zinc/65/25/35/588652535.db2.gz CLZFXPHLRSNAHV-RYUDHWBXSA-N 2 2 212.337 0.641 20 30 BCEDLP C#CCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000851987989 588652688 /nfs/dbraw/zinc/65/26/88/588652688.db2.gz HYVXZDGTLLUXHI-UHFFFAOYSA-N 2 2 234.303 0.182 20 30 BCEDLP C#CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761373 588700926 /nfs/dbraw/zinc/70/09/26/588700926.db2.gz VIMPGVZRZRTUJC-GFCCVEGCSA-N 2 2 210.321 0.662 20 30 BCEDLP C#CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761373 588700927 /nfs/dbraw/zinc/70/09/27/588700927.db2.gz VIMPGVZRZRTUJC-GFCCVEGCSA-N 2 2 210.321 0.662 20 30 BCEDLP Cc1c[nH+]ccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852865836 588709675 /nfs/dbraw/zinc/70/96/75/588709675.db2.gz PYCIVIWSVQWCQI-UHFFFAOYSA-N 2 2 243.310 0.753 20 30 BCEDLP C[C@H]1CNC(NN=C2CC[N@H+](C)[C@H]2C)=[NH+]1 ZINC000872364624 589920915 /nfs/dbraw/zinc/92/09/15/589920915.db2.gz PGUSDZZBLNFJCO-YUMQZZPRSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@H]1CNC(NN=C2CC[N@@H+](C)[C@H]2C)=[NH+]1 ZINC000872364624 589920916 /nfs/dbraw/zinc/92/09/16/589920916.db2.gz PGUSDZZBLNFJCO-YUMQZZPRSA-N 2 2 209.297 0.004 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000876709019 590232731 /nfs/dbraw/zinc/23/27/31/590232731.db2.gz HASLQJKAZBWMPP-VIFPVBQESA-N 2 2 242.710 0.469 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000877233475 590302039 /nfs/dbraw/zinc/30/20/39/590302039.db2.gz UMAYZICYLIJTOZ-QMMMGPOBSA-N 2 2 242.710 0.838 20 30 BCEDLP C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105118 590494880 /nfs/dbraw/zinc/49/48/80/590494880.db2.gz WNZGCIGILYKRCS-NEPJUHHUSA-N 2 2 240.347 0.988 20 30 BCEDLP C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105118 590494883 /nfs/dbraw/zinc/49/48/83/590494883.db2.gz WNZGCIGILYKRCS-NEPJUHHUSA-N 2 2 240.347 0.988 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569378 590806290 /nfs/dbraw/zinc/80/62/90/590806290.db2.gz OFRFPAQIGFRVPJ-YNEHKIRRSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569378 590806292 /nfs/dbraw/zinc/80/62/92/590806292.db2.gz OFRFPAQIGFRVPJ-YNEHKIRRSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569378 590806293 /nfs/dbraw/zinc/80/62/93/590806293.db2.gz OFRFPAQIGFRVPJ-YNEHKIRRSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569378 590806295 /nfs/dbraw/zinc/80/62/95/590806295.db2.gz OFRFPAQIGFRVPJ-YNEHKIRRSA-N 2 2 249.358 0.150 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882486723 591363631 /nfs/dbraw/zinc/36/36/31/591363631.db2.gz VDHZOJZEDNAYAM-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882486723 591363635 /nfs/dbraw/zinc/36/36/35/591363635.db2.gz VDHZOJZEDNAYAM-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC ZINC000882486723 591363637 /nfs/dbraw/zinc/36/36/37/591363637.db2.gz VDHZOJZEDNAYAM-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC ZINC000882486723 591363639 /nfs/dbraw/zinc/36/36/39/591363639.db2.gz VDHZOJZEDNAYAM-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C=CC(C)(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000884041883 591823015 /nfs/dbraw/zinc/82/30/15/591823015.db2.gz KABQJECZZCDRLO-LLVKDONJSA-N 2 2 239.363 0.690 20 30 BCEDLP CN(C)c1ccc(C=[NH+]NC(N)=[NH2+])cc1 ZINC000008622343 592733369 /nfs/dbraw/zinc/73/33/69/592733369.db2.gz KGSVTIOPRMVDLA-UHFFFAOYSA-N 2 2 205.265 0.570 20 30 BCEDLP N#CCCN1CC[NH+]([C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925726674 634522895 /nfs/dbraw/zinc/52/28/95/634522895.db2.gz JVKMMRXRRXZCOJ-OLZOCXBDSA-N 2 2 248.374 0.788 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926488859 632127748 /nfs/dbraw/zinc/12/77/48/632127748.db2.gz AUJVTNOAXWCFLS-NSHDSACASA-N 2 2 237.347 0.056 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926488859 632127752 /nfs/dbraw/zinc/12/77/52/632127752.db2.gz AUJVTNOAXWCFLS-NSHDSACASA-N 2 2 237.347 0.056 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000156373714 632130838 /nfs/dbraw/zinc/13/08/38/632130838.db2.gz UVCBHJZLLOWTPD-OLZOCXBDSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000156373714 632130844 /nfs/dbraw/zinc/13/08/44/632130844.db2.gz UVCBHJZLLOWTPD-OLZOCXBDSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000156373714 632130852 /nfs/dbraw/zinc/13/08/52/632130852.db2.gz UVCBHJZLLOWTPD-OLZOCXBDSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000156373714 632130860 /nfs/dbraw/zinc/13/08/60/632130860.db2.gz UVCBHJZLLOWTPD-OLZOCXBDSA-N 2 2 249.358 0.152 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023158635 632403374 /nfs/dbraw/zinc/40/33/74/632403374.db2.gz AMLCYDSVCLPFDG-PHIMTYICSA-N 2 2 234.303 0.306 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987069306 636621939 /nfs/dbraw/zinc/62/19/39/636621939.db2.gz PLYQIIPSSHUSCD-ZYHUDNBSSA-N 2 2 248.330 0.717 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987262024 636644033 /nfs/dbraw/zinc/64/40/33/636644033.db2.gz SWXCTBIRURHFIY-QWRGUYRKSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987262970 636644999 /nfs/dbraw/zinc/64/49/99/636644999.db2.gz XBWCWBZXSGQEBD-GHMZBOCLSA-N 2 2 248.330 0.717 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987606298 636654695 /nfs/dbraw/zinc/65/46/95/636654695.db2.gz WFSMVAJEHOZNIC-VXGBXAGGSA-N 2 2 248.330 0.648 20 30 BCEDLP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)CC#N ZINC000930311014 639697262 /nfs/dbraw/zinc/69/72/62/639697262.db2.gz WGOGQDXCIVCQEH-GFCCVEGCSA-N 2 2 225.336 0.679 20 30 BCEDLP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)CC#N ZINC000930311014 639697269 /nfs/dbraw/zinc/69/72/69/639697269.db2.gz WGOGQDXCIVCQEH-GFCCVEGCSA-N 2 2 225.336 0.679 20 30 BCEDLP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278483 640128190 /nfs/dbraw/zinc/12/81/90/640128190.db2.gz DTXDOSLHJKQGTH-WHOHXGKFSA-N 2 2 210.321 0.415 20 30 BCEDLP C=C(C)[C@H](CO)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278483 640128195 /nfs/dbraw/zinc/12/81/95/640128195.db2.gz DTXDOSLHJKQGTH-WHOHXGKFSA-N 2 2 210.321 0.415 20 30 BCEDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545454 640265435 /nfs/dbraw/zinc/26/54/35/640265435.db2.gz FGYDGNVNFQPKGZ-IJLUTSLNSA-N 2 2 223.320 0.287 20 30 BCEDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545454 640265428 /nfs/dbraw/zinc/26/54/28/640265428.db2.gz FGYDGNVNFQPKGZ-IJLUTSLNSA-N 2 2 223.320 0.287 20 30 BCEDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545454 640265419 /nfs/dbraw/zinc/26/54/19/640265419.db2.gz FGYDGNVNFQPKGZ-IJLUTSLNSA-N 2 2 223.320 0.287 20 30 BCEDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000931545454 640265423 /nfs/dbraw/zinc/26/54/23/640265423.db2.gz FGYDGNVNFQPKGZ-IJLUTSLNSA-N 2 2 223.320 0.287 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683690 641205515 /nfs/dbraw/zinc/20/55/15/641205515.db2.gz UNQMZCFLGMVUAP-UHFFFAOYSA-N 2 2 248.330 0.568 20 30 BCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014954108 641212584 /nfs/dbraw/zinc/21/25/84/641212584.db2.gz JNJSBAFMJLGMIK-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014954108 641212589 /nfs/dbraw/zinc/21/25/89/641212589.db2.gz JNJSBAFMJLGMIK-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014954108 641212595 /nfs/dbraw/zinc/21/25/95/641212595.db2.gz JNJSBAFMJLGMIK-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014954108 641212602 /nfs/dbraw/zinc/21/26/02/641212602.db2.gz JNJSBAFMJLGMIK-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030955712 641521544 /nfs/dbraw/zinc/52/15/44/641521544.db2.gz KDHBWZRGZJFBAF-LBPRGKRZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030955712 641521545 /nfs/dbraw/zinc/52/15/45/641521545.db2.gz KDHBWZRGZJFBAF-LBPRGKRZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031260947 641868006 /nfs/dbraw/zinc/86/80/06/641868006.db2.gz YXWOCRKQMWTYPU-LBPRGKRZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260947 641868009 /nfs/dbraw/zinc/86/80/09/641868009.db2.gz YXWOCRKQMWTYPU-LBPRGKRZSA-N 2 2 249.358 0.152 20 30 BCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031384895 642049287 /nfs/dbraw/zinc/04/92/87/642049287.db2.gz NVYPFQCJMDOKDU-LLVKDONJSA-N 2 2 237.347 0.315 20 30 BCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031384895 642049292 /nfs/dbraw/zinc/04/92/92/642049292.db2.gz NVYPFQCJMDOKDU-LLVKDONJSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476722 642195736 /nfs/dbraw/zinc/19/57/36/642195736.db2.gz CNWODDFRNUYNOJ-UHFFFAOYSA-N 2 2 234.303 0.260 20 30 BCEDLP C#CC[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000920096043 642434621 /nfs/dbraw/zinc/43/46/21/642434621.db2.gz UUDROTFGMTXVDF-GFCCVEGCSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CC[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000920096043 642434625 /nfs/dbraw/zinc/43/46/25/642434625.db2.gz UUDROTFGMTXVDF-GFCCVEGCSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939407605 642871200 /nfs/dbraw/zinc/87/12/00/642871200.db2.gz GTGWUQGYZACKLN-GHMZBOCLSA-N 2 2 246.314 0.022 20 30 BCEDLP CN1CCCc2cc(C=[NH+]NC(N)=[NH2+])ccc21 ZINC000252666919 642891657 /nfs/dbraw/zinc/89/16/57/642891657.db2.gz CTUVNSKWEAYIKI-UHFFFAOYSA-N 2 2 231.303 0.886 20 30 BCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016260770 642951433 /nfs/dbraw/zinc/95/14/33/642951433.db2.gz HLGNNJUZCYGJOM-CYBMUJFWSA-N 2 2 249.358 0.296 20 30 BCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016396591 642955778 /nfs/dbraw/zinc/95/57/78/642955778.db2.gz DZZWVKBKWRFZFC-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016396591 642955786 /nfs/dbraw/zinc/95/57/86/642955786.db2.gz DZZWVKBKWRFZFC-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000970580826 643468403 /nfs/dbraw/zinc/46/84/03/643468403.db2.gz YTUYDDQZVIWUCU-LLVKDONJSA-N 2 2 246.314 0.084 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923282201 644314021 /nfs/dbraw/zinc/31/40/21/644314021.db2.gz SQLQPTQCOMUQBN-RYUDHWBXSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923282201 644314024 /nfs/dbraw/zinc/31/40/24/644314024.db2.gz SQLQPTQCOMUQBN-RYUDHWBXSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426376 644419738 /nfs/dbraw/zinc/41/97/38/644419738.db2.gz TTXARFVIWOTKBO-NWDGAFQWSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426376 644419741 /nfs/dbraw/zinc/41/97/41/644419741.db2.gz TTXARFVIWOTKBO-NWDGAFQWSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923474892 644453399 /nfs/dbraw/zinc/45/33/99/644453399.db2.gz WWFGKWRZTZWCRE-NEPJUHHUSA-N 2 2 228.336 0.099 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923474892 644453403 /nfs/dbraw/zinc/45/34/03/644453403.db2.gz WWFGKWRZTZWCRE-NEPJUHHUSA-N 2 2 228.336 0.099 20 30 BCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000923552014 644495136 /nfs/dbraw/zinc/49/51/36/644495136.db2.gz RYYCHUKDWVHBSJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000923552014 644495140 /nfs/dbraw/zinc/49/51/40/644495140.db2.gz RYYCHUKDWVHBSJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000923552014 644495159 /nfs/dbraw/zinc/49/51/59/644495159.db2.gz RYYCHUKDWVHBSJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000923552014 644495164 /nfs/dbraw/zinc/49/51/64/644495164.db2.gz RYYCHUKDWVHBSJ-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C=CCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957892973 644757611 /nfs/dbraw/zinc/75/76/11/644757611.db2.gz CSDPEMHAYYGXIZ-UHFFFAOYSA-N 2 2 248.330 0.603 20 30 BCEDLP CCCCNC(=[NH2+])NCC[N@H+](C)CCOC ZINC000303987781 644864113 /nfs/dbraw/zinc/86/41/13/644864113.db2.gz VTRGCMDCBNWAAB-UHFFFAOYSA-N 2 2 230.356 0.269 20 30 BCEDLP CCCCNC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000303987781 644864118 /nfs/dbraw/zinc/86/41/18/644864118.db2.gz VTRGCMDCBNWAAB-UHFFFAOYSA-N 2 2 230.356 0.269 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928429535 645747260 /nfs/dbraw/zinc/74/72/60/645747260.db2.gz QYGYLBASIMFSPI-AGIUHOORSA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928429535 645747264 /nfs/dbraw/zinc/74/72/64/645747264.db2.gz QYGYLBASIMFSPI-AGIUHOORSA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928429535 645747271 /nfs/dbraw/zinc/74/72/71/645747271.db2.gz QYGYLBASIMFSPI-AGIUHOORSA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928429535 645747280 /nfs/dbraw/zinc/74/72/80/645747280.db2.gz QYGYLBASIMFSPI-AGIUHOORSA-N 2 2 249.358 0.293 20 30 BCEDLP N#CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929834268 646350618 /nfs/dbraw/zinc/35/06/18/646350618.db2.gz IHYQUVIQYPYDKO-CYBMUJFWSA-N 2 2 246.314 0.478 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000384139790 710990810 /nfs/dbraw/zinc/99/08/10/710990810.db2.gz FMKMIZXYJKJJLG-STQMWFEESA-N 2 2 224.348 0.833 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384139790 710990812 /nfs/dbraw/zinc/99/08/12/710990812.db2.gz FMKMIZXYJKJJLG-STQMWFEESA-N 2 2 224.348 0.833 20 30 BCEDLP C[C@@H](C#N)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384881464 710999770 /nfs/dbraw/zinc/99/97/70/710999770.db2.gz JXLTXULKGCEWHN-NNYUYHANSA-N 2 2 223.320 0.407 20 30 BCEDLP C[C@@H](C#N)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384881464 710999776 /nfs/dbraw/zinc/99/97/76/710999776.db2.gz JXLTXULKGCEWHN-NNYUYHANSA-N 2 2 223.320 0.407 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000384207543 710832799 /nfs/dbraw/zinc/83/27/99/710832799.db2.gz NUHFTSTURGARAS-QWHCGFSZSA-N 2 2 242.363 0.317 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000384207543 710832804 /nfs/dbraw/zinc/83/28/04/710832804.db2.gz NUHFTSTURGARAS-QWHCGFSZSA-N 2 2 242.363 0.317 20 30 BCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038094906 711840631 /nfs/dbraw/zinc/84/06/31/711840631.db2.gz IKOOGELUCGNYBW-RYUDHWBXSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038094906 711840633 /nfs/dbraw/zinc/84/06/33/711840633.db2.gz IKOOGELUCGNYBW-RYUDHWBXSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038094906 711840634 /nfs/dbraw/zinc/84/06/34/711840634.db2.gz IKOOGELUCGNYBW-RYUDHWBXSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038094906 711840635 /nfs/dbraw/zinc/84/06/35/711840635.db2.gz IKOOGELUCGNYBW-RYUDHWBXSA-N 2 2 237.347 0.457 20 30 BCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032474553 711920169 /nfs/dbraw/zinc/92/01/69/711920169.db2.gz DDILBYSSVKOWFV-RWMBFGLXSA-N 2 2 249.358 0.245 20 30 BCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032474553 711920171 /nfs/dbraw/zinc/92/01/71/711920171.db2.gz DDILBYSSVKOWFV-RWMBFGLXSA-N 2 2 249.358 0.245 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703549209 712078855 /nfs/dbraw/zinc/07/88/55/712078855.db2.gz GXCQZXOFKZNDOC-GMXVVIOVSA-N 2 2 237.347 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703549209 712078856 /nfs/dbraw/zinc/07/88/56/712078856.db2.gz GXCQZXOFKZNDOC-GMXVVIOVSA-N 2 2 237.347 0.218 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC1(OC)OC ZINC000710956407 712267667 /nfs/dbraw/zinc/26/76/67/712267667.db2.gz VJEQVTJCDCXTJI-GFCCVEGCSA-N 2 2 240.347 0.683 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC1(OC)OC ZINC000710956407 712267670 /nfs/dbraw/zinc/26/76/70/712267670.db2.gz VJEQVTJCDCXTJI-GFCCVEGCSA-N 2 2 240.347 0.683 20 30 BCEDLP C=CCOCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390616158 398175405 /nfs/dbraw/zinc/17/54/05/398175405.db2.gz CXVVIJYWPCFSTC-LBPRGKRZSA-N 2 2 228.336 0.234 20 30 BCEDLP C=CCOCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390616158 398175408 /nfs/dbraw/zinc/17/54/08/398175408.db2.gz CXVVIJYWPCFSTC-LBPRGKRZSA-N 2 2 228.336 0.234 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)nn1 ZINC000424291599 398180470 /nfs/dbraw/zinc/18/04/70/398180470.db2.gz DVHNERMDNOBEEG-AAEUAGOBSA-N 2 2 249.362 0.894 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)nn1 ZINC000424291599 398180474 /nfs/dbraw/zinc/18/04/74/398180474.db2.gz DVHNERMDNOBEEG-AAEUAGOBSA-N 2 2 249.362 0.894 20 30 BCEDLP C=CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554388 343988468 /nfs/dbraw/zinc/98/84/68/343988468.db2.gz USSYTAOOCCOOPS-UHFFFAOYSA-N 2 2 210.321 0.969 20 30 BCEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000336775867 398240568 /nfs/dbraw/zinc/24/05/68/398240568.db2.gz CXCRWUURHHJWFH-NSHDSACASA-N 2 2 228.336 0.234 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+]C[C@@H](C)CCC#N ZINC000602619570 349640656 /nfs/dbraw/zinc/64/06/56/349640656.db2.gz OXQIAVBAIQZWJV-LBPRGKRZSA-N 2 2 227.352 0.830 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](C)CCC#N ZINC000602619570 349640660 /nfs/dbraw/zinc/64/06/60/349640660.db2.gz OXQIAVBAIQZWJV-LBPRGKRZSA-N 2 2 227.352 0.830 20 30 BCEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000602728969 349717369 /nfs/dbraw/zinc/71/73/69/349717369.db2.gz FVHGDKBHUQOAGW-NEPJUHHUSA-N 2 2 225.336 0.582 20 30 BCEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000602728969 349717371 /nfs/dbraw/zinc/71/73/71/349717371.db2.gz FVHGDKBHUQOAGW-NEPJUHHUSA-N 2 2 225.336 0.582 20 30 BCEDLP COCC[N@H+](CCC#N)CCc1c[nH+]cn1C ZINC000602778674 349745136 /nfs/dbraw/zinc/74/51/36/349745136.db2.gz NARJILNKOFDHPM-UHFFFAOYSA-N 2 2 236.319 0.825 20 30 BCEDLP COCC[N@@H+](CCC#N)CCc1c[nH+]cn1C ZINC000602778674 349745137 /nfs/dbraw/zinc/74/51/37/349745137.db2.gz NARJILNKOFDHPM-UHFFFAOYSA-N 2 2 236.319 0.825 20 30 BCEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCC#N)C1 ZINC000602878113 349790343 /nfs/dbraw/zinc/79/03/43/349790343.db2.gz VPPBESRSQGTZKD-GFCCVEGCSA-N 2 2 225.336 0.679 20 30 BCEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCC#N)C1 ZINC000602878113 349790345 /nfs/dbraw/zinc/79/03/45/349790345.db2.gz VPPBESRSQGTZKD-GFCCVEGCSA-N 2 2 225.336 0.679 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336713964 136278384 /nfs/dbraw/zinc/27/83/84/136278384.db2.gz OTAXCZLGSITWEF-CYBMUJFWSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336713964 136278385 /nfs/dbraw/zinc/27/83/85/136278385.db2.gz OTAXCZLGSITWEF-CYBMUJFWSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[NH+](CCOC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336713964 136278386 /nfs/dbraw/zinc/27/83/86/136278386.db2.gz OTAXCZLGSITWEF-CYBMUJFWSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[NH+](CCOC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336713964 136278387 /nfs/dbraw/zinc/27/83/87/136278387.db2.gz OTAXCZLGSITWEF-CYBMUJFWSA-N 2 2 242.363 0.576 20 30 BCEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600715707 344362274 /nfs/dbraw/zinc/36/22/74/344362274.db2.gz HPYMFEGQVQTUCT-VXGBXAGGSA-N 2 2 248.330 0.916 20 30 BCEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721262 344363082 /nfs/dbraw/zinc/36/30/82/344363082.db2.gz KPKPKZGJUHISJS-RYUDHWBXSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721262 344363085 /nfs/dbraw/zinc/36/30/85/344363085.db2.gz KPKPKZGJUHISJS-RYUDHWBXSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729327 344363996 /nfs/dbraw/zinc/36/39/96/344363996.db2.gz XTLWKZKVGLIJKM-VXGBXAGGSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729327 344363998 /nfs/dbraw/zinc/36/39/98/344363998.db2.gz XTLWKZKVGLIJKM-VXGBXAGGSA-N 2 2 237.347 0.725 20 30 BCEDLP C=CCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792247 344534847 /nfs/dbraw/zinc/53/48/47/344534847.db2.gz OKHDDJAFJVMVPK-UHFFFAOYSA-N 2 2 248.330 0.822 20 30 BCEDLP N#CCCN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000601333238 347225459 /nfs/dbraw/zinc/22/54/59/347225459.db2.gz QSGVDDOEPNETMW-CYBMUJFWSA-N 2 2 236.363 0.517 20 30 BCEDLP N#CC[C@@]1(O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000592150466 347741500 /nfs/dbraw/zinc/74/15/00/347741500.db2.gz CZAYINASXJIULT-GFCCVEGCSA-N 2 2 234.303 0.624 20 30 BCEDLP N#CC[C@@]1(O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000592150466 347741502 /nfs/dbraw/zinc/74/15/02/347741502.db2.gz CZAYINASXJIULT-GFCCVEGCSA-N 2 2 234.303 0.624 20 30 BCEDLP N#CC[C@]1(O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000592150467 347741576 /nfs/dbraw/zinc/74/15/76/347741576.db2.gz CZAYINASXJIULT-LBPRGKRZSA-N 2 2 234.303 0.624 20 30 BCEDLP N#CC[C@]1(O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000592150467 347741578 /nfs/dbraw/zinc/74/15/78/347741578.db2.gz CZAYINASXJIULT-LBPRGKRZSA-N 2 2 234.303 0.624 20 30 BCEDLP N#Cc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000599011107 349075724 /nfs/dbraw/zinc/07/57/24/349075724.db2.gz YPHRJPLONAYMHD-CQSZACIVSA-N 2 2 245.326 0.714 20 30 BCEDLP N#Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000599011107 349075727 /nfs/dbraw/zinc/07/57/27/349075727.db2.gz YPHRJPLONAYMHD-CQSZACIVSA-N 2 2 245.326 0.714 20 30 BCEDLP C=C(C)COCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383675350 349295364 /nfs/dbraw/zinc/29/53/64/349295364.db2.gz PEUMCBAHSCMWOD-ZDUSSCGKSA-N 2 2 242.363 0.624 20 30 BCEDLP C=C(C)COCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383675350 349295367 /nfs/dbraw/zinc/29/53/67/349295367.db2.gz PEUMCBAHSCMWOD-ZDUSSCGKSA-N 2 2 242.363 0.624 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162703967 350417928 /nfs/dbraw/zinc/41/79/28/350417928.db2.gz HOYTVSIYBXVVEP-LBPRGKRZSA-N 2 2 237.347 0.411 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162703967 350417932 /nfs/dbraw/zinc/41/79/32/350417932.db2.gz HOYTVSIYBXVVEP-LBPRGKRZSA-N 2 2 237.347 0.411 20 30 BCEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000090322588 363039729 /nfs/dbraw/zinc/03/97/29/363039729.db2.gz GBVCAPUWDUATPT-RYUDHWBXSA-N 2 2 228.299 0.604 20 30 BCEDLP N#CCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331220517 353231466 /nfs/dbraw/zinc/23/14/66/353231466.db2.gz BMHJGKCZIVDADT-UHFFFAOYSA-N 2 2 247.302 0.229 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130399076 353350481 /nfs/dbraw/zinc/35/04/81/353350481.db2.gz HSZUEGKRPTWWIG-GFCCVEGCSA-N 2 2 248.330 0.343 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130399076 353350485 /nfs/dbraw/zinc/35/04/85/353350485.db2.gz HSZUEGKRPTWWIG-GFCCVEGCSA-N 2 2 248.330 0.343 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336776720 353480690 /nfs/dbraw/zinc/48/06/90/353480690.db2.gz GLDYMLILHFOELE-RYUDHWBXSA-N 2 2 225.336 0.582 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336776720 353480692 /nfs/dbraw/zinc/48/06/92/353480692.db2.gz GLDYMLILHFOELE-RYUDHWBXSA-N 2 2 225.336 0.582 20 30 BCEDLP Cc1cc(N2CCCO[C@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399066571 353763970 /nfs/dbraw/zinc/76/39/70/353763970.db2.gz KTZCCYQCTQCDNR-GFCCVEGCSA-N 2 2 246.314 0.816 20 30 BCEDLP C=C(C)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000351842894 356096346 /nfs/dbraw/zinc/09/63/46/356096346.db2.gz AUGHRMQYHLPADJ-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC([NH3+])C2)C1=O ZINC000420323768 192228091 /nfs/dbraw/zinc/22/80/91/192228091.db2.gz BLHACDOAZPRWKZ-VQXHTEKXSA-N 2 2 223.320 0.195 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC([NH3+])C2)C1=O ZINC000420323768 192228093 /nfs/dbraw/zinc/22/80/93/192228093.db2.gz BLHACDOAZPRWKZ-VQXHTEKXSA-N 2 2 223.320 0.195 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCC[NH2+]C)C1=O ZINC000420388545 192235625 /nfs/dbraw/zinc/23/56/25/192235625.db2.gz LGCAREUNAPVFJL-LLVKDONJSA-N 2 2 225.336 0.315 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)CCC[NH2+]C)C1=O ZINC000420388545 192235626 /nfs/dbraw/zinc/23/56/26/192235626.db2.gz LGCAREUNAPVFJL-LLVKDONJSA-N 2 2 225.336 0.315 20 30 BCEDLP CC#CC[NH+](C)CC#CC[N@@H+](C)CC#CC ZINC000293209529 491121515 /nfs/dbraw/zinc/12/15/15/491121515.db2.gz REGUDGQPBOSMDQ-UHFFFAOYSA-N 2 2 216.328 0.900 20 30 BCEDLP CC#CC[NH+](C)CC#CC[N@H+](C)CC#CC ZINC000293209529 491121516 /nfs/dbraw/zinc/12/15/16/491121516.db2.gz REGUDGQPBOSMDQ-UHFFFAOYSA-N 2 2 216.328 0.900 20 30 BCEDLP N#CCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129511178 358587649 /nfs/dbraw/zinc/58/76/49/358587649.db2.gz KRTOCORAAZONJX-CYBMUJFWSA-N 2 2 237.347 0.944 20 30 BCEDLP N#CCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129511178 358587653 /nfs/dbraw/zinc/58/76/53/358587653.db2.gz KRTOCORAAZONJX-CYBMUJFWSA-N 2 2 237.347 0.944 20 30 BCEDLP C#CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136068679 358861920 /nfs/dbraw/zinc/86/19/20/358861920.db2.gz VHKWHMBGVJFISM-CQSZACIVSA-N 2 2 235.375 0.722 20 30 BCEDLP C#CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136068679 358861922 /nfs/dbraw/zinc/86/19/22/358861922.db2.gz VHKWHMBGVJFISM-CQSZACIVSA-N 2 2 235.375 0.722 20 30 BCEDLP C[N@H+](C[C@H](O)C[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000574869725 365162291 /nfs/dbraw/zinc/16/22/91/365162291.db2.gz ZSDMZHUQRHWOHB-GFCCVEGCSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@@H+](C[C@H](O)C[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000574869725 365162296 /nfs/dbraw/zinc/16/22/96/365162296.db2.gz ZSDMZHUQRHWOHB-GFCCVEGCSA-N 2 2 237.347 0.725 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000581202173 367294870 /nfs/dbraw/zinc/29/48/70/367294870.db2.gz SBDCJUOWCYSQFT-VXGBXAGGSA-N 2 2 243.351 0.207 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000581202173 367294874 /nfs/dbraw/zinc/29/48/74/367294874.db2.gz SBDCJUOWCYSQFT-VXGBXAGGSA-N 2 2 243.351 0.207 20 30 BCEDLP CNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000066246662 368642240 /nfs/dbraw/zinc/64/22/40/368642240.db2.gz VLUDQCZAOZKMPT-UHFFFAOYSA-N 2 2 221.308 0.808 20 30 BCEDLP COCC[NH+]1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000309890095 370272232 /nfs/dbraw/zinc/27/22/32/370272232.db2.gz CBNLMCPCLCJZAC-NSHDSACASA-N 2 2 225.336 0.846 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888399 372682880 /nfs/dbraw/zinc/68/28/80/372682880.db2.gz YPBWVCHGCUDRMO-RYUDHWBXSA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888399 372682887 /nfs/dbraw/zinc/68/28/87/372682887.db2.gz YPBWVCHGCUDRMO-RYUDHWBXSA-N 2 2 237.347 0.363 20 30 BCEDLP C#CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363460678 384062855 /nfs/dbraw/zinc/06/28/55/384062855.db2.gz IZJQULWCNMIMNL-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP C#CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363460678 384062861 /nfs/dbraw/zinc/06/28/61/384062861.db2.gz IZJQULWCNMIMNL-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)NC(C)C ZINC000072592783 384227226 /nfs/dbraw/zinc/22/72/26/384227226.db2.gz SNQWIGODBSLCBB-UHFFFAOYSA-N 2 2 223.324 0.847 20 30 BCEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])N(C)C ZINC000162897272 384702134 /nfs/dbraw/zinc/70/21/34/384702134.db2.gz TUYZUSWNNKCQAB-UHFFFAOYSA-N 2 2 206.293 0.809 20 30 BCEDLP C[NH+]=C(NCCCn1cc[nH+]c1)NC1CC1 ZINC000103337667 384760671 /nfs/dbraw/zinc/76/06/71/384760671.db2.gz FZHIFSUSQWXTLI-UHFFFAOYSA-N 2 2 221.308 0.601 20 30 BCEDLP C[NH+](C)C1CC[NH+](CCOCCC#N)CC1 ZINC000338905915 384961493 /nfs/dbraw/zinc/96/14/93/384961493.db2.gz SSUOWUKMUDVXBP-UHFFFAOYSA-N 2 2 225.336 0.943 20 30 BCEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470591 385884572 /nfs/dbraw/zinc/88/45/72/385884572.db2.gz NPQKSVCRUIPLDP-MNOVXSKESA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC000123470591 385884574 /nfs/dbraw/zinc/88/45/74/385884574.db2.gz NPQKSVCRUIPLDP-MNOVXSKESA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470591 385884577 /nfs/dbraw/zinc/88/45/77/385884577.db2.gz NPQKSVCRUIPLDP-MNOVXSKESA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470591 385884581 /nfs/dbraw/zinc/88/45/81/385884581.db2.gz NPQKSVCRUIPLDP-MNOVXSKESA-N 2 2 238.335 0.041 20 30 BCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442780335 387838983 /nfs/dbraw/zinc/83/89/83/387838983.db2.gz KFMGSVQWHBFCGH-YNEHKIRRSA-N 2 2 236.363 0.514 20 30 BCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442780335 387838986 /nfs/dbraw/zinc/83/89/86/387838986.db2.gz KFMGSVQWHBFCGH-YNEHKIRRSA-N 2 2 236.363 0.514 20 30 BCEDLP C#CC[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000491693823 388311519 /nfs/dbraw/zinc/31/15/19/388311519.db2.gz LICRITZCKIRCEM-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000491693823 388311520 /nfs/dbraw/zinc/31/15/20/388311520.db2.gz LICRITZCKIRCEM-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491693823 388311521 /nfs/dbraw/zinc/31/15/21/388311521.db2.gz LICRITZCKIRCEM-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000491693823 388311522 /nfs/dbraw/zinc/31/15/22/388311522.db2.gz LICRITZCKIRCEM-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@@H](C)[NH+](C)CC1(C[N@@H+](C)[C@H](C)C#C)COC1 ZINC000491704761 388313140 /nfs/dbraw/zinc/31/31/40/388313140.db2.gz BSZGQCWQZQURKX-ZIAGYGMSSA-N 2 2 248.370 0.910 20 30 BCEDLP C#C[C@@H](C)[NH+](C)CC1(C[N@H+](C)[C@H](C)C#C)COC1 ZINC000491704761 388313141 /nfs/dbraw/zinc/31/31/41/388313141.db2.gz BSZGQCWQZQURKX-ZIAGYGMSSA-N 2 2 248.370 0.910 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)C[C@@H]2C)CC1 ZINC000491039367 388266389 /nfs/dbraw/zinc/26/63/89/388266389.db2.gz OERIEDLEMNTSBV-BETUJISGSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)CC1 ZINC000491039367 388266391 /nfs/dbraw/zinc/26/63/91/388266391.db2.gz OERIEDLEMNTSBV-BETUJISGSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491073492 388268867 /nfs/dbraw/zinc/26/88/67/388268867.db2.gz ZUOBHOPAJFTYGP-UHFFFAOYSA-N 2 2 237.347 0.104 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491073492 388268870 /nfs/dbraw/zinc/26/88/70/388268870.db2.gz ZUOBHOPAJFTYGP-UHFFFAOYSA-N 2 2 237.347 0.104 20 30 BCEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303385321 134233514 /nfs/dbraw/zinc/23/35/14/134233514.db2.gz VJGLBQOXKLVFOJ-NXEZZACHSA-N 2 2 228.340 0.020 20 30 BCEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303385321 134233515 /nfs/dbraw/zinc/23/35/15/134233515.db2.gz VJGLBQOXKLVFOJ-NXEZZACHSA-N 2 2 228.340 0.020 20 30 BCEDLP CNC(=[NH2+])N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262015723 135114022 /nfs/dbraw/zinc/11/40/22/135114022.db2.gz XQCKTJZDBCGNEZ-NXEZZACHSA-N 2 2 221.308 0.711 20 30 BCEDLP CN/C(=[NH+]/C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262000375 135114267 /nfs/dbraw/zinc/11/42/67/135114267.db2.gz UFTUZDMYJRULLV-WDEREUQCSA-N 2 2 235.335 0.971 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC1CC1 ZINC000262102533 135115393 /nfs/dbraw/zinc/11/53/93/135115393.db2.gz JARXXIBVXMTSCT-UHFFFAOYSA-N 2 2 207.281 0.211 20 30 BCEDLP COC[C@@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264121165 135134148 /nfs/dbraw/zinc/13/41/48/135134148.db2.gz RBFSQDBEDNLTSZ-SNVBAGLBSA-N 2 2 239.323 0.212 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562977 135205280 /nfs/dbraw/zinc/20/52/80/135205280.db2.gz WUDZZRFANDOYLR-SDDRHHMPSA-N 2 2 237.347 0.361 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562977 135205281 /nfs/dbraw/zinc/20/52/81/135205281.db2.gz WUDZZRFANDOYLR-SDDRHHMPSA-N 2 2 237.347 0.361 20 30 BCEDLP C=CC[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000261563838 135206413 /nfs/dbraw/zinc/20/64/13/135206413.db2.gz CBYBBQRXIQOOSC-UHFFFAOYSA-N 2 2 210.281 0.881 20 30 BCEDLP C=CC[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000261563838 135206414 /nfs/dbraw/zinc/20/64/14/135206414.db2.gz CBYBBQRXIQOOSC-UHFFFAOYSA-N 2 2 210.281 0.881 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000261582367 135223516 /nfs/dbraw/zinc/22/35/16/135223516.db2.gz OGPWHVQMRKGQDZ-SECBINFHSA-N 2 2 211.309 0.148 20 30 BCEDLP C=CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649625623 398010023 /nfs/dbraw/zinc/01/00/23/398010023.db2.gz OZIPXWMCAMLBGL-UHFFFAOYSA-N 2 2 224.348 0.999 20 30 BCEDLP C=CCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643479670 398106823 /nfs/dbraw/zinc/10/68/23/398106823.db2.gz YZEVEVBADXNOFK-QWHCGFSZSA-N 2 2 240.347 0.546 20 30 BCEDLP C=CCOCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643479669 398106879 /nfs/dbraw/zinc/10/68/79/398106879.db2.gz YZEVEVBADXNOFK-OLZOCXBDSA-N 2 2 240.347 0.546 20 30 BCEDLP C#CC[NH+](CC)CC(O)C[N@H+](CC)CC#C ZINC000278127745 166167860 /nfs/dbraw/zinc/16/78/60/166167860.db2.gz VWAVLKZRCWFPNS-UHFFFAOYSA-N 2 2 222.332 0.258 20 30 BCEDLP C#CC[NH+](CC)CC(O)C[N@@H+](CC)CC#C ZINC000278127745 166167861 /nfs/dbraw/zinc/16/78/61/166167861.db2.gz VWAVLKZRCWFPNS-UHFFFAOYSA-N 2 2 222.332 0.258 20 30 BCEDLP C=CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000157163977 166265323 /nfs/dbraw/zinc/26/53/23/166265323.db2.gz KLKAPPRSBNMEBC-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000036754050 166387114 /nfs/dbraw/zinc/38/71/14/166387114.db2.gz OEPFUSAOSXRKGO-VIFPVBQESA-N 2 2 211.309 0.100 20 30 BCEDLP C=CCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000653636193 411153761 /nfs/dbraw/zinc/15/37/61/411153761.db2.gz VITZJEGJOOHXLN-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CCC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000653636193 411153764 /nfs/dbraw/zinc/15/37/64/411153764.db2.gz VITZJEGJOOHXLN-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000653636193 411153767 /nfs/dbraw/zinc/15/37/67/411153767.db2.gz VITZJEGJOOHXLN-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CCC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000653636193 411153772 /nfs/dbraw/zinc/15/37/72/411153772.db2.gz VITZJEGJOOHXLN-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000294080326 411192595 /nfs/dbraw/zinc/19/25/95/411192595.db2.gz WQMHBKUAPBREES-UHFFFAOYSA-N 2 2 248.330 0.332 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000294080326 411192600 /nfs/dbraw/zinc/19/26/00/411192600.db2.gz WQMHBKUAPBREES-UHFFFAOYSA-N 2 2 248.330 0.332 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000294080326 411192602 /nfs/dbraw/zinc/19/26/02/411192602.db2.gz WQMHBKUAPBREES-UHFFFAOYSA-N 2 2 248.330 0.332 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000294080326 411192606 /nfs/dbraw/zinc/19/26/06/411192606.db2.gz WQMHBKUAPBREES-UHFFFAOYSA-N 2 2 248.330 0.332 20 30 BCEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000304276118 411358448 /nfs/dbraw/zinc/35/84/48/411358448.db2.gz WKZJZAVQWVKJFY-NWDGAFQWSA-N 2 2 228.336 0.546 20 30 BCEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000594425538 411966518 /nfs/dbraw/zinc/96/65/18/411966518.db2.gz KTKFOMJNUWBVPO-JTQLQIEISA-N 2 2 247.302 1.014 20 30 BCEDLP C=CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662255951 412052018 /nfs/dbraw/zinc/05/20/18/412052018.db2.gz STAIUWUFFVPNIC-LBPRGKRZSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665237840 412179004 /nfs/dbraw/zinc/17/90/04/412179004.db2.gz KYADOZJJYWQKCT-VXGBXAGGSA-N 2 2 210.321 0.919 20 30 BCEDLP C=CCOCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665263792 412207817 /nfs/dbraw/zinc/20/78/17/412207817.db2.gz UVIFZIATKOCKOH-OLZOCXBDSA-N 2 2 242.363 0.936 20 30 BCEDLP C=CC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000662731490 412286583 /nfs/dbraw/zinc/28/65/83/412286583.db2.gz DXHCXRUAKOGJFU-LBPRGKRZSA-N 2 2 234.303 0.724 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000570836015 323072090 /nfs/dbraw/zinc/07/20/90/323072090.db2.gz APHQVMOFCRTAQC-GHMZBOCLSA-N 2 2 212.337 0.996 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068789 323195670 /nfs/dbraw/zinc/19/56/70/323195670.db2.gz NOXVWJJOTKYQIH-LLVKDONJSA-N 2 2 248.330 0.512 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068789 323195671 /nfs/dbraw/zinc/19/56/71/323195671.db2.gz NOXVWJJOTKYQIH-LLVKDONJSA-N 2 2 248.330 0.512 20 30 BCEDLP C=C1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000567482949 326201763 /nfs/dbraw/zinc/20/17/63/326201763.db2.gz CYITYRXFSVWIMZ-GFCCVEGCSA-N 2 2 212.337 0.951 20 30 BCEDLP C=C1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000567482949 326201766 /nfs/dbraw/zinc/20/17/66/326201766.db2.gz CYITYRXFSVWIMZ-GFCCVEGCSA-N 2 2 212.337 0.951 20 30 BCEDLP C=C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000336363443 534463202 /nfs/dbraw/zinc/46/32/02/534463202.db2.gz XNNCVDGMZOVNHK-UHFFFAOYSA-N 2 2 237.347 0.412 20 30 BCEDLP CC#CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000120746952 534709434 /nfs/dbraw/zinc/70/94/34/534709434.db2.gz FLNXBXNUBZFUSP-UHFFFAOYSA-N 2 2 224.348 0.788 20 30 BCEDLP CC#CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000120746952 534709437 /nfs/dbraw/zinc/70/94/37/534709437.db2.gz FLNXBXNUBZFUSP-UHFFFAOYSA-N 2 2 224.348 0.788 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000491712492 526981818 /nfs/dbraw/zinc/98/18/18/526981818.db2.gz YOJNYYVQGIUWMG-UHFFFAOYSA-N 2 2 248.330 0.392 20 30 BCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1C[C@H]1C ZINC000262788021 535262161 /nfs/dbraw/zinc/26/21/61/535262161.db2.gz JYVVDMPYZKMNFD-MNOVXSKESA-N 2 2 235.335 0.847 20 30 BCEDLP Cc1[nH+]cc(C=NNCCCn2cc[nH+]c2)n1C ZINC000853371660 588738790 /nfs/dbraw/zinc/73/87/90/588738790.db2.gz ANMRLLMKTBSELN-UHFFFAOYSA-N 2 2 246.318 0.939 20 30 BCEDLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157006 583607785 /nfs/dbraw/zinc/60/77/85/583607785.db2.gz KQEDDNOFIJCQPV-SNVBAGLBSA-N 2 2 238.291 0.373 20 30 BCEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159422 583609284 /nfs/dbraw/zinc/60/92/84/583609284.db2.gz VMCBYLAIGUBPEY-OUAUKWLOSA-N 2 2 241.335 0.439 20 30 BCEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@H+]1C ZINC000895159422 583609286 /nfs/dbraw/zinc/60/92/86/583609286.db2.gz VMCBYLAIGUBPEY-OUAUKWLOSA-N 2 2 241.335 0.439 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888361 588921181 /nfs/dbraw/zinc/92/11/81/588921181.db2.gz YSVJPYYJFPDQHT-SNVBAGLBSA-N 2 2 234.303 0.042 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCc1c[nH+]c[nH]1 ZINC000900779527 584350067 /nfs/dbraw/zinc/35/00/67/584350067.db2.gz BTVDKBOZNQSQDR-UHFFFAOYSA-N 2 2 222.292 0.534 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCc1c[nH]c[nH+]1 ZINC000900779527 584350069 /nfs/dbraw/zinc/35/00/69/584350069.db2.gz BTVDKBOZNQSQDR-UHFFFAOYSA-N 2 2 222.292 0.534 20 30 BCEDLP CC(=[NH+]NCCc1ccncc1)c1c[nH]c(N)[nH+]1 ZINC000901234078 584404692 /nfs/dbraw/zinc/40/46/92/584404692.db2.gz CSCXSCNOJDEQKM-UHFFFAOYSA-N 2 2 244.302 0.943 20 30 BCEDLP N#C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563704 584782103 /nfs/dbraw/zinc/78/21/03/584782103.db2.gz JXXKJXCWNKFLQJ-NWDGAFQWSA-N 2 2 235.331 0.743 20 30 BCEDLP N#C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563704 584782104 /nfs/dbraw/zinc/78/21/04/584782104.db2.gz JXXKJXCWNKFLQJ-NWDGAFQWSA-N 2 2 235.331 0.743 20 30 BCEDLP Cn1c[nH+]cc1C=NNCC[NH+]1CCCCC1 ZINC000755657661 585303466 /nfs/dbraw/zinc/30/34/66/585303466.db2.gz PJYRTRSILVMXHZ-UHFFFAOYSA-N 2 2 235.335 0.830 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759965769 585383428 /nfs/dbraw/zinc/38/34/28/585383428.db2.gz IJFOKJHUECHATE-GFCCVEGCSA-N 2 2 237.347 0.152 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759965769 585383429 /nfs/dbraw/zinc/38/34/29/585383429.db2.gz IJFOKJHUECHATE-GFCCVEGCSA-N 2 2 237.347 0.152 20 30 BCEDLP C#CCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000766900662 585510445 /nfs/dbraw/zinc/51/04/45/585510445.db2.gz OEOSXLBUEKNARY-UHFFFAOYSA-N 2 2 246.358 0.951 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000769961858 585567483 /nfs/dbraw/zinc/56/74/83/585567483.db2.gz OENTUYRNSWAZJM-VXGBXAGGSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000769961858 585567484 /nfs/dbraw/zinc/56/74/84/585567484.db2.gz OENTUYRNSWAZJM-VXGBXAGGSA-N 2 2 210.321 0.397 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1[nH]cc[nH+]1 ZINC000798291493 586142263 /nfs/dbraw/zinc/14/22/63/586142263.db2.gz TUTUJRVTIABONX-UHFFFAOYSA-N 2 2 208.265 0.144 20 30 BCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000846856862 588293704 /nfs/dbraw/zinc/29/37/04/588293704.db2.gz DMSOPPVGUWSSJJ-AVGNSLFASA-N 2 2 240.347 0.069 20 30 BCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@@H]1CCCO1 ZINC000846856862 588293705 /nfs/dbraw/zinc/29/37/05/588293705.db2.gz DMSOPPVGUWSSJJ-AVGNSLFASA-N 2 2 240.347 0.069 20 30 BCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000846856860 588293726 /nfs/dbraw/zinc/29/37/26/588293726.db2.gz DMSOPPVGUWSSJJ-AGIUHOORSA-N 2 2 240.347 0.069 20 30 BCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCO1 ZINC000846856860 588293727 /nfs/dbraw/zinc/29/37/27/588293727.db2.gz DMSOPPVGUWSSJJ-AGIUHOORSA-N 2 2 240.347 0.069 20 30 BCEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000847024076 588303723 /nfs/dbraw/zinc/30/37/23/588303723.db2.gz PIDZKDKUAUXRJP-CYBMUJFWSA-N 2 2 249.358 0.106 20 30 BCEDLP C#C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000847024076 588303724 /nfs/dbraw/zinc/30/37/24/588303724.db2.gz PIDZKDKUAUXRJP-CYBMUJFWSA-N 2 2 249.358 0.106 20 30 BCEDLP C[C@H]1C[N@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000848999468 588430356 /nfs/dbraw/zinc/43/03/56/588430356.db2.gz JEOSSEUUVBCKOO-NSHDSACASA-N 2 2 242.367 0.186 20 30 BCEDLP C[C@H]1C[N@@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000848999468 588430358 /nfs/dbraw/zinc/43/03/58/588430358.db2.gz JEOSSEUUVBCKOO-NSHDSACASA-N 2 2 242.367 0.186 20 30 BCEDLP CN(C)C(=[NH+]CCc1cn(C)c[nH+]1)N(C)C ZINC000849039970 588447256 /nfs/dbraw/zinc/44/72/56/588447256.db2.gz BNGCDKPKIVRFRU-UHFFFAOYSA-N 2 2 223.324 0.442 20 30 BCEDLP C#CCOCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000851867336 588636986 /nfs/dbraw/zinc/63/69/86/588636986.db2.gz DSNBJRNEVAAALH-LBPRGKRZSA-N 2 2 233.315 0.859 20 30 BCEDLP C#CCOCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000851867336 588636987 /nfs/dbraw/zinc/63/69/87/588636987.db2.gz DSNBJRNEVAAALH-LBPRGKRZSA-N 2 2 233.315 0.859 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861761293 589177030 /nfs/dbraw/zinc/17/70/30/589177030.db2.gz BIMPWNOSGXQROV-UHFFFAOYSA-N 2 2 234.303 0.412 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861761293 589177031 /nfs/dbraw/zinc/17/70/31/589177031.db2.gz BIMPWNOSGXQROV-UHFFFAOYSA-N 2 2 234.303 0.412 20 30 BCEDLP C[C@@H]1CNC(NN=C2CC[N@H+](C)[C@@H]2C)=[NH+]1 ZINC000872364621 589920905 /nfs/dbraw/zinc/92/09/05/589920905.db2.gz PGUSDZZBLNFJCO-HTQZYQBOSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@@H]1CNC(NN=C2CC[N@@H+](C)[C@@H]2C)=[NH+]1 ZINC000872364621 589920906 /nfs/dbraw/zinc/92/09/06/589920906.db2.gz PGUSDZZBLNFJCO-HTQZYQBOSA-N 2 2 209.297 0.004 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572374 590809190 /nfs/dbraw/zinc/80/91/90/590809190.db2.gz PODYNTMEKSJGIY-NEPJUHHUSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572374 590809193 /nfs/dbraw/zinc/80/91/93/590809193.db2.gz PODYNTMEKSJGIY-NEPJUHHUSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572374 590809194 /nfs/dbraw/zinc/80/91/94/590809194.db2.gz PODYNTMEKSJGIY-NEPJUHHUSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572374 590809198 /nfs/dbraw/zinc/80/91/98/590809198.db2.gz PODYNTMEKSJGIY-NEPJUHHUSA-N 2 2 237.347 0.315 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579284 590816748 /nfs/dbraw/zinc/81/67/48/590816748.db2.gz ZAQHLTQAQZOHEL-QWHCGFSZSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579284 590816743 /nfs/dbraw/zinc/81/67/43/590816743.db2.gz ZAQHLTQAQZOHEL-QWHCGFSZSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579284 590816746 /nfs/dbraw/zinc/81/67/46/590816746.db2.gz ZAQHLTQAQZOHEL-QWHCGFSZSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579284 590816750 /nfs/dbraw/zinc/81/67/50/590816750.db2.gz ZAQHLTQAQZOHEL-QWHCGFSZSA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880137768 590940776 /nfs/dbraw/zinc/94/07/76/590940776.db2.gz KNBMGMOWSNAQMX-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880137768 590940778 /nfs/dbraw/zinc/94/07/78/590940778.db2.gz KNBMGMOWSNAQMX-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880137768 590940780 /nfs/dbraw/zinc/94/07/80/590940780.db2.gz KNBMGMOWSNAQMX-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880137768 590940783 /nfs/dbraw/zinc/94/07/83/590940783.db2.gz KNBMGMOWSNAQMX-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CC[N@H+](C)CCCNc1cc(CO)cc[nH+]1 ZINC000882402675 591343113 /nfs/dbraw/zinc/34/31/13/591343113.db2.gz QRKFSGUYNOQLGZ-UHFFFAOYSA-N 2 2 233.315 0.941 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1cc(CO)cc[nH+]1 ZINC000882402675 591343118 /nfs/dbraw/zinc/34/31/18/591343118.db2.gz QRKFSGUYNOQLGZ-UHFFFAOYSA-N 2 2 233.315 0.941 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)nn1 ZINC000883131189 591546310 /nfs/dbraw/zinc/54/63/10/591546310.db2.gz NADLTNODIVNVMN-UHFFFAOYSA-N 2 2 232.331 0.830 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)nn1 ZINC000883131189 591546311 /nfs/dbraw/zinc/54/63/11/591546311.db2.gz NADLTNODIVNVMN-UHFFFAOYSA-N 2 2 232.331 0.830 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nn(CC)nc1C ZINC000883131203 591546620 /nfs/dbraw/zinc/54/66/20/591546620.db2.gz OEVFLKHVXLUNBP-UHFFFAOYSA-N 2 2 249.362 0.651 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nn(CC)nc1C ZINC000883131203 591546622 /nfs/dbraw/zinc/54/66/22/591546622.db2.gz OEVFLKHVXLUNBP-UHFFFAOYSA-N 2 2 249.362 0.651 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000886211160 592177623 /nfs/dbraw/zinc/17/76/23/592177623.db2.gz KFVUYLWVBSUDOF-RDBSUJKOSA-N 2 2 235.375 0.624 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000886211160 592177625 /nfs/dbraw/zinc/17/76/25/592177625.db2.gz KFVUYLWVBSUDOF-RDBSUJKOSA-N 2 2 235.375 0.624 20 30 BCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010383363 635482375 /nfs/dbraw/zinc/48/23/75/635482375.db2.gz VIMAJRGAKHGXIA-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010383363 635482378 /nfs/dbraw/zinc/48/23/78/635482378.db2.gz VIMAJRGAKHGXIA-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010383363 635482381 /nfs/dbraw/zinc/48/23/81/635482381.db2.gz VIMAJRGAKHGXIA-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010383363 635482386 /nfs/dbraw/zinc/48/23/86/635482386.db2.gz VIMAJRGAKHGXIA-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022774942 631915687 /nfs/dbraw/zinc/91/56/87/631915687.db2.gz FWPFEWZXFNOIIL-PHIMTYICSA-N 2 2 248.330 0.765 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000156373581 632131020 /nfs/dbraw/zinc/13/10/20/632131020.db2.gz UVCBHJZLLOWTPD-STQMWFEESA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000156373581 632131028 /nfs/dbraw/zinc/13/10/28/632131028.db2.gz UVCBHJZLLOWTPD-STQMWFEESA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000156373581 632131034 /nfs/dbraw/zinc/13/10/34/632131034.db2.gz UVCBHJZLLOWTPD-STQMWFEESA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000156373581 632131041 /nfs/dbraw/zinc/13/10/41/632131041.db2.gz UVCBHJZLLOWTPD-STQMWFEESA-N 2 2 249.358 0.152 20 30 BCEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925681808 634282603 /nfs/dbraw/zinc/28/26/03/634282603.db2.gz QPXFKDKVVVCAJW-SRVKXCTJSA-N 2 2 223.320 0.647 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987069302 636622018 /nfs/dbraw/zinc/62/20/18/636622018.db2.gz PLYQIIPSSHUSCD-CMPLNLGQSA-N 2 2 248.330 0.717 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987262017 636642917 /nfs/dbraw/zinc/64/29/17/636642917.db2.gz SWXCTBIRURHFIY-GHMZBOCLSA-N 2 2 246.314 0.164 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987262020 636643384 /nfs/dbraw/zinc/64/33/84/636643384.db2.gz SWXCTBIRURHFIY-MNOVXSKESA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987262973 636644248 /nfs/dbraw/zinc/64/42/48/636644248.db2.gz XBWCWBZXSGQEBD-QWRGUYRKSA-N 2 2 248.330 0.717 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987605221 636654383 /nfs/dbraw/zinc/65/43/83/636654383.db2.gz OTBFDOMUQKKPAP-NWDGAFQWSA-N 2 2 246.314 0.095 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999619 637225371 /nfs/dbraw/zinc/22/53/71/637225371.db2.gz HRTHIRONSSIVGZ-UHFFFAOYSA-N 2 2 236.319 0.761 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162160 640645361 /nfs/dbraw/zinc/64/53/61/640645361.db2.gz SXSAHKRDSUKRQE-GFCCVEGCSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162160 640645362 /nfs/dbraw/zinc/64/53/62/640645362.db2.gz SXSAHKRDSUKRQE-GFCCVEGCSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000934464073 641151210 /nfs/dbraw/zinc/15/12/10/641151210.db2.gz MCLAEJNBUSOOMQ-QWHCGFSZSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000934464073 641151216 /nfs/dbraw/zinc/15/12/16/641151216.db2.gz MCLAEJNBUSOOMQ-QWHCGFSZSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000934464073 641151223 /nfs/dbraw/zinc/15/12/23/641151223.db2.gz MCLAEJNBUSOOMQ-QWHCGFSZSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000934464073 641151229 /nfs/dbraw/zinc/15/12/29/641151229.db2.gz MCLAEJNBUSOOMQ-QWHCGFSZSA-N 2 2 242.363 0.576 20 30 BCEDLP C=C(C)C[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030682833 641196477 /nfs/dbraw/zinc/19/64/77/641196477.db2.gz ADZQZEIKEHNTAN-UHFFFAOYSA-N 2 2 248.330 0.568 20 30 BCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014954111 641212768 /nfs/dbraw/zinc/21/27/68/641212768.db2.gz JNJSBAFMJLGMIK-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014954111 641212774 /nfs/dbraw/zinc/21/27/74/641212774.db2.gz JNJSBAFMJLGMIK-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014954111 641212780 /nfs/dbraw/zinc/21/27/80/641212780.db2.gz JNJSBAFMJLGMIK-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014954111 641212783 /nfs/dbraw/zinc/21/27/83/641212783.db2.gz JNJSBAFMJLGMIK-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968872110 642820126 /nfs/dbraw/zinc/82/01/26/642820126.db2.gz NPAIZTZHDOBUEV-GFCCVEGCSA-N 2 2 246.314 0.166 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000968872110 642820129 /nfs/dbraw/zinc/82/01/29/642820129.db2.gz NPAIZTZHDOBUEV-GFCCVEGCSA-N 2 2 246.314 0.166 20 30 BCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015285731 642898454 /nfs/dbraw/zinc/89/84/54/642898454.db2.gz JEIAJYJCOYBLAC-GFCCVEGCSA-N 2 2 246.314 0.015 20 30 BCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015285731 642898456 /nfs/dbraw/zinc/89/84/56/642898456.db2.gz JEIAJYJCOYBLAC-GFCCVEGCSA-N 2 2 246.314 0.015 20 30 BCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394694 642951974 /nfs/dbraw/zinc/95/19/74/642951974.db2.gz ROOYEQAAFJSXCO-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016260774 642952010 /nfs/dbraw/zinc/95/20/10/642952010.db2.gz HLGNNJUZCYGJOM-ZDUSSCGKSA-N 2 2 249.358 0.296 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020929950 643338100 /nfs/dbraw/zinc/33/81/00/643338100.db2.gz IZPIPXNPABZZOO-XYPYZODXSA-N 2 2 248.330 0.385 20 30 BCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032314574 643492374 /nfs/dbraw/zinc/49/23/74/643492374.db2.gz ZYNRFNDSURMGDV-AVGNSLFASA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032314574 643492378 /nfs/dbraw/zinc/49/23/78/643492378.db2.gz ZYNRFNDSURMGDV-AVGNSLFASA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032314574 643492381 /nfs/dbraw/zinc/49/23/81/643492381.db2.gz ZYNRFNDSURMGDV-AVGNSLFASA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032314574 643492383 /nfs/dbraw/zinc/49/23/83/643492383.db2.gz ZYNRFNDSURMGDV-AVGNSLFASA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032314575 643492553 /nfs/dbraw/zinc/49/25/53/643492553.db2.gz ZYNRFNDSURMGDV-RWMBFGLXSA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032314575 643492563 /nfs/dbraw/zinc/49/25/63/643492563.db2.gz ZYNRFNDSURMGDV-RWMBFGLXSA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032314575 643492568 /nfs/dbraw/zinc/49/25/68/643492568.db2.gz ZYNRFNDSURMGDV-RWMBFGLXSA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032314575 643492571 /nfs/dbraw/zinc/49/25/71/643492571.db2.gz ZYNRFNDSURMGDV-RWMBFGLXSA-N 2 2 249.358 0.552 20 30 BCEDLP C=CC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997121849 643586326 /nfs/dbraw/zinc/58/63/26/643586326.db2.gz BNGQQOMUINQQQY-UHFFFAOYSA-N 2 2 248.330 0.719 20 30 BCEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000317081 643775663 /nfs/dbraw/zinc/77/56/63/643775663.db2.gz IIGKJDJYBJBIKH-LLVKDONJSA-N 2 2 248.330 0.719 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000923299028 644325494 /nfs/dbraw/zinc/32/54/94/644325494.db2.gz WIXXVQWUEXPTQY-SDDRHHMPSA-N 2 2 228.336 0.362 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000923299028 644325499 /nfs/dbraw/zinc/32/54/99/644325499.db2.gz WIXXVQWUEXPTQY-SDDRHHMPSA-N 2 2 228.336 0.362 20 30 BCEDLP C[C@@H]1C[NH+]=C(NN=Cc2c[nH+]ccc2N(C)C)N1 ZINC000779798754 644716817 /nfs/dbraw/zinc/71/68/17/644716817.db2.gz GDKTYVYLXMXVGP-SECBINFHSA-N 2 2 246.318 0.419 20 30 BCEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925654192 646392799 /nfs/dbraw/zinc/39/27/99/646392799.db2.gz DLZHEIACXJXGBA-UPJWGTAASA-N 2 2 240.347 0.546 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000384207540 710831632 /nfs/dbraw/zinc/83/16/32/710831632.db2.gz NUHFTSTURGARAS-CHWSQXEVSA-N 2 2 242.363 0.317 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000384207540 710831635 /nfs/dbraw/zinc/83/16/35/710831635.db2.gz NUHFTSTURGARAS-CHWSQXEVSA-N 2 2 242.363 0.317 20 30 BCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038119355 711801379 /nfs/dbraw/zinc/80/13/79/711801379.db2.gz VVDGMGNQHBTILJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038119355 711801381 /nfs/dbraw/zinc/80/13/81/711801381.db2.gz VVDGMGNQHBTILJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038119355 711801382 /nfs/dbraw/zinc/80/13/82/711801382.db2.gz VVDGMGNQHBTILJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038119355 711801383 /nfs/dbraw/zinc/80/13/83/711801383.db2.gz VVDGMGNQHBTILJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783817 711938627 /nfs/dbraw/zinc/93/86/27/711938627.db2.gz UEPYPHFTDRSLME-STQMWFEESA-N 2 2 247.342 0.001 20 30 BCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783817 711938629 /nfs/dbraw/zinc/93/86/29/711938629.db2.gz UEPYPHFTDRSLME-STQMWFEESA-N 2 2 247.342 0.001 20 30 BCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457286 711991982 /nfs/dbraw/zinc/99/19/82/711991982.db2.gz HNVMAYGZCJSZRQ-GFCCVEGCSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457286 711991983 /nfs/dbraw/zinc/99/19/83/711991983.db2.gz HNVMAYGZCJSZRQ-GFCCVEGCSA-N 2 2 246.314 0.118 20 30 BCEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033456774 711992506 /nfs/dbraw/zinc/99/25/06/711992506.db2.gz ANRHTMUJGJBYDI-LBPRGKRZSA-N 2 2 248.330 0.671 20 30 BCEDLP C#CC1(O)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000708133597 712182388 /nfs/dbraw/zinc/18/23/88/712182388.db2.gz IOAOICIBZUHQOV-UHFFFAOYSA-N 2 2 233.315 0.652 20 30 BCEDLP C=CC[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001165032582 721869239 /nfs/dbraw/zinc/86/92/39/721869239.db2.gz ZPTSCAMTZKRTLV-UHFFFAOYSA-N 2 2 219.292 0.367 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747116 136222454 /nfs/dbraw/zinc/22/24/54/136222454.db2.gz WZUHQDFNMIOFRB-FOSCPWQOSA-N 2 2 237.347 0.503 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747116 136222455 /nfs/dbraw/zinc/22/24/55/136222455.db2.gz WZUHQDFNMIOFRB-FOSCPWQOSA-N 2 2 237.347 0.503 20 30 BCEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000602545121 349588589 /nfs/dbraw/zinc/58/85/89/349588589.db2.gz MVBJOXYWXDWJKK-QWHCGFSZSA-N 2 2 238.379 0.762 20 30 BCEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000602545121 349588594 /nfs/dbraw/zinc/58/85/94/349588594.db2.gz MVBJOXYWXDWJKK-QWHCGFSZSA-N 2 2 238.379 0.762 20 30 BCEDLP CC#CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162558966 349748056 /nfs/dbraw/zinc/74/80/56/349748056.db2.gz QIKPYMVBACWNHT-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP CC#CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162558966 349748058 /nfs/dbraw/zinc/74/80/58/349748058.db2.gz QIKPYMVBACWNHT-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCC#N)C1 ZINC000602878114 349790051 /nfs/dbraw/zinc/79/00/51/349790051.db2.gz VPPBESRSQGTZKD-LBPRGKRZSA-N 2 2 225.336 0.679 20 30 BCEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCC#N)C1 ZINC000602878114 349790053 /nfs/dbraw/zinc/79/00/53/349790053.db2.gz VPPBESRSQGTZKD-LBPRGKRZSA-N 2 2 225.336 0.679 20 30 BCEDLP CC#CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000339755004 136280830 /nfs/dbraw/zinc/28/08/30/136280830.db2.gz CGZNWZYUOBXCRT-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP CC#CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000339755004 136280831 /nfs/dbraw/zinc/28/08/31/136280831.db2.gz CGZNWZYUOBXCRT-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP CC#CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000339755004 136280832 /nfs/dbraw/zinc/28/08/32/136280832.db2.gz CGZNWZYUOBXCRT-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP CC#CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000339755004 136280833 /nfs/dbraw/zinc/28/08/33/136280833.db2.gz CGZNWZYUOBXCRT-GFCCVEGCSA-N 2 2 210.321 0.397 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000350665708 136362659 /nfs/dbraw/zinc/36/26/59/136362659.db2.gz YQDRUBBDHXOIPA-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP N#CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600734614 344365051 /nfs/dbraw/zinc/36/50/51/344365051.db2.gz IAELGBCUYIIGLT-NSHDSACASA-N 2 2 223.320 0.336 20 30 BCEDLP N#CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600734613 344365077 /nfs/dbraw/zinc/36/50/77/344365077.db2.gz IAELGBCUYIIGLT-LLVKDONJSA-N 2 2 223.320 0.336 20 30 BCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721260 344363064 /nfs/dbraw/zinc/36/30/64/344363064.db2.gz KPKPKZGJUHISJS-NEPJUHHUSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721260 344363066 /nfs/dbraw/zinc/36/30/66/344363066.db2.gz KPKPKZGJUHISJS-NEPJUHHUSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729325 344364023 /nfs/dbraw/zinc/36/40/23/344364023.db2.gz XTLWKZKVGLIJKM-NWDGAFQWSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729325 344364025 /nfs/dbraw/zinc/36/40/25/344364025.db2.gz XTLWKZKVGLIJKM-NWDGAFQWSA-N 2 2 237.347 0.725 20 30 BCEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)CCO ZINC000121367701 344922773 /nfs/dbraw/zinc/92/27/73/344922773.db2.gz WLMHYNFPUDTDKA-UHFFFAOYSA-N 2 2 226.280 0.253 20 30 BCEDLP CC#CC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000641766686 362699613 /nfs/dbraw/zinc/69/96/13/362699613.db2.gz AHBBYVFMBADZRE-NSHDSACASA-N 2 2 221.304 0.592 20 30 BCEDLP C[N@H+](C[C@H](O)C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000310504335 347290675 /nfs/dbraw/zinc/29/06/75/347290675.db2.gz NNJUGHYFAZYSTC-ZDUSSCGKSA-N 2 2 237.347 0.677 20 30 BCEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000310504335 347290677 /nfs/dbraw/zinc/29/06/77/347290677.db2.gz NNJUGHYFAZYSTC-ZDUSSCGKSA-N 2 2 237.347 0.677 20 30 BCEDLP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000591663589 347684161 /nfs/dbraw/zinc/68/41/61/347684161.db2.gz CHDNXNHSFIDGAV-XQQFMLRXSA-N 2 2 249.358 0.867 20 30 BCEDLP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000591663589 347684163 /nfs/dbraw/zinc/68/41/63/347684163.db2.gz CHDNXNHSFIDGAV-XQQFMLRXSA-N 2 2 249.358 0.867 20 30 BCEDLP C[N@@H+]1CCN(C(=O)CCCCC#N)[C@@H](C[NH3+])C1 ZINC000594427574 348043934 /nfs/dbraw/zinc/04/39/34/348043934.db2.gz VCDSITUTQDMLPI-NSHDSACASA-N 2 2 238.335 0.172 20 30 BCEDLP C[N@H+]1CCN(C(=O)CCCCC#N)[C@@H](C[NH3+])C1 ZINC000594427574 348043936 /nfs/dbraw/zinc/04/39/36/348043936.db2.gz VCDSITUTQDMLPI-NSHDSACASA-N 2 2 238.335 0.172 20 30 BCEDLP Cc1cc(N[C@@H](CO)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000596244483 348485887 /nfs/dbraw/zinc/48/58/87/348485887.db2.gz QHIQJYLEIRRZLK-LLVKDONJSA-N 2 2 234.303 0.018 20 30 BCEDLP C[C@H](C#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989555 348851276 /nfs/dbraw/zinc/85/12/76/348851276.db2.gz GFELRSRMWMSFBK-LLVKDONJSA-N 2 2 240.351 0.146 20 30 BCEDLP C[C@H](C#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989555 348851278 /nfs/dbraw/zinc/85/12/78/348851278.db2.gz GFELRSRMWMSFBK-LLVKDONJSA-N 2 2 240.351 0.146 20 30 BCEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599084392 349097479 /nfs/dbraw/zinc/09/74/79/349097479.db2.gz BZWOVGWMJZIRRO-YNEHKIRRSA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599084392 349097482 /nfs/dbraw/zinc/09/74/82/349097482.db2.gz BZWOVGWMJZIRRO-YNEHKIRRSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+](CCC#N)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000601960164 349401677 /nfs/dbraw/zinc/40/16/77/349401677.db2.gz PYGSIMNDLSCZSA-GFCCVEGCSA-N 2 2 248.330 0.967 20 30 BCEDLP C[N@@H+](CCC#N)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000601960164 349401678 /nfs/dbraw/zinc/40/16/78/349401678.db2.gz PYGSIMNDLSCZSA-GFCCVEGCSA-N 2 2 248.330 0.967 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336758401 353166577 /nfs/dbraw/zinc/16/65/77/353166577.db2.gz JTVGCCQOHBQTHD-UTUOFQBUSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336758401 353166579 /nfs/dbraw/zinc/16/65/79/353166579.db2.gz JTVGCCQOHBQTHD-UTUOFQBUSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1=O ZINC000281399180 353446123 /nfs/dbraw/zinc/44/61/23/353446123.db2.gz QIBRHXCWHGPPRC-GFCCVEGCSA-N 2 2 248.330 0.602 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1=O ZINC000281399180 353446124 /nfs/dbraw/zinc/44/61/24/353446124.db2.gz QIBRHXCWHGPPRC-GFCCVEGCSA-N 2 2 248.330 0.602 20 30 BCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@@H]1C ZINC000262788024 535261498 /nfs/dbraw/zinc/26/14/98/535261498.db2.gz JYVVDMPYZKMNFD-WDEREUQCSA-N 2 2 235.335 0.847 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420365171 192224229 /nfs/dbraw/zinc/22/42/29/192224229.db2.gz KWOAFWRYGBCFGF-CKYFFXLPSA-N 2 2 225.336 0.265 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423012888 192539016 /nfs/dbraw/zinc/53/90/16/192539016.db2.gz DZBPRXPPHFRIML-AGIUHOORSA-N 2 2 242.363 0.528 20 30 BCEDLP CCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000264093615 535424632 /nfs/dbraw/zinc/42/46/32/535424632.db2.gz LWDPDKFFPAMKQW-UHFFFAOYSA-N 2 2 244.302 0.692 20 30 BCEDLP C#CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129602067 358589740 /nfs/dbraw/zinc/58/97/40/358589740.db2.gz DRVKLMXRYVRZCX-LBPRGKRZSA-N 2 2 208.305 0.274 20 30 BCEDLP C#CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129602067 358589741 /nfs/dbraw/zinc/58/97/41/358589741.db2.gz DRVKLMXRYVRZCX-LBPRGKRZSA-N 2 2 208.305 0.274 20 30 BCEDLP C=CC[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629551835 361443865 /nfs/dbraw/zinc/44/38/65/361443865.db2.gz XIDVJPXNCDCKJY-NWDGAFQWSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CC[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629551835 361443871 /nfs/dbraw/zinc/44/38/71/361443871.db2.gz XIDVJPXNCDCKJY-NWDGAFQWSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H](C)C2C[NH2+]C2)nn1 ZINC000573316909 364797018 /nfs/dbraw/zinc/79/70/18/364797018.db2.gz NFRRBUBDLNSJID-SECBINFHSA-N 2 2 221.308 0.162 20 30 BCEDLP CCO[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769232 369562528 /nfs/dbraw/zinc/56/25/28/369562528.db2.gz KDQAUBMHCZASGU-ZWNOBZJWSA-N 2 2 249.314 0.947 20 30 BCEDLP CCO[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769232 369562529 /nfs/dbraw/zinc/56/25/29/369562529.db2.gz KDQAUBMHCZASGU-ZWNOBZJWSA-N 2 2 249.314 0.947 20 30 BCEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000600768333 369563794 /nfs/dbraw/zinc/56/37/94/369563794.db2.gz HXSAENAHTFVEPA-VIFPVBQESA-N 2 2 205.261 0.932 20 30 BCEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000600768333 369563798 /nfs/dbraw/zinc/56/37/98/369563798.db2.gz HXSAENAHTFVEPA-VIFPVBQESA-N 2 2 205.261 0.932 20 30 BCEDLP C[NH+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602502568 369797804 /nfs/dbraw/zinc/79/78/04/369797804.db2.gz HCKXDXSPAOBUNE-UHFFFAOYSA-N 2 2 218.304 0.995 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564465334 384870897 /nfs/dbraw/zinc/87/08/97/384870897.db2.gz LDNUUHTZBGSLTM-ZYHUDNBSSA-N 2 2 225.336 0.723 20 30 BCEDLP C=C1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000569351718 385016916 /nfs/dbraw/zinc/01/69/16/385016916.db2.gz MCHKRPGYSDNLIU-CYBMUJFWSA-N 2 2 242.363 0.578 20 30 BCEDLP C=C1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000569351718 385016922 /nfs/dbraw/zinc/01/69/22/385016922.db2.gz MCHKRPGYSDNLIU-CYBMUJFWSA-N 2 2 242.363 0.578 20 30 BCEDLP C#C[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000491298635 385323279 /nfs/dbraw/zinc/32/32/79/385323279.db2.gz WLLNIKKRPFBLSP-NSHDSACASA-N 2 2 205.261 0.217 20 30 BCEDLP C#C[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000491298635 385323286 /nfs/dbraw/zinc/32/32/86/385323286.db2.gz WLLNIKKRPFBLSP-NSHDSACASA-N 2 2 205.261 0.217 20 30 BCEDLP CN(C)C(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000170909735 385454916 /nfs/dbraw/zinc/45/49/16/385454916.db2.gz AGMWHEJRCRNDPJ-UHFFFAOYSA-N 2 2 231.303 0.753 20 30 BCEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470153 385884539 /nfs/dbraw/zinc/88/45/39/385884539.db2.gz NPQKSVCRUIPLDP-GHMZBOCLSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC000123470153 385884544 /nfs/dbraw/zinc/88/45/44/385884544.db2.gz NPQKSVCRUIPLDP-GHMZBOCLSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470153 385884545 /nfs/dbraw/zinc/88/45/45/385884545.db2.gz NPQKSVCRUIPLDP-GHMZBOCLSA-N 2 2 238.335 0.041 20 30 BCEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC000123470153 385884549 /nfs/dbraw/zinc/88/45/49/385884549.db2.gz NPQKSVCRUIPLDP-GHMZBOCLSA-N 2 2 238.335 0.041 20 30 BCEDLP CNC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264118346 386208475 /nfs/dbraw/zinc/20/84/75/386208475.db2.gz QHMSTFIPMLRHSS-UHFFFAOYSA-N 2 2 231.303 0.879 20 30 BCEDLP C=C(C)COCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000163591328 386548801 /nfs/dbraw/zinc/54/88/01/386548801.db2.gz LYLZDPZWENFBMK-STQMWFEESA-N 2 2 242.363 0.936 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@](C)(C[NH3+])C2CC2)C1=O ZINC000519827866 386565049 /nfs/dbraw/zinc/56/50/49/386565049.db2.gz VFVOWUCYDPJAOH-DGCLKSJQSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424277407 387950245 /nfs/dbraw/zinc/95/02/45/387950245.db2.gz AIEYGRWCGJUZFB-HBNTYKKESA-N 2 2 225.336 0.537 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000490741268 388252073 /nfs/dbraw/zinc/25/20/73/388252073.db2.gz QCJGONMVQLPPEX-UHFFFAOYSA-N 2 2 249.358 0.250 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000490852138 388256708 /nfs/dbraw/zinc/25/67/08/388256708.db2.gz LRKPYIQLOPKOCE-ZDUSSCGKSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000490852138 388256710 /nfs/dbraw/zinc/25/67/10/388256710.db2.gz LRKPYIQLOPKOCE-ZDUSSCGKSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000491385916 388290911 /nfs/dbraw/zinc/29/09/11/388290911.db2.gz STQASXBLCVOBDT-CYBMUJFWSA-N 2 2 240.347 0.023 20 30 BCEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000491385916 388290912 /nfs/dbraw/zinc/29/09/12/388290912.db2.gz STQASXBLCVOBDT-CYBMUJFWSA-N 2 2 240.347 0.023 20 30 BCEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000491385916 388290914 /nfs/dbraw/zinc/29/09/14/388290914.db2.gz STQASXBLCVOBDT-CYBMUJFWSA-N 2 2 240.347 0.023 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000491567172 388304286 /nfs/dbraw/zinc/30/42/86/388304286.db2.gz JUIBMCYIJMTGIV-GFCCVEGCSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491567172 388304287 /nfs/dbraw/zinc/30/42/87/388304287.db2.gz JUIBMCYIJMTGIV-GFCCVEGCSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000491567172 388304288 /nfs/dbraw/zinc/30/42/88/388304288.db2.gz JUIBMCYIJMTGIV-GFCCVEGCSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000491567172 388304289 /nfs/dbraw/zinc/30/42/89/388304289.db2.gz JUIBMCYIJMTGIV-GFCCVEGCSA-N 2 2 224.348 0.785 20 30 BCEDLP C#C[C@H](C)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)C#C)COC1 ZINC000491704759 388313092 /nfs/dbraw/zinc/31/30/92/388313092.db2.gz BSZGQCWQZQURKX-KBPBESRZSA-N 2 2 248.370 0.910 20 30 BCEDLP C#C[C@H](C)[NH+](C)CC1(C[N@H+](C)[C@@H](C)C#C)COC1 ZINC000491704759 388313093 /nfs/dbraw/zinc/31/30/93/388313093.db2.gz BSZGQCWQZQURKX-KBPBESRZSA-N 2 2 248.370 0.910 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000491127308 388271980 /nfs/dbraw/zinc/27/19/80/388271980.db2.gz WEIHPIILEJCMFQ-RYUDHWBXSA-N 2 2 249.358 0.341 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000491127308 388271981 /nfs/dbraw/zinc/27/19/81/388271981.db2.gz WEIHPIILEJCMFQ-RYUDHWBXSA-N 2 2 249.358 0.341 20 30 BCEDLP C=CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000573016502 388406455 /nfs/dbraw/zinc/40/64/55/388406455.db2.gz TWAFCADGFSAZFS-NSHDSACASA-N 2 2 216.325 0.043 20 30 BCEDLP C=CC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000573016502 388406457 /nfs/dbraw/zinc/40/64/57/388406457.db2.gz TWAFCADGFSAZFS-NSHDSACASA-N 2 2 216.325 0.043 20 30 BCEDLP C=CC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000573016502 388406459 /nfs/dbraw/zinc/40/64/59/388406459.db2.gz TWAFCADGFSAZFS-NSHDSACASA-N 2 2 216.325 0.043 20 30 BCEDLP N#CCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000555674286 388858336 /nfs/dbraw/zinc/85/83/36/388858336.db2.gz WBXUDGJCRVDMCR-UHFFFAOYSA-N 2 2 219.292 0.835 20 30 BCEDLP C=CCN1CC[C@H]([NH+]2CCC([NH2+]C)CC2)C1=O ZINC000565892753 388976929 /nfs/dbraw/zinc/97/69/29/388976929.db2.gz ROIVYFDJNKCUSR-LBPRGKRZSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000336422370 134146888 /nfs/dbraw/zinc/14/68/88/134146888.db2.gz AXUKXVRIKLYWJN-LLVKDONJSA-N 2 2 223.320 0.069 20 30 BCEDLP C=CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000336422370 134146889 /nfs/dbraw/zinc/14/68/89/134146889.db2.gz AXUKXVRIKLYWJN-LLVKDONJSA-N 2 2 223.320 0.069 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337285059 135010866 /nfs/dbraw/zinc/01/08/66/135010866.db2.gz ZPSNQXRBKWKNKA-UHFFFAOYSA-N 2 2 239.363 0.706 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337285059 135010867 /nfs/dbraw/zinc/01/08/67/135010867.db2.gz ZPSNQXRBKWKNKA-UHFFFAOYSA-N 2 2 239.363 0.706 20 30 BCEDLP CC[C@H](C)NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000261951497 135113177 /nfs/dbraw/zinc/11/31/77/135113177.db2.gz HMNXDLORCFBBSJ-VIFPVBQESA-N 2 2 209.297 0.586 20 30 BCEDLP CNC(=[NH2+])N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262015725 135114865 /nfs/dbraw/zinc/11/48/65/135114865.db2.gz XQCKTJZDBCGNEZ-UWVGGRQHSA-N 2 2 221.308 0.711 20 30 BCEDLP CN/C(=[NH+]/C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262000372 135114868 /nfs/dbraw/zinc/11/48/68/135114868.db2.gz UFTUZDMYJRULLV-MNOVXSKESA-N 2 2 235.335 0.971 20 30 BCEDLP CN(C)C(=[NH+]Cc1c[nH+]cn1C)N(C)C ZINC000262291245 135117652 /nfs/dbraw/zinc/11/76/52/135117652.db2.gz BSKPVBKZFSGAPW-UHFFFAOYSA-N 2 2 209.297 0.399 20 30 BCEDLP C[C@H]1C[NH+]=C(NCc2cn3c([nH+]2)CCCC3)N1 ZINC000262644622 135120732 /nfs/dbraw/zinc/12/07/32/135120732.db2.gz ISVJHADJETWRRO-VIFPVBQESA-N 2 2 233.319 0.657 20 30 BCEDLP CCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000264082397 135131775 /nfs/dbraw/zinc/13/17/75/135131775.db2.gz HXMPHFSASGNWHW-UHFFFAOYSA-N 2 2 221.308 0.808 20 30 BCEDLP CNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264144613 135135788 /nfs/dbraw/zinc/13/57/88/135135788.db2.gz XJXMLLJPBONFDU-UHFFFAOYSA-N 2 2 217.276 0.640 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000261582368 135223144 /nfs/dbraw/zinc/22/31/44/135223144.db2.gz OGPWHVQMRKGQDZ-VIFPVBQESA-N 2 2 211.309 0.148 20 30 BCEDLP C=CC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653089726 409623142 /nfs/dbraw/zinc/62/31/42/409623142.db2.gz RWWSDBGKPOJVDJ-LBPRGKRZSA-N 2 2 239.363 0.690 20 30 BCEDLP C=CCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000118000402 166234404 /nfs/dbraw/zinc/23/44/04/166234404.db2.gz NSMGXOLYHVBRNH-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590499 411425536 /nfs/dbraw/zinc/42/55/36/411425536.db2.gz FKBGQSMKTYFEMF-LBPRGKRZSA-N 2 2 233.315 0.859 20 30 BCEDLP COCC#CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590499 411425537 /nfs/dbraw/zinc/42/55/37/411425537.db2.gz FKBGQSMKTYFEMF-LBPRGKRZSA-N 2 2 233.315 0.859 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)COC ZINC000661239764 411740686 /nfs/dbraw/zinc/74/06/86/411740686.db2.gz JBPVWOLAELJWJV-CHWSQXEVSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)COC ZINC000661239764 411740689 /nfs/dbraw/zinc/74/06/89/411740689.db2.gz JBPVWOLAELJWJV-CHWSQXEVSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)COC ZINC000661239764 411740694 /nfs/dbraw/zinc/74/06/94/411740694.db2.gz JBPVWOLAELJWJV-CHWSQXEVSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)COC ZINC000661239764 411740696 /nfs/dbraw/zinc/74/06/96/411740696.db2.gz JBPVWOLAELJWJV-CHWSQXEVSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+]1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000631110253 411847958 /nfs/dbraw/zinc/84/79/58/411847958.db2.gz WWBVBHRTSNBJGG-UHFFFAOYSA-N 2 2 248.334 0.825 20 30 BCEDLP C=CC[NH+]1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000631110253 411847963 /nfs/dbraw/zinc/84/79/63/411847963.db2.gz WWBVBHRTSNBJGG-UHFFFAOYSA-N 2 2 248.334 0.825 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662292861 412081141 /nfs/dbraw/zinc/08/11/41/412081141.db2.gz BDTHHJFOAVXMCJ-JTQLQIEISA-N 2 2 225.336 0.442 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662292861 412081146 /nfs/dbraw/zinc/08/11/46/412081146.db2.gz BDTHHJFOAVXMCJ-JTQLQIEISA-N 2 2 225.336 0.442 20 30 BCEDLP C=CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662298935 412086060 /nfs/dbraw/zinc/08/60/60/412086060.db2.gz HQBOKFSYDWFSKK-VXGBXAGGSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662298935 412086063 /nfs/dbraw/zinc/08/60/63/412086063.db2.gz HQBOKFSYDWFSKK-VXGBXAGGSA-N 2 2 228.336 0.498 20 30 BCEDLP C=CCOCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665263791 412207507 /nfs/dbraw/zinc/20/75/07/412207507.db2.gz UVIFZIATKOCKOH-CHWSQXEVSA-N 2 2 242.363 0.936 20 30 BCEDLP C=CC[C@@]1(C(=O)NCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662664578 412263771 /nfs/dbraw/zinc/26/37/71/412263771.db2.gz SMHKEZLQHKKECS-ZDUSSCGKSA-N 2 2 248.330 0.698 20 30 BCEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000358150571 173138117 /nfs/dbraw/zinc/13/81/17/173138117.db2.gz AVDMQNURIBMXKE-GFCCVEGCSA-N 2 2 235.287 0.307 20 30 BCEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000358150571 173138119 /nfs/dbraw/zinc/13/81/19/173138119.db2.gz AVDMQNURIBMXKE-GFCCVEGCSA-N 2 2 235.287 0.307 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430430 644420920 /nfs/dbraw/zinc/42/09/20/644420920.db2.gz LEQQHSGHHUFDLA-MNOVXSKESA-N 2 2 212.337 0.983 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430430 644420927 /nfs/dbraw/zinc/42/09/27/644420927.db2.gz LEQQHSGHHUFDLA-MNOVXSKESA-N 2 2 212.337 0.983 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246366474 323008671 /nfs/dbraw/zinc/00/86/71/323008671.db2.gz LJVJBSWKBWTVMR-NEPJUHHUSA-N 2 2 237.347 0.008 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246366474 323008672 /nfs/dbraw/zinc/00/86/72/323008672.db2.gz LJVJBSWKBWTVMR-NEPJUHHUSA-N 2 2 237.347 0.008 20 30 BCEDLP C#CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134154338 325345656 /nfs/dbraw/zinc/34/56/56/325345656.db2.gz XEUJUGBOGFATDU-UHFFFAOYSA-N 2 2 245.330 0.298 20 30 BCEDLP C=CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000565629472 325935793 /nfs/dbraw/zinc/93/57/93/325935793.db2.gz ILUFOGIEOPXVKW-UHFFFAOYSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CCNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000262328347 534844572 /nfs/dbraw/zinc/84/45/72/534844572.db2.gz UTCDXCLQSKKTBP-UHFFFAOYSA-N 2 2 228.365 0.126 20 30 BCEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303973993 536442680 /nfs/dbraw/zinc/44/26/80/536442680.db2.gz HJHDFWYFVOZJHJ-LLVKDONJSA-N 2 2 240.351 0.118 20 30 BCEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303973993 536442681 /nfs/dbraw/zinc/44/26/81/536442681.db2.gz HJHDFWYFVOZJHJ-LLVKDONJSA-N 2 2 240.351 0.118 20 30 BCEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])NC1CC1 ZINC000171413290 535360403 /nfs/dbraw/zinc/36/04/03/535360403.db2.gz BULFLKXQLQABNI-UHFFFAOYSA-N 2 2 240.351 0.164 20 30 BCEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])NC1CC1 ZINC000171413290 535360405 /nfs/dbraw/zinc/36/04/05/535360405.db2.gz BULFLKXQLQABNI-UHFFFAOYSA-N 2 2 240.351 0.164 20 30 BCEDLP CCN(CC)C(=[NH2+])NCCn1cc[nH+]c1 ZINC000264083205 535389610 /nfs/dbraw/zinc/38/96/10/535389610.db2.gz IYHUMUYMEQFWAF-UHFFFAOYSA-N 2 2 209.297 0.540 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134202 588823054 /nfs/dbraw/zinc/82/30/54/588823054.db2.gz IKHWMIDIAFLLTN-LBPRGKRZSA-N 2 2 246.314 0.466 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134202 588823055 /nfs/dbraw/zinc/82/30/55/588823055.db2.gz IKHWMIDIAFLLTN-LBPRGKRZSA-N 2 2 246.314 0.466 20 30 BCEDLP C#CCOCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140900 583472768 /nfs/dbraw/zinc/47/27/68/583472768.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140900 583472771 /nfs/dbraw/zinc/47/27/71/583472771.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140900 583472773 /nfs/dbraw/zinc/47/27/73/583472773.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140900 583472774 /nfs/dbraw/zinc/47/27/74/583472774.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140896 583472989 /nfs/dbraw/zinc/47/29/89/583472989.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140896 583472992 /nfs/dbraw/zinc/47/29/92/583472992.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140896 583472994 /nfs/dbraw/zinc/47/29/94/583472994.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140896 583472997 /nfs/dbraw/zinc/47/29/97/583472997.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159423 583609090 /nfs/dbraw/zinc/60/90/90/583609090.db2.gz VMCBYLAIGUBPEY-VWYCJHECSA-N 2 2 241.335 0.439 20 30 BCEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@H+]1C ZINC000895159423 583609091 /nfs/dbraw/zinc/60/90/91/583609091.db2.gz VMCBYLAIGUBPEY-VWYCJHECSA-N 2 2 241.335 0.439 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920617 584029762 /nfs/dbraw/zinc/02/97/62/584029762.db2.gz NRCGOXIRLPIQPW-LBPRGKRZSA-N 2 2 246.314 0.269 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920617 584029764 /nfs/dbraw/zinc/02/97/64/584029764.db2.gz NRCGOXIRLPIQPW-LBPRGKRZSA-N 2 2 246.314 0.269 20 30 BCEDLP C[C@H]([NH2+]Cc1nc(C#N)cs1)C1C[NH2+]C1 ZINC000902445492 584598760 /nfs/dbraw/zinc/59/87/60/584598760.db2.gz MFCRPEZULQVHIA-ZETCQYMHSA-N 2 2 222.317 0.712 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467399 584774488 /nfs/dbraw/zinc/77/44/88/584774488.db2.gz AYYJCNQQGUQIQM-WDEREUQCSA-N 2 2 237.347 0.551 20 30 BCEDLP C=CC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903905672 584821158 /nfs/dbraw/zinc/82/11/58/584821158.db2.gz LJLNEIFQLZDABP-NSHDSACASA-N 2 2 235.335 0.820 20 30 BCEDLP C=CC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903905672 584821160 /nfs/dbraw/zinc/82/11/60/584821160.db2.gz LJLNEIFQLZDABP-NSHDSACASA-N 2 2 235.335 0.820 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000730279223 584898775 /nfs/dbraw/zinc/89/87/75/584898775.db2.gz LZEHQHNDMKBIMS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000730279223 584898776 /nfs/dbraw/zinc/89/87/76/584898776.db2.gz LZEHQHNDMKBIMS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000730279223 584898777 /nfs/dbraw/zinc/89/87/77/584898777.db2.gz LZEHQHNDMKBIMS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000730279223 584898778 /nfs/dbraw/zinc/89/87/78/584898778.db2.gz LZEHQHNDMKBIMS-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C[C@H](CO)N(C)[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000842541522 584901971 /nfs/dbraw/zinc/90/19/71/584901971.db2.gz IPCFFLUMNRLKAC-SNVBAGLBSA-N 2 2 236.319 0.794 20 30 BCEDLP Cc1[nH]c[nH+]c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000755813698 584985417 /nfs/dbraw/zinc/98/54/17/584985417.db2.gz GFGLPKYDGRKDQZ-UWVGGRQHSA-N 2 2 246.318 0.912 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739926907 585086354 /nfs/dbraw/zinc/08/63/54/585086354.db2.gz NAFWAHRZYSYWOV-ZDUSSCGKSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739926907 585086355 /nfs/dbraw/zinc/08/63/55/585086355.db2.gz NAFWAHRZYSYWOV-ZDUSSCGKSA-N 2 2 249.358 0.154 20 30 BCEDLP CCO[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755627315 585302561 /nfs/dbraw/zinc/30/25/61/585302561.db2.gz INTPQKNOWJLKEU-UHFFFAOYSA-N 2 2 249.318 0.599 20 30 BCEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+]1C ZINC000761792732 585418551 /nfs/dbraw/zinc/41/85/51/585418551.db2.gz FWLUWNWJWBECMF-SNVBAGLBSA-N 2 2 210.325 0.314 20 30 BCEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+]1C ZINC000761792732 585418552 /nfs/dbraw/zinc/41/85/52/585418552.db2.gz FWLUWNWJWBECMF-SNVBAGLBSA-N 2 2 210.325 0.314 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763015870 585441338 /nfs/dbraw/zinc/44/13/38/585441338.db2.gz JYOMVXIRTRLXSC-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCCCn1cc[nH+]c1 ZINC000763898531 585456530 /nfs/dbraw/zinc/45/65/30/585456530.db2.gz BPAHQIZLBQBBID-UHFFFAOYSA-N 2 2 236.319 0.507 20 30 BCEDLP NC(=[NH2+])NN=Cc1cccc2[nH+]ccn21 ZINC000771098635 585590411 /nfs/dbraw/zinc/59/04/11/585590411.db2.gz SFAQBMKELSGCFT-UHFFFAOYSA-N 2 2 202.221 0.151 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787677384 585913916 /nfs/dbraw/zinc/91/39/16/585913916.db2.gz WDIWEYMLDJLMAX-ZDUSSCGKSA-N 2 2 222.332 0.806 20 30 BCEDLP N#CC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000809577153 586507837 /nfs/dbraw/zinc/50/78/37/586507837.db2.gz LAARVGUCTQMKRW-LLVKDONJSA-N 2 2 234.303 0.864 20 30 BCEDLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000809577703 586507935 /nfs/dbraw/zinc/50/79/35/586507935.db2.gz ZWLWADLVCGDOGY-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809577703 586507932 /nfs/dbraw/zinc/50/79/32/586507932.db2.gz ZWLWADLVCGDOGY-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809577703 586507933 /nfs/dbraw/zinc/50/79/33/586507933.db2.gz ZWLWADLVCGDOGY-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000809577703 586507936 /nfs/dbraw/zinc/50/79/36/586507936.db2.gz ZWLWADLVCGDOGY-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809576999 586508231 /nfs/dbraw/zinc/50/82/31/586508231.db2.gz IUSQNZWEJILJPD-NWDGAFQWSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC#N)C1 ZINC000809576999 586508232 /nfs/dbraw/zinc/50/82/32/586508232.db2.gz IUSQNZWEJILJPD-NWDGAFQWSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000809576999 586508233 /nfs/dbraw/zinc/50/82/33/586508233.db2.gz IUSQNZWEJILJPD-NWDGAFQWSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000809576999 586508234 /nfs/dbraw/zinc/50/82/34/586508234.db2.gz IUSQNZWEJILJPD-NWDGAFQWSA-N 2 2 225.336 0.535 20 30 BCEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1C)C1CCOCC1 ZINC000827571222 587389531 /nfs/dbraw/zinc/38/95/31/587389531.db2.gz XBLVLHUOEKUZHS-CYBMUJFWSA-N 2 2 233.315 0.938 20 30 BCEDLP CN1CCc2cc(C=[NH+]NC3=[NH+]CCN3)ccc21 ZINC000841659692 587969578 /nfs/dbraw/zinc/96/95/78/587969578.db2.gz BSBVXGQPMZFIEA-UHFFFAOYSA-N 2 2 243.314 0.562 20 30 BCEDLP C[C@H]1C[N@@H+](C2CC2)CC1N=NC1=[NH+]CCN1 ZINC000841661511 587969983 /nfs/dbraw/zinc/96/99/83/587969983.db2.gz PWFAUKFPCWLHEG-QMMMGPOBSA-N 2 2 221.308 0.005 20 30 BCEDLP C[C@H]1C[N@H+](C2CC2)CC1N=NC1=[NH+]CCN1 ZINC000841661511 587969984 /nfs/dbraw/zinc/96/99/84/587969984.db2.gz PWFAUKFPCWLHEG-QMMMGPOBSA-N 2 2 221.308 0.005 20 30 BCEDLP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)n1cc[nH+]c1 ZINC000846677491 588282340 /nfs/dbraw/zinc/28/23/40/588282340.db2.gz NEEXNCGNTHROET-OUAUKWLOSA-N 2 2 247.302 0.062 20 30 BCEDLP C[NH+]=C(NCCCCn1cc[nH+]c1)NC1CC1 ZINC000848995575 588428563 /nfs/dbraw/zinc/42/85/63/588428563.db2.gz SFBKBZRJDMRPMY-UHFFFAOYSA-N 2 2 235.335 0.991 20 30 BCEDLP C[C@@H]1C[N@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000848999467 588430232 /nfs/dbraw/zinc/43/02/32/588430232.db2.gz JEOSSEUUVBCKOO-LLVKDONJSA-N 2 2 242.367 0.186 20 30 BCEDLP C[C@@H]1C[N@@H+](CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000848999467 588430234 /nfs/dbraw/zinc/43/02/34/588430234.db2.gz JEOSSEUUVBCKOO-LLVKDONJSA-N 2 2 242.367 0.186 20 30 BCEDLP C[NH+]=C(NCCc1cn(C)c[nH+]1)NC1CC1 ZINC000849040323 588447635 /nfs/dbraw/zinc/44/76/35/588447635.db2.gz SYOCIJGKYRAZQM-UHFFFAOYSA-N 2 2 221.308 0.290 20 30 BCEDLP Cc1c[nH+]ccc1N[NH2+]C1=CC(=O)N2CCC[C@@H]12 ZINC000863158222 589263844 /nfs/dbraw/zinc/26/38/44/589263844.db2.gz RMYXSDCRSTYDFB-LBPRGKRZSA-N 2 2 244.298 0.975 20 30 BCEDLP C#CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000119654724 589322054 /nfs/dbraw/zinc/32/20/54/589322054.db2.gz NHQLMZXKQHWEPQ-UHFFFAOYSA-N 2 2 218.304 0.551 20 30 BCEDLP C[C@@H]1C(=NNC2=[NH+][C@@H](C)CN2)CC[N@@H+]1C ZINC000872364622 589920824 /nfs/dbraw/zinc/92/08/24/589920824.db2.gz PGUSDZZBLNFJCO-JGVFFNPUSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@@H]1C(=NNC2=[NH+][C@@H](C)CN2)CC[N@H+]1C ZINC000872364622 589920827 /nfs/dbraw/zinc/92/08/27/589920827.db2.gz PGUSDZZBLNFJCO-JGVFFNPUSA-N 2 2 209.297 0.004 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000874263650 590101132 /nfs/dbraw/zinc/10/11/32/590101132.db2.gz LKDRIEGXCOKIIZ-GFCCVEGCSA-N 2 2 237.347 0.104 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000876706800 590232467 /nfs/dbraw/zinc/23/24/67/590232467.db2.gz HDBOIFUISJCYND-SNVBAGLBSA-N 2 2 245.754 0.620 20 30 BCEDLP C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105120 590495230 /nfs/dbraw/zinc/49/52/30/590495230.db2.gz WNZGCIGILYKRCS-RYUDHWBXSA-N 2 2 240.347 0.988 20 30 BCEDLP C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105120 590495233 /nfs/dbraw/zinc/49/52/33/590495233.db2.gz WNZGCIGILYKRCS-RYUDHWBXSA-N 2 2 240.347 0.988 20 30 BCEDLP C=CC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356819 590750969 /nfs/dbraw/zinc/75/09/69/590750969.db2.gz QLXDOCMXECRITE-GFCCVEGCSA-N 2 2 239.363 0.657 20 30 BCEDLP C=CC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356819 590750972 /nfs/dbraw/zinc/75/09/72/590750972.db2.gz QLXDOCMXECRITE-GFCCVEGCSA-N 2 2 239.363 0.657 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140886 590940759 /nfs/dbraw/zinc/94/07/59/590940759.db2.gz FCBQKSAAGRRBER-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140886 590940761 /nfs/dbraw/zinc/94/07/61/590940761.db2.gz FCBQKSAAGRRBER-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140886 590940764 /nfs/dbraw/zinc/94/07/64/590940764.db2.gz FCBQKSAAGRRBER-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140886 590940766 /nfs/dbraw/zinc/94/07/66/590940766.db2.gz FCBQKSAAGRRBER-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nnn1CC ZINC000883131344 591546828 /nfs/dbraw/zinc/54/68/28/591546828.db2.gz XBDTWAYUFSZDHU-UHFFFAOYSA-N 2 2 249.362 0.651 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nnn1CC ZINC000883131344 591546830 /nfs/dbraw/zinc/54/68/30/591546830.db2.gz XBDTWAYUFSZDHU-UHFFFAOYSA-N 2 2 249.362 0.651 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000883131199 591547172 /nfs/dbraw/zinc/54/71/72/591547172.db2.gz NPTNCAHTZGWDDX-UHFFFAOYSA-N 2 2 246.358 0.874 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000883131199 591547175 /nfs/dbraw/zinc/54/71/75/591547175.db2.gz NPTNCAHTZGWDDX-UHFFFAOYSA-N 2 2 246.358 0.874 20 30 BCEDLP N#CCCN1CC[NH+]([C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925726670 634522318 /nfs/dbraw/zinc/52/23/18/634522318.db2.gz JVKMMRXRRXZCOJ-CHWSQXEVSA-N 2 2 248.374 0.788 20 30 BCEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429802 632029820 /nfs/dbraw/zinc/02/98/20/632029820.db2.gz QKELSJRSDDCKLO-LBPRGKRZSA-N 2 2 248.330 0.671 20 30 BCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429802 632029826 /nfs/dbraw/zinc/02/98/26/632029826.db2.gz QKELSJRSDDCKLO-LBPRGKRZSA-N 2 2 248.330 0.671 20 30 BCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429809 632030978 /nfs/dbraw/zinc/03/09/78/632030978.db2.gz QMTUJWSDJKBRRR-GFCCVEGCSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429809 632030982 /nfs/dbraw/zinc/03/09/82/632030982.db2.gz QMTUJWSDJKBRRR-GFCCVEGCSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613933 632535398 /nfs/dbraw/zinc/53/53/98/632535398.db2.gz GBSFOALFSWVAIU-NSHDSACASA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613933 632535404 /nfs/dbraw/zinc/53/54/04/632535404.db2.gz GBSFOALFSWVAIU-NSHDSACASA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@H+](C)CCCNc1nc(C)[nH+]c(N)n1 ZINC000327981063 633200042 /nfs/dbraw/zinc/20/00/42/633200042.db2.gz IUXBXRSIGXPFFO-UHFFFAOYSA-N 2 2 234.307 0.129 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1nc(C)[nH+]c(N)n1 ZINC000327981063 633200049 /nfs/dbraw/zinc/20/00/49/633200049.db2.gz IUXBXRSIGXPFFO-UHFFFAOYSA-N 2 2 234.307 0.129 20 30 BCEDLP C#CC[N@H+](C)CCCNc1nc(N)nc(C)[nH+]1 ZINC000327981063 633200051 /nfs/dbraw/zinc/20/00/51/633200051.db2.gz IUXBXRSIGXPFFO-UHFFFAOYSA-N 2 2 234.307 0.129 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1nc(N)nc(C)[nH+]1 ZINC000327981063 633200056 /nfs/dbraw/zinc/20/00/56/633200056.db2.gz IUXBXRSIGXPFFO-UHFFFAOYSA-N 2 2 234.307 0.129 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cncn1CC ZINC000328156578 633739495 /nfs/dbraw/zinc/73/94/95/633739495.db2.gz GVZNKILDOZOFBH-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cncn1CC ZINC000328156578 633739498 /nfs/dbraw/zinc/73/94/98/633739498.db2.gz GVZNKILDOZOFBH-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833037 635283126 /nfs/dbraw/zinc/28/31/26/635283126.db2.gz AZASTOLATIRXGC-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980833037 635283131 /nfs/dbraw/zinc/28/31/31/635283131.db2.gz AZASTOLATIRXGC-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833037 635283137 /nfs/dbraw/zinc/28/31/37/635283137.db2.gz AZASTOLATIRXGC-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833037 635283140 /nfs/dbraw/zinc/28/31/40/635283140.db2.gz AZASTOLATIRXGC-CYBMUJFWSA-N 2 2 249.358 0.248 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987606297 636654538 /nfs/dbraw/zinc/65/45/38/636654538.db2.gz WFSMVAJEHOZNIC-RYUDHWBXSA-N 2 2 248.330 0.648 20 30 BCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989486506 636858108 /nfs/dbraw/zinc/85/81/08/636858108.db2.gz DRGNKSGMLROWBF-CMPLNLGQSA-N 2 2 246.314 0.164 20 30 BCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989608065 636867620 /nfs/dbraw/zinc/86/76/20/636867620.db2.gz GYQBHOXMFHCSDR-MNOVXSKESA-N 2 2 246.314 0.164 20 30 BCEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853064 636885449 /nfs/dbraw/zinc/88/54/49/636885449.db2.gz FBPFPPZFWOTOIE-RYUDHWBXSA-N 2 2 246.314 0.095 20 30 BCEDLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930557633 639811036 /nfs/dbraw/zinc/81/10/36/639811036.db2.gz HNEXCXHGBCVXTH-VXGBXAGGSA-N 2 2 223.320 0.289 20 30 BCEDLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CC#N)C2)C1 ZINC000930557633 639811037 /nfs/dbraw/zinc/81/10/37/639811037.db2.gz HNEXCXHGBCVXTH-VXGBXAGGSA-N 2 2 223.320 0.289 20 30 BCEDLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)CC#N)C2)C1 ZINC000930557633 639811038 /nfs/dbraw/zinc/81/10/38/639811038.db2.gz HNEXCXHGBCVXTH-VXGBXAGGSA-N 2 2 223.320 0.289 20 30 BCEDLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)CC#N)C2)C1 ZINC000930557633 639811039 /nfs/dbraw/zinc/81/10/39/639811039.db2.gz HNEXCXHGBCVXTH-VXGBXAGGSA-N 2 2 223.320 0.289 20 30 BCEDLP C#CCOCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931718807 640335765 /nfs/dbraw/zinc/33/57/65/640335765.db2.gz XFIREIASFCSJRL-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931718807 640335768 /nfs/dbraw/zinc/33/57/68/640335768.db2.gz XFIREIASFCSJRL-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931718807 640335772 /nfs/dbraw/zinc/33/57/72/640335772.db2.gz XFIREIASFCSJRL-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931718807 640335775 /nfs/dbraw/zinc/33/57/75/640335775.db2.gz XFIREIASFCSJRL-QWHCGFSZSA-N 2 2 222.332 0.805 20 30 BCEDLP C#C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934511276 641178586 /nfs/dbraw/zinc/17/85/86/641178586.db2.gz LWPCBECMDIWDSM-ZIAGYGMSSA-N 2 2 236.359 0.931 20 30 BCEDLP C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934511276 641178590 /nfs/dbraw/zinc/17/85/90/641178590.db2.gz LWPCBECMDIWDSM-ZIAGYGMSSA-N 2 2 236.359 0.931 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030961204 641527856 /nfs/dbraw/zinc/52/78/56/641527856.db2.gz RUQKZIIDFXJSMV-WCQYABFASA-N 2 2 249.358 0.008 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030961204 641527860 /nfs/dbraw/zinc/52/78/60/641527860.db2.gz RUQKZIIDFXJSMV-WCQYABFASA-N 2 2 249.358 0.008 20 30 BCEDLP C=CCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950732763 641940409 /nfs/dbraw/zinc/94/04/09/641940409.db2.gz XSDHLKXKYAWIHP-UHFFFAOYSA-N 2 2 248.330 0.673 20 30 BCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031384896 642048819 /nfs/dbraw/zinc/04/88/19/642048819.db2.gz NVYPFQCJMDOKDU-NSHDSACASA-N 2 2 237.347 0.315 20 30 BCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031384896 642048823 /nfs/dbraw/zinc/04/88/23/642048823.db2.gz NVYPFQCJMDOKDU-NSHDSACASA-N 2 2 237.347 0.315 20 30 BCEDLP C=C(C)CC[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476485 642196320 /nfs/dbraw/zinc/19/63/20/642196320.db2.gz QWCDINUFFSPYGH-UHFFFAOYSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968872339 642819999 /nfs/dbraw/zinc/81/99/99/642819999.db2.gz UOCJTGNBKJLFFL-GFCCVEGCSA-N 2 2 248.330 0.719 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000968872339 642820001 /nfs/dbraw/zinc/82/00/01/642820001.db2.gz UOCJTGNBKJLFFL-GFCCVEGCSA-N 2 2 248.330 0.719 20 30 BCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015285732 642899001 /nfs/dbraw/zinc/89/90/01/642899001.db2.gz JEIAJYJCOYBLAC-LBPRGKRZSA-N 2 2 246.314 0.015 20 30 BCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015285732 642899002 /nfs/dbraw/zinc/89/90/02/642899002.db2.gz JEIAJYJCOYBLAC-LBPRGKRZSA-N 2 2 246.314 0.015 20 30 BCEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105038 642946541 /nfs/dbraw/zinc/94/65/41/642946541.db2.gz BGXSORHOIHQZKJ-NSHDSACASA-N 2 2 248.330 0.637 20 30 BCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105038 642946546 /nfs/dbraw/zinc/94/65/46/642946546.db2.gz BGXSORHOIHQZKJ-NSHDSACASA-N 2 2 248.330 0.637 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969519876 643185297 /nfs/dbraw/zinc/18/52/97/643185297.db2.gz YHOBZBVMRUKXDU-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126852 643405111 /nfs/dbraw/zinc/40/51/11/643405111.db2.gz ZFUXNJBTMKMMGQ-HAQNSBGRSA-N 2 2 248.330 0.696 20 30 BCEDLP C=CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999912784 643743912 /nfs/dbraw/zinc/74/39/12/643743912.db2.gz WUDVGUAOXAUDIJ-UHFFFAOYSA-N 2 2 248.330 0.648 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430432 644422870 /nfs/dbraw/zinc/42/28/70/644422870.db2.gz LEQQHSGHHUFDLA-WDEREUQCSA-N 2 2 212.337 0.983 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430432 644422871 /nfs/dbraw/zinc/42/28/71/644422871.db2.gz LEQQHSGHHUFDLA-WDEREUQCSA-N 2 2 212.337 0.983 20 30 BCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000923552016 644495327 /nfs/dbraw/zinc/49/53/27/644495327.db2.gz RYYCHUKDWVHBSJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000923552016 644495332 /nfs/dbraw/zinc/49/53/32/644495332.db2.gz RYYCHUKDWVHBSJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000923552016 644495336 /nfs/dbraw/zinc/49/53/36/644495336.db2.gz RYYCHUKDWVHBSJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000923552016 644495338 /nfs/dbraw/zinc/49/53/38/644495338.db2.gz RYYCHUKDWVHBSJ-STQMWFEESA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000923559035 644501685 /nfs/dbraw/zinc/50/16/85/644501685.db2.gz CXTQXQUOZDPOQN-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000923559035 644501689 /nfs/dbraw/zinc/50/16/89/644501689.db2.gz CXTQXQUOZDPOQN-LBPRGKRZSA-N 2 2 246.314 0.097 20 30 BCEDLP C[C@H]1CNC(NN=C2C[C@H](C)[N@H+](C)C2)=[NH+]1 ZINC000779797798 644715136 /nfs/dbraw/zinc/71/51/36/644715136.db2.gz JZTPMZOVCZSJFB-YUMQZZPRSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@H]1CNC(NN=C2C[C@H](C)[N@@H+](C)C2)=[NH+]1 ZINC000779797798 644715142 /nfs/dbraw/zinc/71/51/42/644715142.db2.gz JZTPMZOVCZSJFB-YUMQZZPRSA-N 2 2 209.297 0.004 20 30 BCEDLP CCN(CC)C(=[NH2+])NCC[N@H+](C)CCOC ZINC000303983028 644863601 /nfs/dbraw/zinc/86/36/01/644863601.db2.gz QTMMUONNHBSFTD-UHFFFAOYSA-N 2 2 230.356 0.221 20 30 BCEDLP CCN(CC)C(=[NH2+])NCC[N@@H+](C)CCOC ZINC000303983028 644863606 /nfs/dbraw/zinc/86/36/06/644863606.db2.gz QTMMUONNHBSFTD-UHFFFAOYSA-N 2 2 230.356 0.221 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928429536 645746121 /nfs/dbraw/zinc/74/61/21/645746121.db2.gz QYGYLBASIMFSPI-AVGNSLFASA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928429536 645746125 /nfs/dbraw/zinc/74/61/25/645746125.db2.gz QYGYLBASIMFSPI-AVGNSLFASA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928429536 645746132 /nfs/dbraw/zinc/74/61/32/645746132.db2.gz QYGYLBASIMFSPI-AVGNSLFASA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928429536 645746137 /nfs/dbraw/zinc/74/61/37/645746137.db2.gz QYGYLBASIMFSPI-AVGNSLFASA-N 2 2 249.358 0.293 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925772856 646473413 /nfs/dbraw/zinc/47/34/13/646473413.db2.gz VKEQOYSWFJPVDR-YNEHKIRRSA-N 2 2 242.363 0.670 20 30 BCEDLP C#CCC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044294948 710823387 /nfs/dbraw/zinc/82/33/87/710823387.db2.gz JZGGHIMWLKHWED-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP CN1CCC[NH+]=C1NCCCCn1cc[nH+]c1 ZINC000386551957 711033168 /nfs/dbraw/zinc/03/31/68/711033168.db2.gz HBQWIWKXZZWMNI-UHFFFAOYSA-N 2 2 235.335 0.944 20 30 BCEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027792829 711735587 /nfs/dbraw/zinc/73/55/87/711735587.db2.gz XCDATRGGSRPGBM-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792829 711735590 /nfs/dbraw/zinc/73/55/90/711735590.db2.gz XCDATRGGSRPGBM-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792829 711735592 /nfs/dbraw/zinc/73/55/92/711735592.db2.gz XCDATRGGSRPGBM-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038119345 711801446 /nfs/dbraw/zinc/80/14/46/711801446.db2.gz VVDGMGNQHBTILJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038119345 711801447 /nfs/dbraw/zinc/80/14/47/711801447.db2.gz VVDGMGNQHBTILJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038119345 711801449 /nfs/dbraw/zinc/80/14/49/711801449.db2.gz VVDGMGNQHBTILJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038119345 711801450 /nfs/dbraw/zinc/80/14/50/711801450.db2.gz VVDGMGNQHBTILJ-CHWSQXEVSA-N 2 2 249.358 0.294 20 30 BCEDLP Cc1nc(NCC#CC[NH+](C)C)cc[nH+]1 ZINC000717690936 712665119 /nfs/dbraw/zinc/66/51/19/712665119.db2.gz RJOGCQSIFSOCNC-UHFFFAOYSA-N 2 2 204.277 0.762 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424289751 398179277 /nfs/dbraw/zinc/17/92/77/398179277.db2.gz MMFVDAAQFVZWTJ-IJLUTSLNSA-N 2 2 237.347 0.633 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1ccoc1 ZINC000176304699 346908682 /nfs/dbraw/zinc/90/86/82/346908682.db2.gz RFTLKCQVPLAUDE-UHFFFAOYSA-N 2 2 247.302 0.841 20 30 BCEDLP N#CC1(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000600719465 344362469 /nfs/dbraw/zinc/36/24/69/344362469.db2.gz STPIKHCBQYTNEU-LLVKDONJSA-N 2 2 234.303 0.527 20 30 BCEDLP N#CCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609417803 344722597 /nfs/dbraw/zinc/72/25/97/344722597.db2.gz ZSUXZQBLFXAWNO-NSHDSACASA-N 2 2 247.302 0.160 20 30 BCEDLP N#CCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609417803 344722598 /nfs/dbraw/zinc/72/25/98/344722598.db2.gz ZSUXZQBLFXAWNO-NSHDSACASA-N 2 2 247.302 0.160 20 30 BCEDLP Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)c(C#N)c[nH+]1 ZINC000425244116 192085699 /nfs/dbraw/zinc/08/56/99/192085699.db2.gz RFDBNAPYPCVCJJ-ZDUSSCGKSA-N 2 2 246.314 0.162 20 30 BCEDLP Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)c(C#N)c[nH+]1 ZINC000425244116 192085701 /nfs/dbraw/zinc/08/57/01/192085701.db2.gz RFDBNAPYPCVCJJ-ZDUSSCGKSA-N 2 2 246.314 0.162 20 30 BCEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000310504334 347290575 /nfs/dbraw/zinc/29/05/75/347290575.db2.gz NNJUGHYFAZYSTC-CYBMUJFWSA-N 2 2 237.347 0.677 20 30 BCEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000310504334 347290577 /nfs/dbraw/zinc/29/05/77/347290577.db2.gz NNJUGHYFAZYSTC-CYBMUJFWSA-N 2 2 237.347 0.677 20 30 BCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722289 349028217 /nfs/dbraw/zinc/02/82/17/349028217.db2.gz ZYBPIHSQOXLLFT-NWDGAFQWSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722289 349028218 /nfs/dbraw/zinc/02/82/18/349028218.db2.gz ZYBPIHSQOXLLFT-NWDGAFQWSA-N 2 2 239.363 0.971 20 30 BCEDLP N#Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000599020147 349077064 /nfs/dbraw/zinc/07/70/64/349077064.db2.gz YPHRJPLONAYMHD-AWEZNQCLSA-N 2 2 245.326 0.714 20 30 BCEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599093281 349092076 /nfs/dbraw/zinc/09/20/76/349092076.db2.gz OIPFYQZLTIEGGD-WOPDTQHZSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599093281 349092079 /nfs/dbraw/zinc/09/20/79/349092079.db2.gz OIPFYQZLTIEGGD-WOPDTQHZSA-N 2 2 223.320 0.335 20 30 BCEDLP C=CC[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000320934838 323326773 /nfs/dbraw/zinc/32/67/73/323326773.db2.gz FFIYLAGYRBKNSY-JTQLQIEISA-N 2 2 238.335 0.513 20 30 BCEDLP C[N@@H+](CCC#N)CCCN1CC[NH+](C)CC1 ZINC000336684848 350446203 /nfs/dbraw/zinc/44/62/03/350446203.db2.gz VDOOZRNRVXEVKG-UHFFFAOYSA-N 2 2 224.352 0.469 20 30 BCEDLP C[N@H+](CCC#N)CCCN1CC[NH+](C)CC1 ZINC000336684848 350446206 /nfs/dbraw/zinc/44/62/06/350446206.db2.gz VDOOZRNRVXEVKG-UHFFFAOYSA-N 2 2 224.352 0.469 20 30 BCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397714809 350965410 /nfs/dbraw/zinc/96/54/10/350965410.db2.gz QHAKMNGCHIGZBF-OLZOCXBDSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397714809 350965413 /nfs/dbraw/zinc/96/54/13/350965413.db2.gz QHAKMNGCHIGZBF-OLZOCXBDSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397714809 350965417 /nfs/dbraw/zinc/96/54/17/350965417.db2.gz QHAKMNGCHIGZBF-OLZOCXBDSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397714809 350965421 /nfs/dbraw/zinc/96/54/21/350965421.db2.gz QHAKMNGCHIGZBF-OLZOCXBDSA-N 2 2 239.363 0.925 20 30 BCEDLP C=CCCC[N@@H+](C)Cc1noc(C[NH3+])n1 ZINC000336743927 352675591 /nfs/dbraw/zinc/67/55/91/352675591.db2.gz PQXBEQGQTCLARY-UHFFFAOYSA-N 2 2 210.281 0.926 20 30 BCEDLP C=CCCC[N@H+](C)Cc1noc(C[NH3+])n1 ZINC000336743927 352675594 /nfs/dbraw/zinc/67/55/94/352675594.db2.gz PQXBEQGQTCLARY-UHFFFAOYSA-N 2 2 210.281 0.926 20 30 BCEDLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000336776191 353461109 /nfs/dbraw/zinc/46/11/09/353461109.db2.gz DZWXROHVRSEHSX-GFCCVEGCSA-N 2 2 225.336 0.991 20 30 BCEDLP COCC[N@H+]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000336776191 353461111 /nfs/dbraw/zinc/46/11/11/353461111.db2.gz DZWXROHVRSEHSX-GFCCVEGCSA-N 2 2 225.336 0.991 20 30 BCEDLP C#CCNC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000293757322 353756680 /nfs/dbraw/zinc/75/66/80/353756680.db2.gz JQPQDBJHGSSKSG-UHFFFAOYSA-N 2 2 248.330 0.345 20 30 BCEDLP C#CCNC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000293757322 353756682 /nfs/dbraw/zinc/75/66/82/353756682.db2.gz JQPQDBJHGSSKSG-UHFFFAOYSA-N 2 2 248.330 0.345 20 30 BCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000384063568 356178704 /nfs/dbraw/zinc/17/87/04/356178704.db2.gz YMQHCAYBJXUNHG-LBPRGKRZSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000384063568 356178708 /nfs/dbraw/zinc/17/87/08/356178708.db2.gz YMQHCAYBJXUNHG-LBPRGKRZSA-N 2 2 239.363 0.925 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H](C[NH3+])C2CC2)C1=O ZINC000420317861 192212892 /nfs/dbraw/zinc/21/28/92/192212892.db2.gz OYNNLCBKCXCJSQ-VXGBXAGGSA-N 2 2 237.347 0.442 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H](C[NH3+])C2CC2)C1=O ZINC000420317861 192212894 /nfs/dbraw/zinc/21/28/94/192212894.db2.gz OYNNLCBKCXCJSQ-VXGBXAGGSA-N 2 2 237.347 0.442 20 30 BCEDLP COCC#CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761727 356679903 /nfs/dbraw/zinc/67/99/03/356679903.db2.gz DLEVACVSWKRKPF-ZDUSSCGKSA-N 2 2 240.347 0.025 20 30 BCEDLP COCC#CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761727 356679905 /nfs/dbraw/zinc/67/99/05/356679905.db2.gz DLEVACVSWKRKPF-ZDUSSCGKSA-N 2 2 240.347 0.025 20 30 BCEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000424075983 491108872 /nfs/dbraw/zinc/10/88/72/491108872.db2.gz KRWNHIYHGWCUND-VIFPVBQESA-N 2 2 233.275 0.623 20 30 BCEDLP C=C(C)C[N@H+](CC)C[C@H](O)C[NH+](C)CCOC ZINC000582674941 357361601 /nfs/dbraw/zinc/36/16/01/357361601.db2.gz ZWFCVFIPXGBEAW-CYBMUJFWSA-N 2 2 244.379 0.824 20 30 BCEDLP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH+](C)CCOC ZINC000582674941 357361605 /nfs/dbraw/zinc/36/16/05/357361605.db2.gz ZWFCVFIPXGBEAW-CYBMUJFWSA-N 2 2 244.379 0.824 20 30 BCEDLP C=C(C)C[NH+](CC)C[C@H](O)C[N@H+](C)CCOC ZINC000582674941 357361608 /nfs/dbraw/zinc/36/16/08/357361608.db2.gz ZWFCVFIPXGBEAW-CYBMUJFWSA-N 2 2 244.379 0.824 20 30 BCEDLP C=C(C)C[NH+](CC)C[C@H](O)C[N@@H+](C)CCOC ZINC000582674941 357361611 /nfs/dbraw/zinc/36/16/11/357361611.db2.gz ZWFCVFIPXGBEAW-CYBMUJFWSA-N 2 2 244.379 0.824 20 30 BCEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677419 358065954 /nfs/dbraw/zinc/06/59/54/358065954.db2.gz FHTAWKSCBXFBMR-AAEUAGOBSA-N 2 2 236.363 0.514 20 30 BCEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677419 358065956 /nfs/dbraw/zinc/06/59/56/358065956.db2.gz FHTAWKSCBXFBMR-AAEUAGOBSA-N 2 2 236.363 0.514 20 30 BCEDLP CCNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264087270 535423007 /nfs/dbraw/zinc/42/30/07/535423007.db2.gz KDPABWKSTTWWND-UHFFFAOYSA-N 2 2 231.303 0.801 20 30 BCEDLP CC#CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129343735 358585301 /nfs/dbraw/zinc/58/53/01/358585301.db2.gz JLJVQEJBVZRUHH-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP CC#CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129343735 358585302 /nfs/dbraw/zinc/58/53/02/358585302.db2.gz JLJVQEJBVZRUHH-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP CC#CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131296671 358667994 /nfs/dbraw/zinc/66/79/94/358667994.db2.gz IVZGHRBRFWIULV-CYBMUJFWSA-N 2 2 249.358 0.424 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859555 359034549 /nfs/dbraw/zinc/03/45/49/359034549.db2.gz NFSWTXUHKUIUMN-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859555 359034554 /nfs/dbraw/zinc/03/45/54/359034554.db2.gz NFSWTXUHKUIUMN-CYBMUJFWSA-N 2 2 222.332 0.664 20 30 BCEDLP C=CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578865304 366659864 /nfs/dbraw/zinc/65/98/64/366659864.db2.gz MAYXRNRXELVMFO-NSHDSACASA-N 2 2 225.336 0.444 20 30 BCEDLP C=CCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578865304 366659874 /nfs/dbraw/zinc/65/98/74/366659874.db2.gz MAYXRNRXELVMFO-NSHDSACASA-N 2 2 225.336 0.444 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)o1 ZINC000600769554 369563964 /nfs/dbraw/zinc/56/39/64/369563964.db2.gz ORNJLHRMUUSUAY-GFCCVEGCSA-N 2 2 235.287 0.619 20 30 BCEDLP N#Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)o1 ZINC000600772523 369564626 /nfs/dbraw/zinc/56/46/26/369564626.db2.gz DISOOTIYEUZVBP-UHFFFAOYSA-N 2 2 235.287 0.749 20 30 BCEDLP Cc1cc(NC[C@H]2CSCC[NH2+]2)c(C#N)c[nH+]1 ZINC000603419030 369959128 /nfs/dbraw/zinc/95/91/28/369959128.db2.gz LMRYOCNOUPVJDO-NSHDSACASA-N 2 2 248.355 0.801 20 30 BCEDLP CN(CC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363460339 384060245 /nfs/dbraw/zinc/06/02/45/384060245.db2.gz BBFBVUFRDYPMPA-CYBMUJFWSA-N 2 2 236.363 0.610 20 30 BCEDLP CN(CC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363460339 384060253 /nfs/dbraw/zinc/06/02/53/384060253.db2.gz BBFBVUFRDYPMPA-CYBMUJFWSA-N 2 2 236.363 0.610 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000490631289 384282504 /nfs/dbraw/zinc/28/25/04/384282504.db2.gz UNWTVHSNBLRODR-NSHDSACASA-N 2 2 210.321 0.397 20 30 BCEDLP C#CC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000490631289 384282505 /nfs/dbraw/zinc/28/25/05/384282505.db2.gz UNWTVHSNBLRODR-NSHDSACASA-N 2 2 210.321 0.397 20 30 BCEDLP C[C@@H]1C[N@H+](CCC[NH2+]CCC#N)CCCO1 ZINC000517926296 384575461 /nfs/dbraw/zinc/57/54/61/384575461.db2.gz NQSOFHLOWYEWJB-GFCCVEGCSA-N 2 2 225.336 0.991 20 30 BCEDLP C[C@@H]1C[N@@H+](CCC[NH2+]CCC#N)CCCO1 ZINC000517926296 384575467 /nfs/dbraw/zinc/57/54/67/384575467.db2.gz NQSOFHLOWYEWJB-GFCCVEGCSA-N 2 2 225.336 0.991 20 30 BCEDLP CN(C)C(=[NH+]CCCn1cc[nH+]c1)N(C)C ZINC000104152606 384804959 /nfs/dbraw/zinc/80/49/59/384804959.db2.gz HMXKUXCABYEWMC-UHFFFAOYSA-N 2 2 223.324 0.752 20 30 BCEDLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000309045167 385389611 /nfs/dbraw/zinc/38/96/11/385389611.db2.gz NZWUBBQBWQKZDF-LLVKDONJSA-N 2 2 211.309 0.600 20 30 BCEDLP COCC[N@H+]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000309045167 385389614 /nfs/dbraw/zinc/38/96/14/385389614.db2.gz NZWUBBQBWQKZDF-LLVKDONJSA-N 2 2 211.309 0.600 20 30 BCEDLP CN(C)C(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000170910079 385454698 /nfs/dbraw/zinc/45/46/98/385454698.db2.gz AFFHRTKVKRMMCZ-UHFFFAOYSA-N 2 2 234.347 0.995 20 30 BCEDLP CN(C)C(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000170910079 385454703 /nfs/dbraw/zinc/45/47/03/385454703.db2.gz AFFHRTKVKRMMCZ-UHFFFAOYSA-N 2 2 234.347 0.995 20 30 BCEDLP C#CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366627451 533151346 /nfs/dbraw/zinc/15/13/46/533151346.db2.gz KIVNSJVHNHULMH-LBPRGKRZSA-N 2 2 235.331 0.034 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366627451 533151348 /nfs/dbraw/zinc/15/13/48/533151348.db2.gz KIVNSJVHNHULMH-LBPRGKRZSA-N 2 2 235.331 0.034 20 30 BCEDLP Cc1cc(NC[C@](C)(O)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000399015626 386550456 /nfs/dbraw/zinc/55/04/56/386550456.db2.gz BWZRXXYYBCWKDF-ZDUSSCGKSA-N 2 2 248.330 0.408 20 30 BCEDLP CN(C)C(=O)NCC[N@H+](C)CCn1cc[nH+]c1 ZINC000330686146 386830091 /nfs/dbraw/zinc/83/00/91/386830091.db2.gz ANHYIIRSPHXKSN-UHFFFAOYSA-N 2 2 239.323 0.291 20 30 BCEDLP CN(C)C(=O)NCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000330686146 386830095 /nfs/dbraw/zinc/83/00/95/386830095.db2.gz ANHYIIRSPHXKSN-UHFFFAOYSA-N 2 2 239.323 0.291 20 30 BCEDLP Cc1cc(NCCOCC[NH+](C)C)c(C#N)c[nH+]1 ZINC000399521037 386955450 /nfs/dbraw/zinc/95/54/50/386955450.db2.gz QOLCKCBDWZQEFM-UHFFFAOYSA-N 2 2 248.330 0.674 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+]Cc1cccc(C#N)c1 ZINC000184538449 387065362 /nfs/dbraw/zinc/06/53/62/387065362.db2.gz QNKXMUPTHFIOMU-UHFFFAOYSA-N 2 2 247.342 0.962 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc(C#N)c1 ZINC000184538449 387065368 /nfs/dbraw/zinc/06/53/68/387065368.db2.gz QNKXMUPTHFIOMU-UHFFFAOYSA-N 2 2 247.342 0.962 20 30 BCEDLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423344580 387193328 /nfs/dbraw/zinc/19/33/28/387193328.db2.gz WZLXQCGYODWTJN-NWDGAFQWSA-N 2 2 225.336 0.894 20 30 BCEDLP Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)cc[nH+]1 ZINC000424142687 387736602 /nfs/dbraw/zinc/73/66/02/387736602.db2.gz VPFRXSIVONJWTR-LLVKDONJSA-N 2 2 232.287 0.772 20 30 BCEDLP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cc[nH+]1 ZINC000424142688 387737249 /nfs/dbraw/zinc/73/72/49/387737249.db2.gz VPFRXSIVONJWTR-NSHDSACASA-N 2 2 232.287 0.772 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000490615504 388243086 /nfs/dbraw/zinc/24/30/86/388243086.db2.gz FLZPPAFNCFGNJR-UHFFFAOYSA-N 2 2 237.347 0.106 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491758183 388318477 /nfs/dbraw/zinc/31/84/77/388318477.db2.gz HMHLYQMROBCQRP-ZYHUDNBSSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491758183 388318478 /nfs/dbraw/zinc/31/84/78/388318478.db2.gz HMHLYQMROBCQRP-ZYHUDNBSSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491758183 388318479 /nfs/dbraw/zinc/31/84/79/388318479.db2.gz HMHLYQMROBCQRP-ZYHUDNBSSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491758183 388318480 /nfs/dbraw/zinc/31/84/80/388318480.db2.gz HMHLYQMROBCQRP-ZYHUDNBSSA-N 2 2 210.321 0.395 20 30 BCEDLP C#CC[N@H+](CC#CC)CCc1c[nH+]cn1C ZINC000491779639 388320555 /nfs/dbraw/zinc/32/05/55/388320555.db2.gz CXBALLZPBUQZSF-UHFFFAOYSA-N 2 2 215.300 0.921 20 30 BCEDLP C#CC[N@@H+](CC#CC)CCc1c[nH+]cn1C ZINC000491779639 388320556 /nfs/dbraw/zinc/32/05/56/388320556.db2.gz CXBALLZPBUQZSF-UHFFFAOYSA-N 2 2 215.300 0.921 20 30 BCEDLP Cc1cc(NCC[NH+]2CCC2)c(C#N)c[nH+]1 ZINC000515834068 388651906 /nfs/dbraw/zinc/65/19/06/388651906.db2.gz NDQSJOTZCQFBJM-UHFFFAOYSA-N 2 2 216.288 0.801 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)nn1 ZINC000566103823 388987294 /nfs/dbraw/zinc/98/72/94/388987294.db2.gz NCTPOOMRRODBHP-WCQYABFASA-N 2 2 249.362 0.942 20 30 BCEDLP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303385322 134233443 /nfs/dbraw/zinc/23/34/43/134233443.db2.gz VJGLBQOXKLVFOJ-UWVGGRQHSA-N 2 2 228.340 0.020 20 30 BCEDLP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303385322 134233444 /nfs/dbraw/zinc/23/34/44/134233444.db2.gz VJGLBQOXKLVFOJ-UWVGGRQHSA-N 2 2 228.340 0.020 20 30 BCEDLP C=CCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207258 134236390 /nfs/dbraw/zinc/23/63/90/134236390.db2.gz IHSDXWABBVDTIW-UHFFFAOYSA-N 2 2 248.330 0.891 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC1CCCC1 ZINC000263233960 135126084 /nfs/dbraw/zinc/12/60/84/135126084.db2.gz IWMLUXNKPDEXDR-UHFFFAOYSA-N 2 2 235.335 0.991 20 30 BCEDLP NC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264088895 135132561 /nfs/dbraw/zinc/13/25/61/135132561.db2.gz KIQVVOCLRMXJOW-UHFFFAOYSA-N 2 2 217.276 0.769 20 30 BCEDLP CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264125511 135134413 /nfs/dbraw/zinc/13/44/13/135134413.db2.gz SBHOKDCGXOHBRQ-NSHDSACASA-N 2 2 238.310 0.963 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261559713 135200061 /nfs/dbraw/zinc/20/00/61/135200061.db2.gz TZIUQACDXBXONG-WCQYABFASA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261559713 135200063 /nfs/dbraw/zinc/20/00/63/135200063.db2.gz TZIUQACDXBXONG-WCQYABFASA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561963 135203576 /nfs/dbraw/zinc/20/35/76/135203576.db2.gz VUUHTMIWXFYHHS-SDDRHHMPSA-N 2 2 237.347 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561963 135203577 /nfs/dbraw/zinc/20/35/77/135203577.db2.gz VUUHTMIWXFYHHS-SDDRHHMPSA-N 2 2 237.347 0.218 20 30 BCEDLP [NH2+]=C(NCC[NH+]1CCC1)N1CCSCC1 ZINC000262758616 135317012 /nfs/dbraw/zinc/31/70/12/135317012.db2.gz CNVSHWBBOCSUNW-UHFFFAOYSA-N 2 2 228.365 0.056 20 30 BCEDLP CN1CC[NH+]=C1NCCCn1cc[nH+]c1 ZINC000284956842 135371584 /nfs/dbraw/zinc/37/15/84/135371584.db2.gz FDNYRJLOJSEGER-UHFFFAOYSA-N 2 2 207.281 0.164 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCn2ccnc21 ZINC000294136468 135377765 /nfs/dbraw/zinc/37/77/65/135377765.db2.gz OXSXBRJEKGRNEM-LBPRGKRZSA-N 2 2 232.331 0.873 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCn2ccnc21 ZINC000294136468 135377767 /nfs/dbraw/zinc/37/77/67/135377767.db2.gz OXSXBRJEKGRNEM-LBPRGKRZSA-N 2 2 232.331 0.873 20 30 BCEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000335384164 136088155 /nfs/dbraw/zinc/08/81/55/136088155.db2.gz CVAPVWLHRMHYEF-LLVKDONJSA-N 2 2 223.320 0.196 20 30 BCEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000491763373 398065364 /nfs/dbraw/zinc/06/53/64/398065364.db2.gz ACPNFIAMZGFJGA-CYBMUJFWSA-N 2 2 222.332 0.539 20 30 BCEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000491763373 398065366 /nfs/dbraw/zinc/06/53/66/398065366.db2.gz ACPNFIAMZGFJGA-CYBMUJFWSA-N 2 2 222.332 0.539 20 30 BCEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000491763373 398065369 /nfs/dbraw/zinc/06/53/69/398065369.db2.gz ACPNFIAMZGFJGA-CYBMUJFWSA-N 2 2 222.332 0.539 20 30 BCEDLP C=CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000363566064 166357913 /nfs/dbraw/zinc/35/79/13/166357913.db2.gz MCHZWAFVCZEPBP-LBPRGKRZSA-N 2 2 210.321 0.827 20 30 BCEDLP C=CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000363566064 166357918 /nfs/dbraw/zinc/35/79/18/166357918.db2.gz MCHZWAFVCZEPBP-LBPRGKRZSA-N 2 2 210.321 0.827 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363566063 166358235 /nfs/dbraw/zinc/35/82/35/166358235.db2.gz MCHZWAFVCZEPBP-GFCCVEGCSA-N 2 2 210.321 0.827 20 30 BCEDLP C=CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363566063 166358236 /nfs/dbraw/zinc/35/82/36/166358236.db2.gz MCHZWAFVCZEPBP-GFCCVEGCSA-N 2 2 210.321 0.827 20 30 BCEDLP C[N@H+](C[C@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000591764693 411130302 /nfs/dbraw/zinc/13/03/02/411130302.db2.gz LXZFTDRWTPYUHH-LLVKDONJSA-N 2 2 223.320 0.335 20 30 BCEDLP C[N@@H+](C[C@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000591764693 411130306 /nfs/dbraw/zinc/13/03/06/411130306.db2.gz LXZFTDRWTPYUHH-LLVKDONJSA-N 2 2 223.320 0.335 20 30 BCEDLP C=CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665237839 412178916 /nfs/dbraw/zinc/17/89/16/412178916.db2.gz KYADOZJJYWQKCT-RYUDHWBXSA-N 2 2 210.321 0.919 20 30 BCEDLP C=CC[C@@]1(C(=O)NCc2[nH+]ccn2C)CCC[NH2+]1 ZINC000662718395 412281957 /nfs/dbraw/zinc/28/19/57/412281957.db2.gz ZOGDFBPHAGUHRQ-ZDUSSCGKSA-N 2 2 248.330 0.735 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000328104925 262907681 /nfs/dbraw/zinc/90/76/81/262907681.db2.gz MGQPFHXPELILOW-VIFPVBQESA-N 2 2 238.253 0.454 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000328104925 262907682 /nfs/dbraw/zinc/90/76/82/262907682.db2.gz MGQPFHXPELILOW-VIFPVBQESA-N 2 2 238.253 0.454 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571316010 323141168 /nfs/dbraw/zinc/14/11/68/323141168.db2.gz RMFZVZWGHZGVGL-GXSJLCMTSA-N 2 2 211.309 0.191 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571316010 323141169 /nfs/dbraw/zinc/14/11/69/323141169.db2.gz RMFZVZWGHZGVGL-GXSJLCMTSA-N 2 2 211.309 0.191 20 30 BCEDLP N#CCC[C@H](C#N)C[NH2+]CCn1cc[nH+]c1 ZINC000563880932 323182894 /nfs/dbraw/zinc/18/28/94/323182894.db2.gz DFCJTSKZAOXJRD-LLVKDONJSA-N 2 2 217.276 0.916 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480381 323194416 /nfs/dbraw/zinc/19/44/16/323194416.db2.gz LJVJBSWKBWTVMR-VXGBXAGGSA-N 2 2 237.347 0.008 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480381 323194417 /nfs/dbraw/zinc/19/44/17/323194417.db2.gz LJVJBSWKBWTVMR-VXGBXAGGSA-N 2 2 237.347 0.008 20 30 BCEDLP COCC#CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000677817025 487505903 /nfs/dbraw/zinc/50/59/03/487505903.db2.gz FJVVWRXYOYIXBZ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000677817025 487505904 /nfs/dbraw/zinc/50/59/04/487505904.db2.gz FJVVWRXYOYIXBZ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP COCC#CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000677817025 487505905 /nfs/dbraw/zinc/50/59/05/487505905.db2.gz FJVVWRXYOYIXBZ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP COCC#CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000677817025 487505906 /nfs/dbraw/zinc/50/59/06/487505906.db2.gz FJVVWRXYOYIXBZ-ZDUSSCGKSA-N 2 2 224.348 0.910 20 30 BCEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NCC#N ZINC000337270436 536346646 /nfs/dbraw/zinc/34/66/46/536346646.db2.gz MRAKSJXMLCVSSP-UHFFFAOYSA-N 2 2 238.335 0.044 20 30 BCEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NCC#N ZINC000337270436 536346650 /nfs/dbraw/zinc/34/66/50/536346650.db2.gz MRAKSJXMLCVSSP-UHFFFAOYSA-N 2 2 238.335 0.044 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856280138 588866950 /nfs/dbraw/zinc/86/69/50/588866950.db2.gz JWFZKPNCVPKZKV-SNVBAGLBSA-N 2 2 236.319 0.715 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1cc(NC)[nH+]cn1 ZINC000893988540 583270741 /nfs/dbraw/zinc/27/07/41/583270741.db2.gz DLJCOTCJYFEQIG-UHFFFAOYSA-N 2 2 233.319 0.885 20 30 BCEDLP C#CC[N@H+](C)CCCNc1cc(NC)[nH+]cn1 ZINC000893988540 583270744 /nfs/dbraw/zinc/27/07/44/583270744.db2.gz DLJCOTCJYFEQIG-UHFFFAOYSA-N 2 2 233.319 0.885 20 30 BCEDLP C#CC[N@@H+](C)CCCNc1cc(NC)nc[nH+]1 ZINC000893988540 583270747 /nfs/dbraw/zinc/27/07/47/583270747.db2.gz DLJCOTCJYFEQIG-UHFFFAOYSA-N 2 2 233.319 0.885 20 30 BCEDLP C#CC[N@H+](C)CCCNc1cc(NC)nc[nH+]1 ZINC000893988540 583270750 /nfs/dbraw/zinc/27/07/50/583270750.db2.gz DLJCOTCJYFEQIG-UHFFFAOYSA-N 2 2 233.319 0.885 20 30 BCEDLP C#CCOCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140892 583472434 /nfs/dbraw/zinc/47/24/34/583472434.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140892 583472435 /nfs/dbraw/zinc/47/24/35/583472435.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140892 583472437 /nfs/dbraw/zinc/47/24/37/583472437.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140892 583472439 /nfs/dbraw/zinc/47/24/39/583472439.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CC[C@@H](CCOC)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895416361 583667494 /nfs/dbraw/zinc/66/74/94/583667494.db2.gz VFBUQMUZWJHERC-JTQLQIEISA-N 2 2 207.277 0.928 20 30 BCEDLP COCCCO[NH+]=C(C)c1c[nH]c(N)[nH+]1 ZINC000901237291 584405800 /nfs/dbraw/zinc/40/58/00/584405800.db2.gz NYJWUUHSTRMQRP-UHFFFAOYSA-N 2 2 212.253 0.769 20 30 BCEDLP CCOCCO[NH+]=C(C)c1c[nH]c(N)[nH+]1 ZINC000901224630 584411989 /nfs/dbraw/zinc/41/19/89/584411989.db2.gz UHDBCXDTKVGZCT-UHFFFAOYSA-N 2 2 212.253 0.769 20 30 BCEDLP CC(=[NH+]OC[C@H]1CCOC1)c1c[nH]c(N)[nH+]1 ZINC000901228311 584412787 /nfs/dbraw/zinc/41/27/87/584412787.db2.gz WAGRTFKVEWJAIN-QMMMGPOBSA-N 2 2 224.264 0.769 20 30 BCEDLP C[C@@H]([NH2+]Cc1nc(C#N)cs1)C1C[NH2+]C1 ZINC000902445490 584599147 /nfs/dbraw/zinc/59/91/47/584599147.db2.gz MFCRPEZULQVHIA-SSDOTTSWSA-N 2 2 222.317 0.712 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000730281498 584898856 /nfs/dbraw/zinc/89/88/56/584898856.db2.gz YUDOZPUANODKOV-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000730281498 584898857 /nfs/dbraw/zinc/89/88/57/584898857.db2.gz YUDOZPUANODKOV-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C ZINC000730281498 584898858 /nfs/dbraw/zinc/89/88/58/584898858.db2.gz YUDOZPUANODKOV-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C ZINC000730281498 584898859 /nfs/dbraw/zinc/89/88/59/584898859.db2.gz YUDOZPUANODKOV-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732092263 584933727 /nfs/dbraw/zinc/93/37/27/584933727.db2.gz AYLHWFUFWDHZCJ-NSHDSACASA-N 2 2 246.314 0.466 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732092263 584933728 /nfs/dbraw/zinc/93/37/28/584933728.db2.gz AYLHWFUFWDHZCJ-NSHDSACASA-N 2 2 246.314 0.466 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000733955598 584955479 /nfs/dbraw/zinc/95/54/79/584955479.db2.gz KRJBALIIJFXPME-JTQLQIEISA-N 2 2 232.287 0.124 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000733955598 584955480 /nfs/dbraw/zinc/95/54/80/584955480.db2.gz KRJBALIIJFXPME-JTQLQIEISA-N 2 2 232.287 0.124 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748350001 585191389 /nfs/dbraw/zinc/19/13/89/585191389.db2.gz MOLKODOKAGTDIJ-OLZOCXBDSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748350001 585191390 /nfs/dbraw/zinc/19/13/90/585191390.db2.gz MOLKODOKAGTDIJ-OLZOCXBDSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](C)C1 ZINC000748350001 585191391 /nfs/dbraw/zinc/19/13/91/585191391.db2.gz MOLKODOKAGTDIJ-OLZOCXBDSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](C)C1 ZINC000748350001 585191392 /nfs/dbraw/zinc/19/13/92/585191392.db2.gz MOLKODOKAGTDIJ-OLZOCXBDSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751485090 585231351 /nfs/dbraw/zinc/23/13/51/585231351.db2.gz XVOXWOYJJZOUTP-UHFFFAOYSA-N 2 2 246.314 0.339 20 30 BCEDLP C[C@@H]1C[N@H+](C)CC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753927126 585272046 /nfs/dbraw/zinc/27/20/46/585272046.db2.gz AKXLWPUIOJSXFV-VWYCJHECSA-N 2 2 249.362 0.784 20 30 BCEDLP C[C@@H]1C[N@@H+](C)CC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753927126 585272047 /nfs/dbraw/zinc/27/20/47/585272047.db2.gz AKXLWPUIOJSXFV-VWYCJHECSA-N 2 2 249.362 0.784 20 30 BCEDLP C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)C[N@@H+]1C ZINC000753937672 585272426 /nfs/dbraw/zinc/27/24/26/585272426.db2.gz YSQVYDXXRHYBOW-JLLWLGSASA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)C[N@H+]1C ZINC000753937672 585272427 /nfs/dbraw/zinc/27/24/27/585272427.db2.gz YSQVYDXXRHYBOW-JLLWLGSASA-N 2 2 249.362 0.926 20 30 BCEDLP CC(C)[N@H+]1CC(=NN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000754255655 585281146 /nfs/dbraw/zinc/28/11/46/585281146.db2.gz RERCLZNYZMANBV-LBPRGKRZSA-N 2 2 238.379 0.950 20 30 BCEDLP CC(C)[N@@H+]1CC(=NN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000754255655 585281147 /nfs/dbraw/zinc/28/11/47/585281147.db2.gz RERCLZNYZMANBV-LBPRGKRZSA-N 2 2 238.379 0.950 20 30 BCEDLP CO[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755634720 585303013 /nfs/dbraw/zinc/30/30/13/585303013.db2.gz PLDGCRPEBGQMGG-UHFFFAOYSA-N 2 2 235.291 0.209 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1[nH]c[nH+]c1C ZINC000774017918 585648641 /nfs/dbraw/zinc/64/86/41/585648641.db2.gz HZZRYPUHNDLVBE-UHFFFAOYSA-N 2 2 222.292 0.452 20 30 BCEDLP Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc[nH+]1 ZINC000841166225 587947967 /nfs/dbraw/zinc/94/79/67/587947967.db2.gz MBDYIGABUZQRNP-KOLCDFICSA-N 2 2 245.286 0.045 20 30 BCEDLP C=C(Cl)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846671409 588282132 /nfs/dbraw/zinc/28/21/32/588282132.db2.gz SEEWJJNWGIWYBJ-QMMMGPOBSA-N 2 2 219.716 0.134 20 30 BCEDLP CCNC(NCC[N@@H+]1CCCOCC1)=[NH+]CC ZINC000849021059 588438921 /nfs/dbraw/zinc/43/89/21/588438921.db2.gz JWOJFZPNAFHANV-UHFFFAOYSA-N 2 2 242.367 0.284 20 30 BCEDLP CCNC(NCC[N@H+]1CCCOCC1)=[NH+]CC ZINC000849021059 588438922 /nfs/dbraw/zinc/43/89/22/588438922.db2.gz JWOJFZPNAFHANV-UHFFFAOYSA-N 2 2 242.367 0.284 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851988714 588652346 /nfs/dbraw/zinc/65/23/46/588652346.db2.gz CLZFXPHLRSNAHV-NEPJUHHUSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851988714 588652347 /nfs/dbraw/zinc/65/23/47/588652347.db2.gz CLZFXPHLRSNAHV-NEPJUHHUSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000851988714 588652348 /nfs/dbraw/zinc/65/23/48/588652348.db2.gz CLZFXPHLRSNAHV-NEPJUHHUSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000851988714 588652349 /nfs/dbraw/zinc/65/23/49/588652349.db2.gz CLZFXPHLRSNAHV-NEPJUHHUSA-N 2 2 212.337 0.641 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]NCC(C)(C)O ZINC000863138725 589262672 /nfs/dbraw/zinc/26/26/72/589262672.db2.gz RGLUZWSOLZIPPN-UHFFFAOYSA-N 2 2 236.319 0.842 20 30 BCEDLP C[C@H]1C(=NNCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000872387440 589930697 /nfs/dbraw/zinc/93/06/97/589930697.db2.gz NIEIFSYYKBUQRL-NSHDSACASA-N 2 2 235.335 0.943 20 30 BCEDLP C[C@H]1C(=NNCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000872387440 589930698 /nfs/dbraw/zinc/93/06/98/589930698.db2.gz NIEIFSYYKBUQRL-NSHDSACASA-N 2 2 235.335 0.943 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000876765594 590239926 /nfs/dbraw/zinc/23/99/26/590239926.db2.gz VOLMCJYGDUALKC-QMMMGPOBSA-N 2 2 242.710 0.538 20 30 BCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000876778360 590240549 /nfs/dbraw/zinc/24/05/49/590240549.db2.gz CGGTWUOPXOAPPB-MRVPVSSYSA-N 2 2 242.710 0.804 20 30 BCEDLP C=CC[C@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877981919 590465057 /nfs/dbraw/zinc/46/50/57/590465057.db2.gz BZVRQDZZKPHXJX-OUAUKWLOSA-N 2 2 224.304 0.255 20 30 BCEDLP C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877981919 590465058 /nfs/dbraw/zinc/46/50/58/590465058.db2.gz BZVRQDZZKPHXJX-OUAUKWLOSA-N 2 2 224.304 0.255 20 30 BCEDLP C#CC[N@H+](CCn1cc[nH+]c1)C1CSC1 ZINC000878911813 590649263 /nfs/dbraw/zinc/64/92/63/590649263.db2.gz SAEMVXLABXAOQU-UHFFFAOYSA-N 2 2 221.329 0.934 20 30 BCEDLP C#CC[N@@H+](CCn1cc[nH+]c1)C1CSC1 ZINC000878911813 590649266 /nfs/dbraw/zinc/64/92/66/590649266.db2.gz SAEMVXLABXAOQU-UHFFFAOYSA-N 2 2 221.329 0.934 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140888 590943558 /nfs/dbraw/zinc/94/35/58/590943558.db2.gz FCBQKSAAGRRBER-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140888 590943560 /nfs/dbraw/zinc/94/35/60/590943560.db2.gz FCBQKSAAGRRBER-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140888 590943563 /nfs/dbraw/zinc/94/35/63/590943563.db2.gz FCBQKSAAGRRBER-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140888 590943566 /nfs/dbraw/zinc/94/35/66/590943566.db2.gz FCBQKSAAGRRBER-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP Cc1cc(NCC[N@@H+](C)CCO)c(C#N)c[nH+]1 ZINC000884826169 592017729 /nfs/dbraw/zinc/01/77/29/592017729.db2.gz MKUFZNCANIILDB-UHFFFAOYSA-N 2 2 234.303 0.020 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000886211159 592177647 /nfs/dbraw/zinc/17/76/47/592177647.db2.gz KFVUYLWVBSUDOF-MELADBBJSA-N 2 2 235.375 0.624 20 30 BCEDLP C#CCN1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000886211159 592177648 /nfs/dbraw/zinc/17/76/48/592177648.db2.gz KFVUYLWVBSUDOF-MELADBBJSA-N 2 2 235.375 0.624 20 30 BCEDLP N#CCCN1CC[NH+]([C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925726677 634522333 /nfs/dbraw/zinc/52/23/33/634522333.db2.gz JVKMMRXRRXZCOJ-STQMWFEESA-N 2 2 248.374 0.788 20 30 BCEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972614290 632534246 /nfs/dbraw/zinc/53/42/46/632534246.db2.gz HORPGFUWRDDTPC-NSHDSACASA-N 2 2 248.330 0.671 20 30 BCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972614290 632534255 /nfs/dbraw/zinc/53/42/55/632534255.db2.gz HORPGFUWRDDTPC-NSHDSACASA-N 2 2 248.330 0.671 20 30 BCEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972614286 632534775 /nfs/dbraw/zinc/53/47/75/632534775.db2.gz HORPGFUWRDDTPC-LLVKDONJSA-N 2 2 248.330 0.671 20 30 BCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972614286 632534777 /nfs/dbraw/zinc/53/47/77/632534777.db2.gz HORPGFUWRDDTPC-LLVKDONJSA-N 2 2 248.330 0.671 20 30 BCEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539571 635235793 /nfs/dbraw/zinc/23/57/93/635235793.db2.gz RWZJQUISGSYYSJ-GFCCVEGCSA-N 2 2 248.330 0.602 20 30 BCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539571 635235798 /nfs/dbraw/zinc/23/57/98/635235798.db2.gz RWZJQUISGSYYSJ-GFCCVEGCSA-N 2 2 248.330 0.602 20 30 BCEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539572 635236208 /nfs/dbraw/zinc/23/62/08/635236208.db2.gz RWZJQUISGSYYSJ-LBPRGKRZSA-N 2 2 248.330 0.602 20 30 BCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539572 635236215 /nfs/dbraw/zinc/23/62/15/635236215.db2.gz RWZJQUISGSYYSJ-LBPRGKRZSA-N 2 2 248.330 0.602 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987605220 636654582 /nfs/dbraw/zinc/65/45/82/636654582.db2.gz OTBFDOMUQKKPAP-NEPJUHHUSA-N 2 2 246.314 0.095 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC(C)(C)C ZINC000264154627 636805886 /nfs/dbraw/zinc/80/58/86/636805886.db2.gz SGAFOCSNQSJCJX-UHFFFAOYSA-N 2 2 223.324 0.847 20 30 BCEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989486511 636858176 /nfs/dbraw/zinc/85/81/76/636858176.db2.gz DRGNKSGMLROWBF-JQWIXIFHSA-N 2 2 246.314 0.164 20 30 BCEDLP C#CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787205 636879636 /nfs/dbraw/zinc/87/96/36/636879636.db2.gz KFTUWMGSQXTURM-UHFFFAOYSA-N 2 2 246.314 0.051 20 30 BCEDLP C#CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787205 636879641 /nfs/dbraw/zinc/87/96/41/636879641.db2.gz KFTUWMGSQXTURM-UHFFFAOYSA-N 2 2 246.314 0.051 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758411 639063710 /nfs/dbraw/zinc/06/37/10/639063710.db2.gz KLEWUQIWWJVESN-NSHDSACASA-N 2 2 248.330 0.432 20 30 BCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277740 640128671 /nfs/dbraw/zinc/12/86/71/640128671.db2.gz OFBKOZIFVJYRQX-GDNZZTSVSA-N 2 2 210.321 0.681 20 30 BCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277740 640128674 /nfs/dbraw/zinc/12/86/74/640128674.db2.gz OFBKOZIFVJYRQX-GDNZZTSVSA-N 2 2 210.321 0.681 20 30 BCEDLP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000934464075 641150396 /nfs/dbraw/zinc/15/03/96/641150396.db2.gz MCLAEJNBUSOOMQ-STQMWFEESA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000934464075 641150400 /nfs/dbraw/zinc/15/04/00/641150400.db2.gz MCLAEJNBUSOOMQ-STQMWFEESA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000934464075 641150404 /nfs/dbraw/zinc/15/04/04/641150404.db2.gz MCLAEJNBUSOOMQ-STQMWFEESA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000934464075 641150407 /nfs/dbraw/zinc/15/04/07/641150407.db2.gz MCLAEJNBUSOOMQ-STQMWFEESA-N 2 2 242.363 0.576 20 30 BCEDLP C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934511274 641178208 /nfs/dbraw/zinc/17/82/08/641178208.db2.gz LWPCBECMDIWDSM-KGLIPLIRSA-N 2 2 236.359 0.931 20 30 BCEDLP C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934511274 641178211 /nfs/dbraw/zinc/17/82/11/641178211.db2.gz LWPCBECMDIWDSM-KGLIPLIRSA-N 2 2 236.359 0.931 20 30 BCEDLP NC(=[NH2+])N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000915959395 641888182 /nfs/dbraw/zinc/88/81/82/641888182.db2.gz PTCZTRLHRWRCGW-UHFFFAOYSA-N 2 2 232.291 0.521 20 30 BCEDLP C=CCC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031390291 642059261 /nfs/dbraw/zinc/05/92/61/642059261.db2.gz KAFQUNDLADKKBB-UHFFFAOYSA-N 2 2 237.347 0.459 20 30 BCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC)C2)CC1 ZINC001031434771 642138279 /nfs/dbraw/zinc/13/82/79/642138279.db2.gz DTCNZNKEGSADON-UHFFFAOYSA-N 2 2 249.358 0.152 20 30 BCEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015998325 642943550 /nfs/dbraw/zinc/94/35/50/642943550.db2.gz OKIVWLJPQFJFNK-NSHDSACASA-N 2 2 248.330 0.339 20 30 BCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015998325 642943559 /nfs/dbraw/zinc/94/35/59/642943559.db2.gz OKIVWLJPQFJFNK-NSHDSACASA-N 2 2 248.330 0.339 20 30 BCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016396592 642959803 /nfs/dbraw/zinc/95/98/03/642959803.db2.gz DZZWVKBKWRFZFC-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016396592 642959809 /nfs/dbraw/zinc/95/98/09/642959809.db2.gz DZZWVKBKWRFZFC-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019564449 643039479 /nfs/dbraw/zinc/03/94/79/643039479.db2.gz PXTJFXWQCFVBAZ-JTQLQIEISA-N 2 2 234.303 0.329 20 30 BCEDLP C#CC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997127609 643587434 /nfs/dbraw/zinc/58/74/34/643587434.db2.gz RAUKJRYRLNJSIW-UHFFFAOYSA-N 2 2 246.314 0.166 20 30 BCEDLP C=CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999470768 643736102 /nfs/dbraw/zinc/73/61/02/643736102.db2.gz WHSXXMHDOWJJLM-UHFFFAOYSA-N 2 2 248.330 0.717 20 30 BCEDLP C#CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999468779 643736332 /nfs/dbraw/zinc/73/63/32/643736332.db2.gz IWLLIFCNCZXUNI-UHFFFAOYSA-N 2 2 246.314 0.164 20 30 BCEDLP C#CC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999605340 643737744 /nfs/dbraw/zinc/73/77/44/643737744.db2.gz IIJVFUGDCOIDNU-UHFFFAOYSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999605779 643737960 /nfs/dbraw/zinc/73/79/60/643737960.db2.gz OVOYXTBVFANNJW-UHFFFAOYSA-N 2 2 248.330 0.717 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361403 644386563 /nfs/dbraw/zinc/38/65/63/644386563.db2.gz QPZWFTHHZSTPCT-YNEHKIRRSA-N 2 2 224.348 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361403 644386569 /nfs/dbraw/zinc/38/65/69/644386569.db2.gz QPZWFTHHZSTPCT-YNEHKIRRSA-N 2 2 224.348 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458734 644439633 /nfs/dbraw/zinc/43/96/33/644439633.db2.gz SEUSMXUMYCZTCK-YNEHKIRRSA-N 2 2 224.348 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458734 644439637 /nfs/dbraw/zinc/43/96/37/644439637.db2.gz SEUSMXUMYCZTCK-YNEHKIRRSA-N 2 2 224.348 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923474893 644454816 /nfs/dbraw/zinc/45/48/16/644454816.db2.gz WWFGKWRZTZWCRE-NWDGAFQWSA-N 2 2 228.336 0.099 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923474893 644454818 /nfs/dbraw/zinc/45/48/18/644454818.db2.gz WWFGKWRZTZWCRE-NWDGAFQWSA-N 2 2 228.336 0.099 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000923559034 644499663 /nfs/dbraw/zinc/49/96/63/644499663.db2.gz CXTQXQUOZDPOQN-GFCCVEGCSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000923559034 644499668 /nfs/dbraw/zinc/49/96/68/644499668.db2.gz CXTQXQUOZDPOQN-GFCCVEGCSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000923558156 644503147 /nfs/dbraw/zinc/50/31/47/644503147.db2.gz WPLNDOOWHPRICX-GFCCVEGCSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000923558156 644503150 /nfs/dbraw/zinc/50/31/50/644503150.db2.gz WPLNDOOWHPRICX-GFCCVEGCSA-N 2 2 249.358 0.294 20 30 BCEDLP C[C@@H]1CNC(NN=C2C[C@@H](C)[N@H+](C)C2)=[NH+]1 ZINC000779797795 644715338 /nfs/dbraw/zinc/71/53/38/644715338.db2.gz JZTPMZOVCZSJFB-HTQZYQBOSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@@H]1CNC(NN=C2C[C@@H](C)[N@@H+](C)C2)=[NH+]1 ZINC000779797795 644715343 /nfs/dbraw/zinc/71/53/43/644715343.db2.gz JZTPMZOVCZSJFB-HTQZYQBOSA-N 2 2 209.297 0.004 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957653346 644746741 /nfs/dbraw/zinc/74/67/41/644746741.db2.gz RXQBWFQGSAVJSH-GFCCVEGCSA-N 2 2 237.347 0.268 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957653346 644746742 /nfs/dbraw/zinc/74/67/42/644746742.db2.gz RXQBWFQGSAVJSH-GFCCVEGCSA-N 2 2 237.347 0.268 20 30 BCEDLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CC#N)CC2 ZINC000930171575 646473748 /nfs/dbraw/zinc/47/37/48/646473748.db2.gz RSYSKZCXWNDIRK-GFCCVEGCSA-N 2 2 237.347 0.821 20 30 BCEDLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CC#N)CC2 ZINC000930171575 646473750 /nfs/dbraw/zinc/47/37/50/646473750.db2.gz RSYSKZCXWNDIRK-GFCCVEGCSA-N 2 2 237.347 0.821 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnnn1C ZINC000926489597 646658834 /nfs/dbraw/zinc/65/88/34/646658834.db2.gz IUXBCXLVVPLGIZ-LLVKDONJSA-N 2 2 235.335 0.421 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnnn1C ZINC000926489597 646658838 /nfs/dbraw/zinc/65/88/38/646658838.db2.gz IUXBCXLVVPLGIZ-LLVKDONJSA-N 2 2 235.335 0.421 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720621657 712859761 /nfs/dbraw/zinc/85/97/61/712859761.db2.gz GXCQZXOFKZNDOC-NTZNESFSSA-N 2 2 237.347 0.218 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000384207541 710831840 /nfs/dbraw/zinc/83/18/40/710831840.db2.gz NUHFTSTURGARAS-OLZOCXBDSA-N 2 2 242.363 0.317 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000384207541 710831846 /nfs/dbraw/zinc/83/18/46/710831846.db2.gz NUHFTSTURGARAS-OLZOCXBDSA-N 2 2 242.363 0.317 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000384130150 710989217 /nfs/dbraw/zinc/98/92/17/710989217.db2.gz AIXDSUOYPCTWHX-NEPJUHHUSA-N 2 2 212.337 0.691 20 30 BCEDLP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000384130150 710989219 /nfs/dbraw/zinc/98/92/19/710989219.db2.gz AIXDSUOYPCTWHX-NEPJUHHUSA-N 2 2 212.337 0.691 20 30 BCEDLP C#C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000381466934 710641146 /nfs/dbraw/zinc/64/11/46/710641146.db2.gz MYCYJUSFHJUMFE-STQMWFEESA-N 2 2 222.332 0.851 20 30 BCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457287 711991897 /nfs/dbraw/zinc/99/18/97/711991897.db2.gz HNVMAYGZCJSZRQ-LBPRGKRZSA-N 2 2 246.314 0.118 20 30 BCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457287 711991898 /nfs/dbraw/zinc/99/18/98/711991898.db2.gz HNVMAYGZCJSZRQ-LBPRGKRZSA-N 2 2 246.314 0.118 20 30 BCEDLP C[NH+](C)CC1(O)CC[NH+](CCC#N)CC1 ZINC000710641812 712264966 /nfs/dbraw/zinc/26/49/66/712264966.db2.gz MFBINLITGDSRHY-UHFFFAOYSA-N 2 2 211.309 0.289 20 30 BCEDLP CC(C[NH+]1Cc2ccccc2C1)N=NC(N)=[NH2+] ZINC000792631386 712423036 /nfs/dbraw/zinc/42/30/36/712423036.db2.gz SIPLCZIHMOWFNB-UHFFFAOYSA-N 2 2 231.303 0.861 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720621657 712859759 /nfs/dbraw/zinc/85/97/59/712859759.db2.gz GXCQZXOFKZNDOC-NTZNESFSSA-N 2 2 237.347 0.218 20 30 BCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602611350 343934777 /nfs/dbraw/zinc/93/47/77/343934777.db2.gz KJWLFGVEOOWXRG-ZDUSSCGKSA-N 2 2 246.314 0.109 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600729061 344364170 /nfs/dbraw/zinc/36/41/70/344364170.db2.gz WKSNRWXYIKDURL-QWRGUYRKSA-N 2 2 211.309 0.192 20 30 BCEDLP N#CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609417802 344722603 /nfs/dbraw/zinc/72/26/03/344722603.db2.gz ZSUXZQBLFXAWNO-LLVKDONJSA-N 2 2 247.302 0.160 20 30 BCEDLP N#CCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609417802 344722604 /nfs/dbraw/zinc/72/26/04/344722604.db2.gz ZSUXZQBLFXAWNO-LLVKDONJSA-N 2 2 247.302 0.160 20 30 BCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280423 345227283 /nfs/dbraw/zinc/22/72/83/345227283.db2.gz XZPCLFHMMGAGCZ-OLZOCXBDSA-N 2 2 224.348 0.689 20 30 BCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000381280423 345227287 /nfs/dbraw/zinc/22/72/87/345227287.db2.gz XZPCLFHMMGAGCZ-OLZOCXBDSA-N 2 2 224.348 0.689 20 30 BCEDLP CC#CC[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000641768106 362705596 /nfs/dbraw/zinc/70/55/96/362705596.db2.gz WJQCKNPDQZYGPD-LLVKDONJSA-N 2 2 233.315 0.693 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000563628366 323132382 /nfs/dbraw/zinc/13/23/82/323132382.db2.gz FIJWWGJVTFUQFL-ZDUSSCGKSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000563628366 323132383 /nfs/dbraw/zinc/13/23/83/323132383.db2.gz FIJWWGJVTFUQFL-ZDUSSCGKSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000563628366 323132384 /nfs/dbraw/zinc/13/23/84/323132384.db2.gz FIJWWGJVTFUQFL-ZDUSSCGKSA-N 2 2 242.363 0.576 20 30 BCEDLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150798 347741616 /nfs/dbraw/zinc/74/16/16/347741616.db2.gz GRKANOUMADXJQS-GFCCVEGCSA-N 2 2 234.303 0.542 20 30 BCEDLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150798 347741619 /nfs/dbraw/zinc/74/16/19/347741619.db2.gz GRKANOUMADXJQS-GFCCVEGCSA-N 2 2 234.303 0.542 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612697 348083479 /nfs/dbraw/zinc/08/34/79/348083479.db2.gz PQEFGDZTNIOEJL-WCQYABFASA-N 2 2 237.347 0.989 20 30 BCEDLP N#CCC[C@@H](C#N)C[NH2+]CCn1cc[nH+]c1 ZINC000563880933 323182812 /nfs/dbraw/zinc/18/28/12/323182812.db2.gz DFCJTSKZAOXJRD-NSHDSACASA-N 2 2 217.276 0.916 20 30 BCEDLP N#Cc1ccc(CC[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000595888013 348389333 /nfs/dbraw/zinc/38/93/33/348389333.db2.gz KTGKGLKNDFCSDD-AWEZNQCLSA-N 2 2 245.326 0.760 20 30 BCEDLP N#Cc1ccc(CC[N@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000595888013 348389335 /nfs/dbraw/zinc/38/93/35/348389335.db2.gz KTGKGLKNDFCSDD-AWEZNQCLSA-N 2 2 245.326 0.760 20 30 BCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599091537 349091350 /nfs/dbraw/zinc/09/13/50/349091350.db2.gz BZWOVGWMJZIRRO-AGIUHOORSA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599091537 349091354 /nfs/dbraw/zinc/09/13/54/349091354.db2.gz BZWOVGWMJZIRRO-AGIUHOORSA-N 2 2 237.347 0.725 20 30 BCEDLP Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000599176030 349104111 /nfs/dbraw/zinc/10/41/11/349104111.db2.gz OUDQQRIQHKJOKA-GFCCVEGCSA-N 2 2 246.314 0.162 20 30 BCEDLP C=C[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000289937651 351011161 /nfs/dbraw/zinc/01/11/61/351011161.db2.gz UDHGGHZRRWELIZ-JTQLQIEISA-N 2 2 217.272 0.971 20 30 BCEDLP C[C@H]1C[NH+]=C(NCCCNc2cccc[nH+]2)N1 ZINC000285091213 352021444 /nfs/dbraw/zinc/02/14/44/352021444.db2.gz NWKQZIZRXHDJAL-JTQLQIEISA-N 2 2 233.319 0.821 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1=O ZINC000281399183 353446107 /nfs/dbraw/zinc/44/61/07/353446107.db2.gz QIBRHXCWHGPPRC-LBPRGKRZSA-N 2 2 248.330 0.602 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1=O ZINC000281399183 353446109 /nfs/dbraw/zinc/44/61/09/353446109.db2.gz QIBRHXCWHGPPRC-LBPRGKRZSA-N 2 2 248.330 0.602 20 30 BCEDLP Cc1cc(N2CCCO[C@@H](C[NH3+])C2)c(C#N)c[nH+]1 ZINC000399066572 353764257 /nfs/dbraw/zinc/76/42/57/353764257.db2.gz KTZCCYQCTQCDNR-LBPRGKRZSA-N 2 2 246.314 0.816 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)o1 ZINC000266200407 181109450 /nfs/dbraw/zinc/10/94/50/181109450.db2.gz LBGRNIUSPQRGBS-NSHDSACASA-N 2 2 249.314 0.698 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)C2(C[NH3+])CCC2)C1=O ZINC000420325552 192230606 /nfs/dbraw/zinc/23/06/06/192230606.db2.gz IUNFSMILKQWFTR-NSHDSACASA-N 2 2 237.347 0.587 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)C2(C[NH3+])CCC2)C1=O ZINC000420325552 192230608 /nfs/dbraw/zinc/23/06/08/192230608.db2.gz IUNFSMILKQWFTR-NSHDSACASA-N 2 2 237.347 0.587 20 30 BCEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767406 356696597 /nfs/dbraw/zinc/69/65/97/356696597.db2.gz QYZDYHGDUWILIG-CHWSQXEVSA-N 2 2 242.363 0.312 20 30 BCEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767406 356696598 /nfs/dbraw/zinc/69/65/98/356696598.db2.gz QYZDYHGDUWILIG-CHWSQXEVSA-N 2 2 242.363 0.312 20 30 BCEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000424075978 491108866 /nfs/dbraw/zinc/10/88/66/491108866.db2.gz KRWNHIYHGWCUND-SECBINFHSA-N 2 2 233.275 0.623 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000677817324 491138546 /nfs/dbraw/zinc/13/85/46/491138546.db2.gz KCTJLWJAEPIHHQ-GFCCVEGCSA-N 2 2 210.321 0.520 20 30 BCEDLP COCC#CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000677817324 491138547 /nfs/dbraw/zinc/13/85/47/491138547.db2.gz KCTJLWJAEPIHHQ-GFCCVEGCSA-N 2 2 210.321 0.520 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584338 361467908 /nfs/dbraw/zinc/46/79/08/361467908.db2.gz OXXYCDSGOVLWMF-BETUJISGSA-N 2 2 237.347 0.220 20 30 BCEDLP C=CCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584338 361467912 /nfs/dbraw/zinc/46/79/12/361467912.db2.gz OXXYCDSGOVLWMF-BETUJISGSA-N 2 2 237.347 0.220 20 30 BCEDLP CC#CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575193168 365235924 /nfs/dbraw/zinc/23/59/24/365235924.db2.gz GSOSLAAWGCHAKZ-UHFFFAOYSA-N 2 2 204.277 0.555 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180033520 541506843 /nfs/dbraw/zinc/50/68/43/541506843.db2.gz ZASWJWORFLACRV-QWRGUYRKSA-N 2 2 225.336 0.361 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180033520 541506846 /nfs/dbraw/zinc/50/68/46/541506846.db2.gz ZASWJWORFLACRV-QWRGUYRKSA-N 2 2 225.336 0.361 20 30 BCEDLP N#CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000579943213 367093841 /nfs/dbraw/zinc/09/38/41/367093841.db2.gz GDOAWKKLMHCQFB-QWHCGFSZSA-N 2 2 237.347 0.867 20 30 BCEDLP N#CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000579943214 367094025 /nfs/dbraw/zinc/09/40/25/367094025.db2.gz GDOAWKKLMHCQFB-STQMWFEESA-N 2 2 237.347 0.867 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000581202171 367295270 /nfs/dbraw/zinc/29/52/70/367295270.db2.gz SBDCJUOWCYSQFT-NWDGAFQWSA-N 2 2 243.351 0.207 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000581202171 367295272 /nfs/dbraw/zinc/29/52/72/367295272.db2.gz SBDCJUOWCYSQFT-NWDGAFQWSA-N 2 2 243.351 0.207 20 30 BCEDLP C=C(C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567249319 326150378 /nfs/dbraw/zinc/15/03/78/326150378.db2.gz SYDMTQGXAYUGQV-NSHDSACASA-N 2 2 240.351 0.237 20 30 BCEDLP C=C(C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567249319 326150379 /nfs/dbraw/zinc/15/03/79/326150379.db2.gz SYDMTQGXAYUGQV-NSHDSACASA-N 2 2 240.351 0.237 20 30 BCEDLP CN(CC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363460340 384062250 /nfs/dbraw/zinc/06/22/50/384062250.db2.gz BBFBVUFRDYPMPA-ZDUSSCGKSA-N 2 2 236.363 0.610 20 30 BCEDLP CN(CC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363460340 384062257 /nfs/dbraw/zinc/06/22/57/384062257.db2.gz BBFBVUFRDYPMPA-ZDUSSCGKSA-N 2 2 236.363 0.610 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849813 384175731 /nfs/dbraw/zinc/17/57/31/384175731.db2.gz ZIGYTJYBIGKZRW-OCCSQVGLSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849813 384175735 /nfs/dbraw/zinc/17/57/35/384175735.db2.gz ZIGYTJYBIGKZRW-OCCSQVGLSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367849813 384175737 /nfs/dbraw/zinc/17/57/37/384175737.db2.gz ZIGYTJYBIGKZRW-OCCSQVGLSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367849813 384175742 /nfs/dbraw/zinc/17/57/42/384175742.db2.gz ZIGYTJYBIGKZRW-OCCSQVGLSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2CC2)CC1 ZINC000490740176 384368727 /nfs/dbraw/zinc/36/87/27/384368727.db2.gz IWEPAOYLKUBPAA-UHFFFAOYSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2CC2)CC1 ZINC000490740176 384368736 /nfs/dbraw/zinc/36/87/36/384368736.db2.gz IWEPAOYLKUBPAA-UHFFFAOYSA-N 2 2 249.358 0.106 20 30 BCEDLP CN(C)C(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000170908311 385454781 /nfs/dbraw/zinc/45/47/81/385454781.db2.gz CNZQCLCFOHLVMY-UHFFFAOYSA-N 2 2 231.303 0.982 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCCC1 ZINC000171411945 385483640 /nfs/dbraw/zinc/48/36/40/385483640.db2.gz AYGOUWSGAHWEMS-UHFFFAOYSA-N 2 2 221.308 0.554 20 30 BCEDLP C[C@H]1C[NH+](CCn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000602854199 385828217 /nfs/dbraw/zinc/82/82/17/385828217.db2.gz NXHIZNLEJUYHKU-STQMWFEESA-N 2 2 247.346 0.801 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647927110 385985095 /nfs/dbraw/zinc/98/50/95/385985095.db2.gz ZNMPPGGNTQICOF-JTQLQIEISA-N 2 2 225.336 0.490 20 30 BCEDLP Cc1c[nH+]ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424151681 387793774 /nfs/dbraw/zinc/79/37/74/387793774.db2.gz HMNJRMZAAZNGFE-SNVBAGLBSA-N 2 2 232.287 0.772 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000453353350 388057245 /nfs/dbraw/zinc/05/72/45/388057245.db2.gz LIMFPFSWGSMGEH-UTUOFQBUSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000453353350 388057248 /nfs/dbraw/zinc/05/72/48/388057248.db2.gz LIMFPFSWGSMGEH-UTUOFQBUSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000453353349 388057334 /nfs/dbraw/zinc/05/73/34/388057334.db2.gz LIMFPFSWGSMGEH-TUAOUCFPSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000453353349 388057338 /nfs/dbraw/zinc/05/73/38/388057338.db2.gz LIMFPFSWGSMGEH-TUAOUCFPSA-N 2 2 212.337 0.853 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+](CC)C1CC1 ZINC000491441205 388294592 /nfs/dbraw/zinc/29/45/92/388294592.db2.gz ULNRYTUYWGEBMP-UHFFFAOYSA-N 2 2 237.347 0.200 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CC[N@H+](CC)C1CC1 ZINC000491441205 388294594 /nfs/dbraw/zinc/29/45/94/388294594.db2.gz ULNRYTUYWGEBMP-UHFFFAOYSA-N 2 2 237.347 0.200 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491567174 388304239 /nfs/dbraw/zinc/30/42/39/388304239.db2.gz JUIBMCYIJMTGIV-LBPRGKRZSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491567174 388304240 /nfs/dbraw/zinc/30/42/40/388304240.db2.gz JUIBMCYIJMTGIV-LBPRGKRZSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491567174 388304241 /nfs/dbraw/zinc/30/42/41/388304241.db2.gz JUIBMCYIJMTGIV-LBPRGKRZSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000491567174 388304242 /nfs/dbraw/zinc/30/42/42/388304242.db2.gz JUIBMCYIJMTGIV-LBPRGKRZSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000491703812 388312966 /nfs/dbraw/zinc/31/29/66/388312966.db2.gz IFILLLBDFVLLGZ-LBPRGKRZSA-N 2 2 242.363 0.269 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491703812 388312967 /nfs/dbraw/zinc/31/29/67/388312967.db2.gz IFILLLBDFVLLGZ-LBPRGKRZSA-N 2 2 242.363 0.269 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491703812 388312968 /nfs/dbraw/zinc/31/29/68/388312968.db2.gz IFILLLBDFVLLGZ-LBPRGKRZSA-N 2 2 242.363 0.269 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CCc1cc[nH+]cc1C ZINC000491731187 388315575 /nfs/dbraw/zinc/31/55/75/388315575.db2.gz PLDWCKMXKLDBCK-UHFFFAOYSA-N 2 2 245.326 0.662 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CCCn1cc[nH+]c1 ZINC000491756976 388318464 /nfs/dbraw/zinc/31/84/64/388318464.db2.gz BBAVKXDRVVNKPW-UHFFFAOYSA-N 2 2 234.303 0.002 20 30 BCEDLP C#CC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491769658 388319117 /nfs/dbraw/zinc/31/91/17/388319117.db2.gz NEYLFSNBHYIWFL-UHFFFAOYSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491769658 388319118 /nfs/dbraw/zinc/31/91/18/388319118.db2.gz NEYLFSNBHYIWFL-UHFFFAOYSA-N 2 2 249.358 0.294 20 30 BCEDLP C#C[C@@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000491817126 388323662 /nfs/dbraw/zinc/32/36/62/388323662.db2.gz UQANAOXDYTVRDI-GFCCVEGCSA-N 2 2 233.315 0.687 20 30 BCEDLP C#C[C@@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000491817126 388323663 /nfs/dbraw/zinc/32/36/63/388323663.db2.gz UQANAOXDYTVRDI-GFCCVEGCSA-N 2 2 233.315 0.687 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)C[C@H]2C)CC1 ZINC000491039368 388266469 /nfs/dbraw/zinc/26/64/69/388266469.db2.gz OERIEDLEMNTSBV-CHWSQXEVSA-N 2 2 249.358 0.247 20 30 BCEDLP Cc1cc(NC[C@H]2C[NH2+]CCCO2)c(C#N)c[nH+]1 ZINC000333333668 388813392 /nfs/dbraw/zinc/81/33/92/388813392.db2.gz WSNWIPLRHWUASX-GFCCVEGCSA-N 2 2 246.314 0.474 20 30 BCEDLP C[NH+]=C(NCC[NH+]1CCC1)NC1CCCC1 ZINC000261611748 533477891 /nfs/dbraw/zinc/47/78/91/533477891.db2.gz ATRDCBFYIKAWLG-UHFFFAOYSA-N 2 2 224.352 0.800 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200118 134175179 /nfs/dbraw/zinc/17/51/79/134175179.db2.gz VNLIFQQOXLTMPQ-VXGBXAGGSA-N 2 2 239.363 0.561 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200118 134175180 /nfs/dbraw/zinc/17/51/80/134175180.db2.gz VNLIFQQOXLTMPQ-VXGBXAGGSA-N 2 2 239.363 0.561 20 30 BCEDLP CNC(NCCc1cn2c([nH+]1)CCCC2)=[NH+]C ZINC000360448926 134200650 /nfs/dbraw/zinc/20/06/50/134200650.db2.gz OTVPSHNGBAKCGG-UHFFFAOYSA-N 2 2 235.335 0.557 20 30 BCEDLP C=CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827626 134214755 /nfs/dbraw/zinc/21/47/55/134214755.db2.gz ANYMJWJYHHPAQF-LBPRGKRZSA-N 2 2 237.347 0.459 20 30 BCEDLP C=CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827626 134214756 /nfs/dbraw/zinc/21/47/56/134214756.db2.gz ANYMJWJYHHPAQF-LBPRGKRZSA-N 2 2 237.347 0.459 20 30 BCEDLP C[C@H]1C[NH+]=C(NCCc2cn3ccccc3[nH+]2)N1 ZINC000262671386 135121164 /nfs/dbraw/zinc/12/11/64/135121164.db2.gz RFICYYCGPUILTM-JTQLQIEISA-N 2 2 243.314 0.814 20 30 BCEDLP CCCCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264067901 135131038 /nfs/dbraw/zinc/13/10/38/135131038.db2.gz FJNPGLBDBWMDHI-UHFFFAOYSA-N 2 2 223.324 0.978 20 30 BCEDLP CC[C@@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264153305 135135976 /nfs/dbraw/zinc/13/59/76/135135976.db2.gz ZUBISRLOKOFTQR-SNVBAGLBSA-N 2 2 223.324 0.976 20 30 BCEDLP CCCNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267438312 135154388 /nfs/dbraw/zinc/15/43/88/135154388.db2.gz OHTXQQZSXBYUJT-UHFFFAOYSA-N 2 2 238.339 0.300 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000261562376 135203540 /nfs/dbraw/zinc/20/35/40/135203540.db2.gz BGDFUETZCBEAKU-JTQLQIEISA-N 2 2 225.336 0.361 20 30 BCEDLP c1ccc(NCCCNC2=[NH+]CCCN2)[nH+]c1 ZINC000341637181 135241414 /nfs/dbraw/zinc/24/14/14/135241414.db2.gz QWQNIBVBHNZQOW-UHFFFAOYSA-N 2 2 233.319 0.823 20 30 BCEDLP C[C@H]1COCC[N@@H+]1CC[NH+]=C(N(C)C)N(C)C ZINC000261967538 135267121 /nfs/dbraw/zinc/26/71/21/135267121.db2.gz BTZITGZQQOYLDS-NSHDSACASA-N 2 2 242.367 0.186 20 30 BCEDLP C[C@H]1COCC[N@H+]1CC[NH+]=C(N(C)C)N(C)C ZINC000261967538 135267122 /nfs/dbraw/zinc/26/71/22/135267122.db2.gz BTZITGZQQOYLDS-NSHDSACASA-N 2 2 242.367 0.186 20 30 BCEDLP C[C@H]1CCCN(C(=[NH2+])NCc2c[nH+]cn2C)C1 ZINC000262343107 135294039 /nfs/dbraw/zinc/29/40/39/135294039.db2.gz DCFOJIPNPWYTJG-JTQLQIEISA-N 2 2 235.335 0.967 20 30 BCEDLP Cn1c[nH+]cc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262373338 135298027 /nfs/dbraw/zinc/29/80/27/135298027.db2.gz MISBKDHSOHSVMR-SNVBAGLBSA-N 2 2 237.307 0.003 20 30 BCEDLP C[C@H]1C[NH+]=C(NCC(C)(C)[NH+]2CCOCC2)N1 ZINC000262686230 135313762 /nfs/dbraw/zinc/31/37/62/135313762.db2.gz YMHIWLVUZBVPQY-JTQLQIEISA-N 2 2 240.351 0.035 20 30 BCEDLP [NH2+]=C(NCCn1cc[nH+]c1)N1CCSCC1 ZINC000263239703 135342075 /nfs/dbraw/zinc/34/20/75/135342075.db2.gz KUMJORWPPPKFEO-UHFFFAOYSA-N 2 2 239.348 0.247 20 30 BCEDLP CNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264073059 135361838 /nfs/dbraw/zinc/36/18/38/135361838.db2.gz DTCMJJFVBQHZCO-UHFFFAOYSA-N 2 2 220.320 0.653 20 30 BCEDLP CNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264073059 135361840 /nfs/dbraw/zinc/36/18/40/135361840.db2.gz DTCMJJFVBQHZCO-UHFFFAOYSA-N 2 2 220.320 0.653 20 30 BCEDLP C=CC[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000662730230 409876376 /nfs/dbraw/zinc/87/63/76/409876376.db2.gz ADCRFANJBIZZHV-CYBMUJFWSA-N 2 2 248.330 0.767 20 30 BCEDLP C=CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653158903 410035513 /nfs/dbraw/zinc/03/55/13/410035513.db2.gz OXCLIUIFCADXGO-LLVKDONJSA-N 2 2 225.336 0.442 20 30 BCEDLP C=CCC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000653636194 411153142 /nfs/dbraw/zinc/15/31/42/411153142.db2.gz VITZJEGJOOHXLN-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CCC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000653636194 411153145 /nfs/dbraw/zinc/15/31/45/411153145.db2.gz VITZJEGJOOHXLN-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CCC[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000653636194 411153147 /nfs/dbraw/zinc/15/31/47/411153147.db2.gz VITZJEGJOOHXLN-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CCC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000653636194 411153149 /nfs/dbraw/zinc/15/31/49/411153149.db2.gz VITZJEGJOOHXLN-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656544030 411299194 /nfs/dbraw/zinc/29/91/94/411299194.db2.gz VTASTCZAARJNRZ-UHFFFAOYSA-N 2 2 242.367 0.355 20 30 BCEDLP C=CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656544030 411299196 /nfs/dbraw/zinc/29/91/96/411299196.db2.gz VTASTCZAARJNRZ-UHFFFAOYSA-N 2 2 242.367 0.355 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122711288 411435228 /nfs/dbraw/zinc/43/52/28/411435228.db2.gz KIDARYKEBBMHMG-MNOVXSKESA-N 2 2 225.336 0.348 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122711288 411435230 /nfs/dbraw/zinc/43/52/30/411435230.db2.gz KIDARYKEBBMHMG-MNOVXSKESA-N 2 2 225.336 0.348 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246366485 323008694 /nfs/dbraw/zinc/00/86/94/323008694.db2.gz LJVJBSWKBWTVMR-RYUDHWBXSA-N 2 2 237.347 0.008 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246366485 323008695 /nfs/dbraw/zinc/00/86/95/323008695.db2.gz LJVJBSWKBWTVMR-RYUDHWBXSA-N 2 2 237.347 0.008 20 30 BCEDLP C=C1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653174123 487959115 /nfs/dbraw/zinc/95/91/15/487959115.db2.gz BWLGRFRDMOFNBW-NSHDSACASA-N 2 2 225.336 0.444 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+](C)CCCC ZINC000491742961 491080451 /nfs/dbraw/zinc/08/04/51/491080451.db2.gz KCQYBTHPXXESDH-UHFFFAOYSA-N 2 2 239.363 0.447 20 30 BCEDLP C#CCNC(=O)CC[NH2+]CC[N@H+](C)CCCC ZINC000491742961 491080452 /nfs/dbraw/zinc/08/04/52/491080452.db2.gz KCQYBTHPXXESDH-UHFFFAOYSA-N 2 2 239.363 0.447 20 30 BCEDLP CNC(=[NH2+])NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000303260940 536305332 /nfs/dbraw/zinc/30/53/32/536305332.db2.gz NYLHEUYSBQZYNP-UHFFFAOYSA-N 2 2 230.275 0.301 20 30 BCEDLP C=CCNC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000261875169 534845056 /nfs/dbraw/zinc/84/50/56/534845056.db2.gz PQHKTGYDCJORJA-UHFFFAOYSA-N 2 2 247.346 0.852 20 30 BCEDLP CC(C)CCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303980981 535385028 /nfs/dbraw/zinc/38/50/28/535385028.db2.gz ONMGQHBFMCYSBR-LLVKDONJSA-N 2 2 242.367 0.267 20 30 BCEDLP CC(C)CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303980981 535385029 /nfs/dbraw/zinc/38/50/29/535385029.db2.gz ONMGQHBFMCYSBR-LLVKDONJSA-N 2 2 242.367 0.267 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140890 583473144 /nfs/dbraw/zinc/47/31/44/583473144.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140890 583473145 /nfs/dbraw/zinc/47/31/45/583473145.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140890 583473147 /nfs/dbraw/zinc/47/31/47/583473147.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140890 583473149 /nfs/dbraw/zinc/47/31/49/583473149.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159421 583609027 /nfs/dbraw/zinc/60/90/27/583609027.db2.gz VMCBYLAIGUBPEY-MXWKQRLJSA-N 2 2 241.335 0.439 20 30 BCEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@H+]1C ZINC000895159421 583609029 /nfs/dbraw/zinc/60/90/29/583609029.db2.gz VMCBYLAIGUBPEY-MXWKQRLJSA-N 2 2 241.335 0.439 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](Nc2nc(N)cc(C)[nH+]2)C1 ZINC000895203051 583624480 /nfs/dbraw/zinc/62/44/80/583624480.db2.gz VJPMYBVFNPPESV-NSHDSACASA-N 2 2 245.330 0.877 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](Nc2nc(N)cc(C)[nH+]2)C1 ZINC000895203051 583624481 /nfs/dbraw/zinc/62/44/81/583624481.db2.gz VJPMYBVFNPPESV-NSHDSACASA-N 2 2 245.330 0.877 20 30 BCEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000895333202 583652145 /nfs/dbraw/zinc/65/21/45/583652145.db2.gz ZXQXLBOLLNUOHY-GFCCVEGCSA-N 2 2 219.288 0.928 20 30 BCEDLP C=C[C@H](CO)[NH2+]Cc1c(C)cc[nH+]c1N ZINC000895340284 583654700 /nfs/dbraw/zinc/65/47/00/583654700.db2.gz NVAKECFDUAQCMI-SECBINFHSA-N 2 2 207.277 0.609 20 30 BCEDLP C#CC[NH+]1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000895811891 583733139 /nfs/dbraw/zinc/73/31/39/583733139.db2.gz KGFWOFUQNYLZSF-UHFFFAOYSA-N 2 2 246.318 0.272 20 30 BCEDLP C#CC[NH+]1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000895811891 583733141 /nfs/dbraw/zinc/73/31/41/583733141.db2.gz KGFWOFUQNYLZSF-UHFFFAOYSA-N 2 2 246.318 0.272 20 30 BCEDLP CC(=[NH+]NCCc1ccccn1)c1c[nH]c(N)[nH+]1 ZINC000901235033 584404970 /nfs/dbraw/zinc/40/49/70/584404970.db2.gz SQHBMJJGHFMTTF-UHFFFAOYSA-N 2 2 244.302 0.943 20 30 BCEDLP N#C[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563703 584782261 /nfs/dbraw/zinc/78/22/61/584782261.db2.gz JXXKJXCWNKFLQJ-NEPJUHHUSA-N 2 2 235.331 0.743 20 30 BCEDLP N#C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563703 584782262 /nfs/dbraw/zinc/78/22/62/584782262.db2.gz JXXKJXCWNKFLQJ-NEPJUHHUSA-N 2 2 235.331 0.743 20 30 BCEDLP C#CCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000731847142 584929422 /nfs/dbraw/zinc/92/94/22/584929422.db2.gz DWLLRZJLJMPSFX-UHFFFAOYSA-N 2 2 246.314 0.269 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000748350003 585191161 /nfs/dbraw/zinc/19/11/61/585191161.db2.gz MOLKODOKAGTDIJ-STQMWFEESA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000748350003 585191162 /nfs/dbraw/zinc/19/11/62/585191162.db2.gz MOLKODOKAGTDIJ-STQMWFEESA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](C)C1 ZINC000748350003 585191163 /nfs/dbraw/zinc/19/11/63/585191163.db2.gz MOLKODOKAGTDIJ-STQMWFEESA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](C)C1 ZINC000748350003 585191164 /nfs/dbraw/zinc/19/11/64/585191164.db2.gz MOLKODOKAGTDIJ-STQMWFEESA-N 2 2 249.358 0.247 20 30 BCEDLP C[C@@H]1C[N@@H+](C2CC2)CC1=NN1CC[NH+](C)CC1 ZINC000755874491 585308882 /nfs/dbraw/zinc/30/88/82/585308882.db2.gz POAPUNIELAKVQV-LLVKDONJSA-N 2 2 236.363 0.704 20 30 BCEDLP C[C@@H]1C[N@H+](C2CC2)CC1=NN1CC[NH+](C)CC1 ZINC000755874491 585308883 /nfs/dbraw/zinc/30/88/83/585308883.db2.gz POAPUNIELAKVQV-LLVKDONJSA-N 2 2 236.363 0.704 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000769961850 585567375 /nfs/dbraw/zinc/56/73/75/585567375.db2.gz OENTUYRNSWAZJM-NEPJUHHUSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000769961850 585567376 /nfs/dbraw/zinc/56/73/76/585567376.db2.gz OENTUYRNSWAZJM-NEPJUHHUSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000769961854 585567486 /nfs/dbraw/zinc/56/74/86/585567486.db2.gz OENTUYRNSWAZJM-NWDGAFQWSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000769961854 585567487 /nfs/dbraw/zinc/56/74/87/585567487.db2.gz OENTUYRNSWAZJM-NWDGAFQWSA-N 2 2 210.321 0.397 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]N[C@@H]1CCC[C@H]1O ZINC000817335914 586796863 /nfs/dbraw/zinc/79/68/63/586796863.db2.gz RTFNYBVQERXPSU-DGCLKSJQSA-N 2 2 248.330 0.985 20 30 BCEDLP CC(=[NH+]NC1=[NH+]CCN1)c1ccc(N)cc1C ZINC000841659764 587969681 /nfs/dbraw/zinc/96/96/81/587969681.db2.gz DDGQQTNJNSWBGJ-UHFFFAOYSA-N 2 2 231.303 0.850 20 30 BCEDLP C[C@H](C#N)OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846875462 588294954 /nfs/dbraw/zinc/29/49/54/588294954.db2.gz HSIITULJQPADID-LLVKDONJSA-N 2 2 249.318 0.460 20 30 BCEDLP C#C[C@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@H]1CCCO1 ZINC000850251099 588531746 /nfs/dbraw/zinc/53/17/46/588531746.db2.gz LVNSNOZEUVYYKJ-QWHCGFSZSA-N 2 2 233.315 0.999 20 30 BCEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@@H]1CCCO1 ZINC000850251098 588532041 /nfs/dbraw/zinc/53/20/41/588532041.db2.gz LVNSNOZEUVYYKJ-OLZOCXBDSA-N 2 2 233.315 0.999 20 30 BCEDLP C#CCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852104802 588663867 /nfs/dbraw/zinc/66/38/67/588663867.db2.gz OBBPZIKDHKXAEN-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852104802 588663868 /nfs/dbraw/zinc/66/38/68/588663868.db2.gz OBBPZIKDHKXAEN-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852104802 588663869 /nfs/dbraw/zinc/66/38/69/588663869.db2.gz OBBPZIKDHKXAEN-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852104802 588663870 /nfs/dbraw/zinc/66/38/70/588663870.db2.gz OBBPZIKDHKXAEN-CQSZACIVSA-N 2 2 249.358 0.154 20 30 BCEDLP Nc1ccc(NC(=O)C#CC2CC[NH2+]CC2)c[nH+]1 ZINC000852794685 588703286 /nfs/dbraw/zinc/70/32/86/588703286.db2.gz BSRZMSDWZUIHOY-UHFFFAOYSA-N 2 2 244.298 0.605 20 30 BCEDLP Cc1c[nH+]ccc1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000863158221 589263713 /nfs/dbraw/zinc/26/37/13/589263713.db2.gz RMYXSDCRSTYDFB-GFCCVEGCSA-N 2 2 244.298 0.975 20 30 BCEDLP CNC(NC[C@H]1c2ccccc2C[N@H+]1C)=[NH+]C ZINC000864358095 589355444 /nfs/dbraw/zinc/35/54/44/589355444.db2.gz ISCVGXMQVGLOKN-LBPRGKRZSA-N 2 2 232.331 0.968 20 30 BCEDLP CNC(NC[C@H]1c2ccccc2C[N@@H+]1C)=[NH+]C ZINC000864358095 589355446 /nfs/dbraw/zinc/35/54/46/589355446.db2.gz ISCVGXMQVGLOKN-LBPRGKRZSA-N 2 2 232.331 0.968 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000874468952 590114466 /nfs/dbraw/zinc/11/44/66/590114466.db2.gz WOCQVDRJZPBXPE-CYBMUJFWSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000874468952 590114468 /nfs/dbraw/zinc/11/44/68/590114468.db2.gz WOCQVDRJZPBXPE-CYBMUJFWSA-N 2 2 249.358 0.106 20 30 BCEDLP C=CC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356820 590751630 /nfs/dbraw/zinc/75/16/30/590751630.db2.gz QLXDOCMXECRITE-LBPRGKRZSA-N 2 2 239.363 0.657 20 30 BCEDLP C=CC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356820 590751633 /nfs/dbraw/zinc/75/16/33/590751633.db2.gz QLXDOCMXECRITE-LBPRGKRZSA-N 2 2 239.363 0.657 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](NC(NCC)=[NH+]CC)C1 ZINC000887324203 592481059 /nfs/dbraw/zinc/48/10/59/592481059.db2.gz VIVQGAHOPVYBLP-GFCCVEGCSA-N 2 2 236.363 0.659 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](NC(NCC)=[NH+]CC)C1 ZINC000887324203 592481061 /nfs/dbraw/zinc/48/10/61/592481061.db2.gz VIVQGAHOPVYBLP-GFCCVEGCSA-N 2 2 236.363 0.659 20 30 BCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010383364 635482787 /nfs/dbraw/zinc/48/27/87/635482787.db2.gz VIMAJRGAKHGXIA-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010383364 635482792 /nfs/dbraw/zinc/48/27/92/635482792.db2.gz VIMAJRGAKHGXIA-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010383364 635482801 /nfs/dbraw/zinc/48/28/01/635482801.db2.gz VIMAJRGAKHGXIA-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010383364 635482811 /nfs/dbraw/zinc/48/28/11/635482811.db2.gz VIMAJRGAKHGXIA-OLZOCXBDSA-N 2 2 249.358 0.294 20 30 BCEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023159553 632402297 /nfs/dbraw/zinc/40/22/97/632402297.db2.gz ZFUXNJBTMKMMGQ-TXEJJXNPSA-N 2 2 248.330 0.696 20 30 BCEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925681806 634282086 /nfs/dbraw/zinc/28/20/86/634282086.db2.gz QPXFKDKVVVCAJW-SDDRHHMPSA-N 2 2 223.320 0.647 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989488258 636860204 /nfs/dbraw/zinc/86/02/04/636860204.db2.gz QOOPAICZGUFHPR-JQWIXIFHSA-N 2 2 248.330 0.717 20 30 BCEDLP C=C(C)C[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905097011 637634610 /nfs/dbraw/zinc/63/46/10/637634610.db2.gz NTGZPDZZLFOCJG-UHFFFAOYSA-N 2 2 227.308 0.893 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCc1c[nH+]cn1C ZINC000908262291 638627667 /nfs/dbraw/zinc/62/76/67/638627667.db2.gz XQGIJUFAROMDLM-UHFFFAOYSA-N 2 2 236.319 0.544 20 30 BCEDLP C[N@@H+]1CC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545487 640262045 /nfs/dbraw/zinc/26/20/45/640262045.db2.gz FGYDGNVNFQPKGZ-TUAOUCFPSA-N 2 2 223.320 0.287 20 30 BCEDLP C[N@H+]1CC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545487 640262047 /nfs/dbraw/zinc/26/20/47/640262047.db2.gz FGYDGNVNFQPKGZ-TUAOUCFPSA-N 2 2 223.320 0.287 20 30 BCEDLP C[NH+]1CC[C@H]2C[N@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545487 640262051 /nfs/dbraw/zinc/26/20/51/640262051.db2.gz FGYDGNVNFQPKGZ-TUAOUCFPSA-N 2 2 223.320 0.287 20 30 BCEDLP C[NH+]1CC[C@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545487 640262055 /nfs/dbraw/zinc/26/20/55/640262055.db2.gz FGYDGNVNFQPKGZ-TUAOUCFPSA-N 2 2 223.320 0.287 20 30 BCEDLP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000934464072 641150644 /nfs/dbraw/zinc/15/06/44/641150644.db2.gz MCLAEJNBUSOOMQ-OLZOCXBDSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000934464072 641150649 /nfs/dbraw/zinc/15/06/49/641150649.db2.gz MCLAEJNBUSOOMQ-OLZOCXBDSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000934464072 641150653 /nfs/dbraw/zinc/15/06/53/641150653.db2.gz MCLAEJNBUSOOMQ-OLZOCXBDSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000934464072 641150656 /nfs/dbraw/zinc/15/06/56/641150656.db2.gz MCLAEJNBUSOOMQ-OLZOCXBDSA-N 2 2 242.363 0.576 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913629539 641432924 /nfs/dbraw/zinc/43/29/24/641432924.db2.gz CQFDSOIQDZSPRV-LBPRGKRZSA-N 2 2 247.342 0.048 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913629539 641432927 /nfs/dbraw/zinc/43/29/27/641432927.db2.gz CQFDSOIQDZSPRV-LBPRGKRZSA-N 2 2 247.342 0.048 20 30 BCEDLP C[NH+]=C(NCC[N@@H+]1CCCOCC1)NC1CC1 ZINC000187844330 641727388 /nfs/dbraw/zinc/72/73/88/641727388.db2.gz AZVHSGYLTHXPNH-UHFFFAOYSA-N 2 2 240.351 0.036 20 30 BCEDLP C[NH+]=C(NCC[N@H+]1CCCOCC1)NC1CC1 ZINC000187844330 641727392 /nfs/dbraw/zinc/72/73/92/641727392.db2.gz AZVHSGYLTHXPNH-UHFFFAOYSA-N 2 2 240.351 0.036 20 30 BCEDLP Cc1[nH+]c(C=NNC(N)=[NH2+])c2ccccn12 ZINC000915049822 641793933 /nfs/dbraw/zinc/79/39/33/641793933.db2.gz YOCSHHGQMRWXAJ-UHFFFAOYSA-N 2 2 216.248 0.460 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000732306426 641828891 /nfs/dbraw/zinc/82/88/91/641828891.db2.gz SQFWMHCISWBDEF-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000732306426 641828892 /nfs/dbraw/zinc/82/88/92/641828892.db2.gz SQFWMHCISWBDEF-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000732306426 641828897 /nfs/dbraw/zinc/82/88/97/641828897.db2.gz SQFWMHCISWBDEF-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000732306426 641828898 /nfs/dbraw/zinc/82/88/98/641828898.db2.gz SQFWMHCISWBDEF-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031391768 642061285 /nfs/dbraw/zinc/06/12/85/642061285.db2.gz NCLSZSCJUTYTQN-UHFFFAOYSA-N 2 2 246.314 0.015 20 30 BCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962138065 642717932 /nfs/dbraw/zinc/71/79/32/642717932.db2.gz CIEFIVAESTYDLZ-IWIIMEHWSA-N 2 2 246.314 0.185 20 30 BCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962138065 642717940 /nfs/dbraw/zinc/71/79/40/642717940.db2.gz CIEFIVAESTYDLZ-IWIIMEHWSA-N 2 2 246.314 0.185 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968537364 642812504 /nfs/dbraw/zinc/81/25/04/642812504.db2.gz SQTDUWJROJUOGS-LLVKDONJSA-N 2 2 246.314 0.166 20 30 BCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259746 642951754 /nfs/dbraw/zinc/95/17/54/642951754.db2.gz WMKBQRBEPUUIQK-LBPRGKRZSA-N 2 2 246.314 0.015 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001018948826 643015867 /nfs/dbraw/zinc/01/58/67/643015867.db2.gz NPAIZTZHDOBUEV-LBPRGKRZSA-N 2 2 246.314 0.166 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001018948826 643015874 /nfs/dbraw/zinc/01/58/74/643015874.db2.gz NPAIZTZHDOBUEV-LBPRGKRZSA-N 2 2 246.314 0.166 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970481752 643442327 /nfs/dbraw/zinc/44/23/27/643442327.db2.gz KRLAMSJORKWNIT-LLVKDONJSA-N 2 2 248.330 0.339 20 30 BCEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001057112 643802229 /nfs/dbraw/zinc/80/22/29/643802229.db2.gz UKAGKPAHFCCEGX-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361402 644385852 /nfs/dbraw/zinc/38/58/52/644385852.db2.gz QPZWFTHHZSTPCT-RWMBFGLXSA-N 2 2 224.348 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361402 644385855 /nfs/dbraw/zinc/38/58/55/644385855.db2.gz QPZWFTHHZSTPCT-RWMBFGLXSA-N 2 2 224.348 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923474894 644454631 /nfs/dbraw/zinc/45/46/31/644454631.db2.gz WWFGKWRZTZWCRE-RYUDHWBXSA-N 2 2 228.336 0.099 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923474894 644454634 /nfs/dbraw/zinc/45/46/34/644454634.db2.gz WWFGKWRZTZWCRE-RYUDHWBXSA-N 2 2 228.336 0.099 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000923558157 644502991 /nfs/dbraw/zinc/50/29/91/644502991.db2.gz WPLNDOOWHPRICX-LBPRGKRZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000923558157 644502993 /nfs/dbraw/zinc/50/29/93/644502993.db2.gz WPLNDOOWHPRICX-LBPRGKRZSA-N 2 2 249.358 0.294 20 30 BCEDLP CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000303787184 644846522 /nfs/dbraw/zinc/84/65/22/644846522.db2.gz SFHVDZOHPXYVHX-LLVKDONJSA-N 2 2 242.367 0.267 20 30 BCEDLP C#CC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000830316466 645119095 /nfs/dbraw/zinc/11/90/95/645119095.db2.gz UCJKWYLNXWNVBD-UHFFFAOYSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CCC1(O)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000880484501 645833695 /nfs/dbraw/zinc/83/36/95/645833695.db2.gz XNZGMGRNQUNPKO-UHFFFAOYSA-N 2 2 247.342 0.813 20 30 BCEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925654193 646391907 /nfs/dbraw/zinc/39/19/07/646391907.db2.gz DLZHEIACXJXGBA-XQQFMLRXSA-N 2 2 240.347 0.546 20 30 BCEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925654191 646392274 /nfs/dbraw/zinc/39/22/74/646392274.db2.gz DLZHEIACXJXGBA-AVGNSLFASA-N 2 2 240.347 0.546 20 30 BCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038094903 711840647 /nfs/dbraw/zinc/84/06/47/711840647.db2.gz IKOOGELUCGNYBW-NEPJUHHUSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038094903 711840648 /nfs/dbraw/zinc/84/06/48/711840648.db2.gz IKOOGELUCGNYBW-NEPJUHHUSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038094903 711840649 /nfs/dbraw/zinc/84/06/49/711840649.db2.gz IKOOGELUCGNYBW-NEPJUHHUSA-N 2 2 237.347 0.457 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038094903 711840650 /nfs/dbraw/zinc/84/06/50/711840650.db2.gz IKOOGELUCGNYBW-NEPJUHHUSA-N 2 2 237.347 0.457 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000384130155 710989654 /nfs/dbraw/zinc/98/96/54/710989654.db2.gz AIXDSUOYPCTWHX-VXGBXAGGSA-N 2 2 212.337 0.691 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000384130155 710989656 /nfs/dbraw/zinc/98/96/56/710989656.db2.gz AIXDSUOYPCTWHX-VXGBXAGGSA-N 2 2 212.337 0.691 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnn1C ZINC000392778029 711151725 /nfs/dbraw/zinc/15/17/25/711151725.db2.gz OBLXVHVZRFSXBF-UHFFFAOYSA-N 2 2 220.320 0.465 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnn1C ZINC000392778029 711151727 /nfs/dbraw/zinc/15/17/27/711151727.db2.gz OBLXVHVZRFSXBF-UHFFFAOYSA-N 2 2 220.320 0.465 20 30 BCEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033705401 712014427 /nfs/dbraw/zinc/01/44/27/712014427.db2.gz GRVXINWHQKHBPY-LBPRGKRZSA-N 2 2 248.330 0.602 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601394 136222412 /nfs/dbraw/zinc/22/24/12/136222412.db2.gz NKYNCBNACWRRLN-VXGBXAGGSA-N 2 2 239.363 0.609 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601394 136222413 /nfs/dbraw/zinc/22/24/13/136222413.db2.gz NKYNCBNACWRRLN-VXGBXAGGSA-N 2 2 239.363 0.609 20 30 BCEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000602545120 349588608 /nfs/dbraw/zinc/58/86/08/349588608.db2.gz MVBJOXYWXDWJKK-OLZOCXBDSA-N 2 2 238.379 0.762 20 30 BCEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000602545120 349588611 /nfs/dbraw/zinc/58/86/11/349588611.db2.gz MVBJOXYWXDWJKK-OLZOCXBDSA-N 2 2 238.379 0.762 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000320627837 323010982 /nfs/dbraw/zinc/01/09/82/323010982.db2.gz JRTAYJYXGZXEEJ-JHJVBQTASA-N 2 2 242.363 0.670 20 30 BCEDLP Cc1cc(N[C@@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000333634759 398317541 /nfs/dbraw/zinc/31/75/41/398317541.db2.gz WHLJYAZZLBRPKN-LLVKDONJSA-N 2 2 216.288 0.848 20 30 BCEDLP Cc1cc(N[C@H]2CCC[NH2+]C2)c(C#N)c[nH+]1 ZINC000333634764 398317562 /nfs/dbraw/zinc/31/75/62/398317562.db2.gz WHLJYAZZLBRPKN-NSHDSACASA-N 2 2 216.288 0.848 20 30 BCEDLP CC#CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000339755005 136280857 /nfs/dbraw/zinc/28/08/57/136280857.db2.gz CGZNWZYUOBXCRT-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP CC#CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000339755005 136280858 /nfs/dbraw/zinc/28/08/58/136280858.db2.gz CGZNWZYUOBXCRT-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP CC#CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000339755005 136280859 /nfs/dbraw/zinc/28/08/59/136280859.db2.gz CGZNWZYUOBXCRT-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP CC#CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000339755005 136280860 /nfs/dbraw/zinc/28/08/60/136280860.db2.gz CGZNWZYUOBXCRT-LBPRGKRZSA-N 2 2 210.321 0.397 20 30 BCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721263 344363047 /nfs/dbraw/zinc/36/30/47/344363047.db2.gz KPKPKZGJUHISJS-VXGBXAGGSA-N 2 2 237.347 0.725 20 30 BCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721263 344363049 /nfs/dbraw/zinc/36/30/49/344363049.db2.gz KPKPKZGJUHISJS-VXGBXAGGSA-N 2 2 237.347 0.725 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000570836020 323072125 /nfs/dbraw/zinc/07/21/25/323072125.db2.gz APHQVMOFCRTAQC-WDEREUQCSA-N 2 2 212.337 0.996 20 30 BCEDLP CC#CC[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000641768107 362705487 /nfs/dbraw/zinc/70/54/87/362705487.db2.gz WJQCKNPDQZYGPD-NSHDSACASA-N 2 2 233.315 0.693 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000582071013 347172369 /nfs/dbraw/zinc/17/23/69/347172369.db2.gz DXDPAYMQMHECIX-NSHDSACASA-N 2 2 238.335 0.042 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336760259 347260368 /nfs/dbraw/zinc/26/03/68/347260368.db2.gz MCJQESIHSLUBKM-SRVKXCTJSA-N 2 2 212.337 0.711 20 30 BCEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336760259 347260371 /nfs/dbraw/zinc/26/03/71/347260371.db2.gz MCJQESIHSLUBKM-SRVKXCTJSA-N 2 2 212.337 0.711 20 30 BCEDLP C#CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364548418 347461889 /nfs/dbraw/zinc/46/18/89/347461889.db2.gz VIWRLAMJZGMDER-CYBMUJFWSA-N 2 2 221.348 0.331 20 30 BCEDLP C#CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364548418 347461908 /nfs/dbraw/zinc/46/19/08/347461908.db2.gz VIWRLAMJZGMDER-CYBMUJFWSA-N 2 2 221.348 0.331 20 30 BCEDLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150799 347742056 /nfs/dbraw/zinc/74/20/56/347742056.db2.gz GRKANOUMADXJQS-LBPRGKRZSA-N 2 2 234.303 0.542 20 30 BCEDLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150799 347742058 /nfs/dbraw/zinc/74/20/58/347742058.db2.gz GRKANOUMADXJQS-LBPRGKRZSA-N 2 2 234.303 0.542 20 30 BCEDLP C[N@H+](CC[NH3+])CCc1ccc(C#N)cc1 ZINC000595890527 348390231 /nfs/dbraw/zinc/39/02/31/348390231.db2.gz DTAXUVKYRZYLER-UHFFFAOYSA-N 2 2 203.289 0.991 20 30 BCEDLP C[N@@H+](CC[NH3+])CCc1ccc(C#N)cc1 ZINC000595890527 348390234 /nfs/dbraw/zinc/39/02/34/348390234.db2.gz DTAXUVKYRZYLER-UHFFFAOYSA-N 2 2 203.289 0.991 20 30 BCEDLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595904658 348396023 /nfs/dbraw/zinc/39/60/23/348396023.db2.gz KCDYXPLYNVAAMY-GHMZBOCLSA-N 2 2 211.309 0.192 20 30 BCEDLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595904658 348396025 /nfs/dbraw/zinc/39/60/25/348396025.db2.gz KCDYXPLYNVAAMY-GHMZBOCLSA-N 2 2 211.309 0.192 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480379 323194275 /nfs/dbraw/zinc/19/42/75/323194275.db2.gz LJVJBSWKBWTVMR-NWDGAFQWSA-N 2 2 237.347 0.008 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480379 323194276 /nfs/dbraw/zinc/19/42/76/323194276.db2.gz LJVJBSWKBWTVMR-NWDGAFQWSA-N 2 2 237.347 0.008 20 30 BCEDLP C=C(C)COCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383675347 349295020 /nfs/dbraw/zinc/29/50/20/349295020.db2.gz PEUMCBAHSCMWOD-CYBMUJFWSA-N 2 2 242.363 0.624 20 30 BCEDLP C=C(C)COCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383675347 349295024 /nfs/dbraw/zinc/29/50/24/349295024.db2.gz PEUMCBAHSCMWOD-CYBMUJFWSA-N 2 2 242.363 0.624 20 30 BCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000309288040 350255883 /nfs/dbraw/zinc/25/58/83/350255883.db2.gz VCRUOAGKUVSHMA-LBPRGKRZSA-N 2 2 225.336 0.535 20 30 BCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000309288040 350255885 /nfs/dbraw/zinc/25/58/85/350255885.db2.gz VCRUOAGKUVSHMA-LBPRGKRZSA-N 2 2 225.336 0.535 20 30 BCEDLP C=CC[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000638471336 352281777 /nfs/dbraw/zinc/28/17/77/352281777.db2.gz COKPLJBSVUCBGT-RYUDHWBXSA-N 2 2 239.363 0.690 20 30 BCEDLP C=CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000638471334 352281862 /nfs/dbraw/zinc/28/18/62/352281862.db2.gz COKPLJBSVUCBGT-NEPJUHHUSA-N 2 2 239.363 0.690 20 30 BCEDLP N#CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330842196 353192684 /nfs/dbraw/zinc/19/26/84/353192684.db2.gz SYHCUSRFJLHVPN-UHFFFAOYSA-N 2 2 247.302 0.229 20 30 BCEDLP CNC(=O)N[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330951085 353203075 /nfs/dbraw/zinc/20/30/75/353203075.db2.gz PLEFJGORIZGZDB-SNVBAGLBSA-N 2 2 237.307 0.091 20 30 BCEDLP CNC(=O)N[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330951085 353203077 /nfs/dbraw/zinc/20/30/77/353203077.db2.gz PLEFJGORIZGZDB-SNVBAGLBSA-N 2 2 237.307 0.091 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000320627839 353738033 /nfs/dbraw/zinc/73/80/33/353738033.db2.gz JRTAYJYXGZXEEJ-UPJWGTAASA-N 2 2 242.363 0.670 20 30 BCEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCCC1 ZINC000261679919 535261922 /nfs/dbraw/zinc/26/19/22/535261922.db2.gz HQGJIBZQJNXKIX-UHFFFAOYSA-N 2 2 224.352 0.753 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364914 192223744 /nfs/dbraw/zinc/22/37/44/192223744.db2.gz PNQJLNCUSKQATP-QWRGUYRKSA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420365849 192224020 /nfs/dbraw/zinc/22/40/20/192224020.db2.gz SUKOLTIWVPQLFK-GFCCVEGCSA-N 2 2 239.363 0.786 20 30 BCEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767409 356696587 /nfs/dbraw/zinc/69/65/87/356696587.db2.gz QYZDYHGDUWILIG-STQMWFEESA-N 2 2 242.363 0.312 20 30 BCEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767409 356696588 /nfs/dbraw/zinc/69/65/88/356696588.db2.gz QYZDYHGDUWILIG-STQMWFEESA-N 2 2 242.363 0.312 20 30 BCEDLP C=C(C)C[N@H+](CC)C[C@@H](O)C[NH+](C)CCOC ZINC000582674942 357361511 /nfs/dbraw/zinc/36/15/11/357361511.db2.gz ZWFCVFIPXGBEAW-ZDUSSCGKSA-N 2 2 244.379 0.824 20 30 BCEDLP C=C(C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)CCOC ZINC000582674942 357361515 /nfs/dbraw/zinc/36/15/15/357361515.db2.gz ZWFCVFIPXGBEAW-ZDUSSCGKSA-N 2 2 244.379 0.824 20 30 BCEDLP C=C(C)C[NH+](CC)C[C@@H](O)C[N@H+](C)CCOC ZINC000582674942 357361519 /nfs/dbraw/zinc/36/15/19/357361519.db2.gz ZWFCVFIPXGBEAW-ZDUSSCGKSA-N 2 2 244.379 0.824 20 30 BCEDLP C=C(C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)CCOC ZINC000582674942 357361524 /nfs/dbraw/zinc/36/15/24/357361524.db2.gz ZWFCVFIPXGBEAW-ZDUSSCGKSA-N 2 2 244.379 0.824 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858318 359091168 /nfs/dbraw/zinc/09/11/68/359091168.db2.gz HDOUETOBVWKKSB-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858318 359091170 /nfs/dbraw/zinc/09/11/70/359091170.db2.gz HDOUETOBVWKKSB-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858318 359091171 /nfs/dbraw/zinc/09/11/71/359091171.db2.gz HDOUETOBVWKKSB-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858318 359091174 /nfs/dbraw/zinc/09/11/74/359091174.db2.gz HDOUETOBVWKKSB-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249038713 359629165 /nfs/dbraw/zinc/62/91/65/359629165.db2.gz UAYUGOKXBIIAJH-CHWSQXEVSA-N 2 2 239.363 0.973 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249038713 359629171 /nfs/dbraw/zinc/62/91/71/359629171.db2.gz UAYUGOKXBIIAJH-CHWSQXEVSA-N 2 2 239.363 0.973 20 30 BCEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630606279 364337463 /nfs/dbraw/zinc/33/74/63/364337463.db2.gz VXLUTZPFLHOLJQ-NSHDSACASA-N 2 2 233.319 0.143 20 30 BCEDLP C[N@@H+]1CCN(Cc2ccc(C#N)o2)[C@@H](C[NH3+])C1 ZINC000600769886 369563973 /nfs/dbraw/zinc/56/39/73/369563973.db2.gz UIKUGSMBEJLLRA-JTQLQIEISA-N 2 2 234.303 0.226 20 30 BCEDLP C[N@H+]1CCN(Cc2ccc(C#N)o2)[C@@H](C[NH3+])C1 ZINC000600769886 369563975 /nfs/dbraw/zinc/56/39/75/369563975.db2.gz UIKUGSMBEJLLRA-JTQLQIEISA-N 2 2 234.303 0.226 20 30 BCEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602611349 369827423 /nfs/dbraw/zinc/82/74/23/369827423.db2.gz KJWLFGVEOOWXRG-CYBMUJFWSA-N 2 2 246.314 0.109 20 30 BCEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602611349 369827425 /nfs/dbraw/zinc/82/74/25/369827425.db2.gz KJWLFGVEOOWXRG-CYBMUJFWSA-N 2 2 246.314 0.109 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])nn1 ZINC000424378668 206039812 /nfs/dbraw/zinc/03/98/12/206039812.db2.gz OANBWGLJILULJV-VHSXEESVSA-N 2 2 223.324 0.680 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309734908 384571757 /nfs/dbraw/zinc/57/17/57/384571757.db2.gz CDDXWAWPXVLPRO-NQBHXWOUSA-N 2 2 224.348 0.996 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309734908 384571766 /nfs/dbraw/zinc/57/17/66/384571766.db2.gz CDDXWAWPXVLPRO-NQBHXWOUSA-N 2 2 224.348 0.996 20 30 BCEDLP C#CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366627450 533150196 /nfs/dbraw/zinc/15/01/96/533150196.db2.gz KIVNSJVHNHULMH-GFCCVEGCSA-N 2 2 235.331 0.034 20 30 BCEDLP C#CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366627450 533150201 /nfs/dbraw/zinc/15/02/01/533150201.db2.gz KIVNSJVHNHULMH-GFCCVEGCSA-N 2 2 235.331 0.034 20 30 BCEDLP C[NH2+]C[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000398987363 386322541 /nfs/dbraw/zinc/32/25/41/386322541.db2.gz IEKXWZGRZFUPRG-VIFPVBQESA-N 2 2 218.304 0.951 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123430974 386553554 /nfs/dbraw/zinc/55/35/54/386553554.db2.gz KENOQZZDSPQHQN-VXGBXAGGSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123430974 386553558 /nfs/dbraw/zinc/55/35/58/386553558.db2.gz KENOQZZDSPQHQN-VXGBXAGGSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123430974 386553562 /nfs/dbraw/zinc/55/35/62/386553562.db2.gz KENOQZZDSPQHQN-VXGBXAGGSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123430974 386553567 /nfs/dbraw/zinc/55/35/67/386553567.db2.gz KENOQZZDSPQHQN-VXGBXAGGSA-N 2 2 239.363 0.703 20 30 BCEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000228724272 386606117 /nfs/dbraw/zinc/60/61/17/386606117.db2.gz ULEUNSFZKCTLJH-AWEZNQCLSA-N 2 2 247.342 0.960 20 30 BCEDLP C=C[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425383407 387033572 /nfs/dbraw/zinc/03/35/72/387033572.db2.gz PIDWNCRQPOQJMM-VIFPVBQESA-N 2 2 224.308 0.123 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334995893 387088407 /nfs/dbraw/zinc/08/84/07/387088407.db2.gz OBPCUCLJTHZRLG-OCCSQVGLSA-N 2 2 249.358 0.459 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334995893 387088409 /nfs/dbraw/zinc/08/84/09/387088409.db2.gz OBPCUCLJTHZRLG-OCCSQVGLSA-N 2 2 249.358 0.459 20 30 BCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334995894 387088758 /nfs/dbraw/zinc/08/87/58/387088758.db2.gz OBPCUCLJTHZRLG-TZMCWYRMSA-N 2 2 249.358 0.459 20 30 BCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334995894 387088759 /nfs/dbraw/zinc/08/87/59/387088759.db2.gz OBPCUCLJTHZRLG-TZMCWYRMSA-N 2 2 249.358 0.459 20 30 BCEDLP Cc1cc(NCC[NH+](C)C)c(C#N)c[nH+]1 ZINC000399725128 387138330 /nfs/dbraw/zinc/13/83/30/387138330.db2.gz JZZVADREMOGYHH-UHFFFAOYSA-N 2 2 204.277 0.657 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000453353347 388056853 /nfs/dbraw/zinc/05/68/53/388056853.db2.gz LIMFPFSWGSMGEH-IJLUTSLNSA-N 2 2 212.337 0.853 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000453353347 388056857 /nfs/dbraw/zinc/05/68/57/388056857.db2.gz LIMFPFSWGSMGEH-IJLUTSLNSA-N 2 2 212.337 0.853 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000491758182 388318327 /nfs/dbraw/zinc/31/83/27/388318327.db2.gz HMHLYQMROBCQRP-PWSUYJOCSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000491758182 388318328 /nfs/dbraw/zinc/31/83/28/388318328.db2.gz HMHLYQMROBCQRP-PWSUYJOCSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491758182 388318329 /nfs/dbraw/zinc/31/83/29/388318329.db2.gz HMHLYQMROBCQRP-PWSUYJOCSA-N 2 2 210.321 0.395 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000491758182 388318330 /nfs/dbraw/zinc/31/83/30/388318330.db2.gz HMHLYQMROBCQRP-PWSUYJOCSA-N 2 2 210.321 0.395 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)C[C@@H]2C)CC1 ZINC000491039370 388265840 /nfs/dbraw/zinc/26/58/40/388265840.db2.gz OERIEDLEMNTSBV-STQMWFEESA-N 2 2 249.358 0.247 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000491127309 388272207 /nfs/dbraw/zinc/27/22/07/388272207.db2.gz WEIHPIILEJCMFQ-VXGBXAGGSA-N 2 2 249.358 0.341 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000491127309 388272208 /nfs/dbraw/zinc/27/22/08/388272208.db2.gz WEIHPIILEJCMFQ-VXGBXAGGSA-N 2 2 249.358 0.341 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@H]2C)CC1 ZINC000491210008 388277996 /nfs/dbraw/zinc/27/79/96/388277996.db2.gz OWILSHKRGOCKLH-STQMWFEESA-N 2 2 249.358 0.104 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)CC1 ZINC000491210008 388277998 /nfs/dbraw/zinc/27/79/98/388277998.db2.gz OWILSHKRGOCKLH-STQMWFEESA-N 2 2 249.358 0.104 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366560764 135093350 /nfs/dbraw/zinc/09/33/50/135093350.db2.gz RIRWLLSTTZDLNG-ZDUSSCGKSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366560764 135093353 /nfs/dbraw/zinc/09/33/53/135093353.db2.gz RIRWLLSTTZDLNG-ZDUSSCGKSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366560764 135093355 /nfs/dbraw/zinc/09/33/55/135093355.db2.gz RIRWLLSTTZDLNG-ZDUSSCGKSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366560764 135093358 /nfs/dbraw/zinc/09/33/58/135093358.db2.gz RIRWLLSTTZDLNG-ZDUSSCGKSA-N 2 2 237.347 0.316 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCCc2cn3ccccc3[nH+]2)N1 ZINC000262671387 135121161 /nfs/dbraw/zinc/12/11/61/135121161.db2.gz RFICYYCGPUILTM-SNVBAGLBSA-N 2 2 243.314 0.814 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCC1CC1 ZINC000262838176 135122952 /nfs/dbraw/zinc/12/29/52/135122952.db2.gz RVGQIMSKNMEIBD-UHFFFAOYSA-N 2 2 221.308 0.458 20 30 BCEDLP C=C(C)CNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264107224 135133216 /nfs/dbraw/zinc/13/32/16/135133216.db2.gz NZKQXWLZZNTZOF-UHFFFAOYSA-N 2 2 221.308 0.754 20 30 BCEDLP COCCNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269998877 135169256 /nfs/dbraw/zinc/16/92/56/135169256.db2.gz XMBMBAWUMDFFIH-UHFFFAOYSA-N 2 2 236.319 0.483 20 30 BCEDLP C[NH+]=C(NCc1ccco1)NCc1c[nH+]cn1C ZINC000262403274 135295544 /nfs/dbraw/zinc/29/55/44/135295544.db2.gz VMKKUTSSXGNTST-UHFFFAOYSA-N 2 2 247.302 0.878 20 30 BCEDLP [NH2+]=C(NCC[NH+]1CCC1)N1CCCCCC1 ZINC000262758549 135317233 /nfs/dbraw/zinc/31/72/33/135317233.db2.gz CJIZVQGLUIUHGL-UHFFFAOYSA-N 2 2 224.352 0.883 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCn2ccnc21 ZINC000294136461 135378180 /nfs/dbraw/zinc/37/81/80/135378180.db2.gz OXSXBRJEKGRNEM-GFCCVEGCSA-N 2 2 232.331 0.873 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCn2ccnc21 ZINC000294136461 135378182 /nfs/dbraw/zinc/37/81/82/135378182.db2.gz OXSXBRJEKGRNEM-GFCCVEGCSA-N 2 2 232.331 0.873 20 30 BCEDLP C=CCN1CC[C@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000335384165 136088341 /nfs/dbraw/zinc/08/83/41/136088341.db2.gz CVAPVWLHRMHYEF-NSHDSACASA-N 2 2 223.320 0.196 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000036754052 166382818 /nfs/dbraw/zinc/38/28/18/166382818.db2.gz OEPFUSAOSXRKGO-SECBINFHSA-N 2 2 211.309 0.100 20 30 BCEDLP CC#CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441133 411259836 /nfs/dbraw/zinc/25/98/36/411259836.db2.gz TYKFVFFWAXVDRE-UHFFFAOYSA-N 2 2 227.271 0.775 20 30 BCEDLP COCC#CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644731 411452846 /nfs/dbraw/zinc/45/28/46/411452846.db2.gz IWIKACGLGMGGKS-UHFFFAOYSA-N 2 2 234.303 0.182 20 30 BCEDLP C=CC[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000662731489 412287089 /nfs/dbraw/zinc/28/70/89/412287089.db2.gz DXHCXRUAKOGJFU-GFCCVEGCSA-N 2 2 234.303 0.724 20 30 BCEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000395740208 323240270 /nfs/dbraw/zinc/24/02/70/323240270.db2.gz UIMKZTXJVKAYJQ-LLVKDONJSA-N 2 2 237.347 0.198 20 30 BCEDLP C=CCN1CC[C@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000564656810 325801241 /nfs/dbraw/zinc/80/12/41/325801241.db2.gz KELKTSUPEKUENH-JTQLQIEISA-N 2 2 223.320 0.244 20 30 BCEDLP CCn1c[nH+]cc1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895157005 583607830 /nfs/dbraw/zinc/60/78/30/583607830.db2.gz KQEDDNOFIJCQPV-JTQLQIEISA-N 2 2 238.291 0.373 20 30 BCEDLP CNC(NCc1c(C)[nH+]c2ccccn21)=[NH+]C ZINC000899263855 584188204 /nfs/dbraw/zinc/18/82/04/584188204.db2.gz RULRDYQSQXNCMH-UHFFFAOYSA-N 2 2 231.303 0.938 20 30 BCEDLP C=CC[NH+]1CCC(NC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900597948 584330453 /nfs/dbraw/zinc/33/04/53/584330453.db2.gz CVZLRPSALQIYSQ-UHFFFAOYSA-N 2 2 248.330 0.719 20 30 BCEDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796933 584674484 /nfs/dbraw/zinc/67/44/84/584674484.db2.gz WXCSPEOFVATKFB-CMPLNLGQSA-N 2 2 248.330 0.526 20 30 BCEDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796934 584674851 /nfs/dbraw/zinc/67/48/51/584674851.db2.gz WXCSPEOFVATKFB-JQWIXIFHSA-N 2 2 248.330 0.526 20 30 BCEDLP C[C@]1(C#N)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903825044 584804494 /nfs/dbraw/zinc/80/44/94/584804494.db2.gz XJWWTEOJZVAQMU-RYUDHWBXSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@]1(C#N)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903825044 584804495 /nfs/dbraw/zinc/80/44/95/584804495.db2.gz XJWWTEOJZVAQMU-RYUDHWBXSA-N 2 2 223.320 0.600 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1=O ZINC000903861004 584812693 /nfs/dbraw/zinc/81/26/93/584812693.db2.gz VHESNFLNVZBLIN-SGMGOOAPSA-N 2 2 249.358 0.587 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1=O ZINC000903861004 584812696 /nfs/dbraw/zinc/81/26/96/584812696.db2.gz VHESNFLNVZBLIN-SGMGOOAPSA-N 2 2 249.358 0.587 20 30 BCEDLP C#C[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000769961856 585567582 /nfs/dbraw/zinc/56/75/82/585567582.db2.gz OENTUYRNSWAZJM-RYUDHWBXSA-N 2 2 210.321 0.397 20 30 BCEDLP C#C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000769961856 585567583 /nfs/dbraw/zinc/56/75/83/585567583.db2.gz OENTUYRNSWAZJM-RYUDHWBXSA-N 2 2 210.321 0.397 20 30 BCEDLP C[NH+]1CCN(N=Cc2cccc3[nH+]ccn32)CC1 ZINC000771098020 585590304 /nfs/dbraw/zinc/59/03/04/585590304.db2.gz LQXRQNQLWDFWCM-UHFFFAOYSA-N 2 2 243.314 0.916 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]N1CCN(C)CC1 ZINC000776177219 585691777 /nfs/dbraw/zinc/69/17/77/585691777.db2.gz KTBCJTPMPKZZMG-UHFFFAOYSA-N 2 2 247.346 0.729 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=NN1CC[NH+](C)CC1 ZINC000776177219 585691778 /nfs/dbraw/zinc/69/17/78/585691778.db2.gz KTBCJTPMPKZZMG-UHFFFAOYSA-N 2 2 247.346 0.729 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000779339346 585751424 /nfs/dbraw/zinc/75/14/24/585751424.db2.gz BQELDIHXXHCJMN-NSHDSACASA-N 2 2 212.337 0.997 20 30 BCEDLP Cn1c[nH+]cc1C=NNc1cc[nH+]cc1 ZINC000779809094 585765547 /nfs/dbraw/zinc/76/55/47/585765547.db2.gz LEXFNVWXOUCXKF-UHFFFAOYSA-N 2 2 201.233 0.683 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@@H](O)C[NH+]1CCCC1 ZINC000792406659 586000269 /nfs/dbraw/zinc/00/02/69/586000269.db2.gz JWXGFQDYUTXYFI-CYBMUJFWSA-N 2 2 242.363 0.578 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@@H](O)C[NH+]1CCCC1 ZINC000792406659 586000270 /nfs/dbraw/zinc/00/02/70/586000270.db2.gz JWXGFQDYUTXYFI-CYBMUJFWSA-N 2 2 242.363 0.578 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000793513640 586021278 /nfs/dbraw/zinc/02/12/78/586021278.db2.gz CCCLGDSINOIRCZ-UHFFFAOYSA-N 2 2 234.303 0.343 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000793565890 586023296 /nfs/dbraw/zinc/02/32/96/586023296.db2.gz GDEQUDNPNJGCAI-JTQLQIEISA-N 2 2 248.330 0.501 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000793565890 586023297 /nfs/dbraw/zinc/02/32/97/586023297.db2.gz GDEQUDNPNJGCAI-JTQLQIEISA-N 2 2 248.330 0.501 20 30 BCEDLP Cc1cc(N2CCC([NH3+])(CO)CC2)c(C#N)c[nH+]1 ZINC000819918574 587002242 /nfs/dbraw/zinc/00/22/42/587002242.db2.gz VZJHYPKLLFLMTA-UHFFFAOYSA-N 2 2 246.314 0.552 20 30 BCEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1C)C1CCOCC1 ZINC000827571223 587389467 /nfs/dbraw/zinc/38/94/67/587389467.db2.gz XBLVLHUOEKUZHS-ZDUSSCGKSA-N 2 2 233.315 0.938 20 30 BCEDLP C[C@@H]1C[N@@H+](C2CC2)CC1N=NC1=[NH+]CCN1 ZINC000841661502 587969992 /nfs/dbraw/zinc/96/99/92/587969992.db2.gz PWFAUKFPCWLHEG-MRVPVSSYSA-N 2 2 221.308 0.005 20 30 BCEDLP C[C@@H]1C[N@H+](C2CC2)CC1N=NC1=[NH+]CCN1 ZINC000841661502 587969993 /nfs/dbraw/zinc/96/99/93/587969993.db2.gz PWFAUKFPCWLHEG-MRVPVSSYSA-N 2 2 221.308 0.005 20 30 BCEDLP CCN(CCO)[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000842537262 588036203 /nfs/dbraw/zinc/03/62/03/588036203.db2.gz TVNAFZDUQMIFAM-UHFFFAOYSA-N 2 2 236.319 0.796 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846247606 588262405 /nfs/dbraw/zinc/26/24/05/588262405.db2.gz UGGJYAKOSYRCGF-UHFFFAOYSA-N 2 2 236.319 0.879 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000846996308 588300997 /nfs/dbraw/zinc/30/09/97/588300997.db2.gz WGQAYNNVMDLJLX-NEPJUHHUSA-N 2 2 225.336 0.725 20 30 BCEDLP C[C@H]1C[NH+]=C(NCC[NH+]2Cc3ccccc3C2)N1 ZINC000848996795 588429621 /nfs/dbraw/zinc/42/96/21/588429621.db2.gz DCGJNTAOIVSYSG-NSHDSACASA-N 2 2 244.342 0.940 20 30 BCEDLP CNC(NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000849050158 588451820 /nfs/dbraw/zinc/45/18/20/588451820.db2.gz YLPXXKZOSRMTEK-MXWKQRLJSA-N 2 2 242.367 0.279 20 30 BCEDLP CNC(NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000849050158 588451821 /nfs/dbraw/zinc/45/18/21/588451821.db2.gz YLPXXKZOSRMTEK-MXWKQRLJSA-N 2 2 242.367 0.279 20 30 BCEDLP C#CCOCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000851861252 588635910 /nfs/dbraw/zinc/63/59/10/588635910.db2.gz OCUTULACDZAGIP-UHFFFAOYSA-N 2 2 248.330 0.192 20 30 BCEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000851938169 588646320 /nfs/dbraw/zinc/64/63/20/588646320.db2.gz LASULUDEBXGINV-CYBMUJFWSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000851938169 588646321 /nfs/dbraw/zinc/64/63/21/588646321.db2.gz LASULUDEBXGINV-CYBMUJFWSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000851938169 588646322 /nfs/dbraw/zinc/64/63/22/588646322.db2.gz LASULUDEBXGINV-CYBMUJFWSA-N 2 2 224.348 0.785 20 30 BCEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000851938169 588646323 /nfs/dbraw/zinc/64/63/23/588646323.db2.gz LASULUDEBXGINV-CYBMUJFWSA-N 2 2 224.348 0.785 20 30 BCEDLP Cc1[nH+]c[nH]c1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852873041 588709883 /nfs/dbraw/zinc/70/98/83/588709883.db2.gz VBRDDNNDEMMNBU-UHFFFAOYSA-N 2 2 246.314 0.337 20 30 BCEDLP CCC(=[NH+]NC1=[NH+]CCN1)c1ccc(N)cc1 ZINC000863120203 589260266 /nfs/dbraw/zinc/26/02/66/589260266.db2.gz MQVQMKBEXQMOKL-UHFFFAOYSA-N 2 2 231.303 0.932 20 30 BCEDLP Cc1cc(N[NH2+]C2=CC(=O)N3CCC[C@H]23)cc[nH+]1 ZINC000863159715 589264576 /nfs/dbraw/zinc/26/45/76/589264576.db2.gz YZNNBXCCLORKPA-GFCCVEGCSA-N 2 2 244.298 0.975 20 30 BCEDLP CNC(NC[C@@H]1c2ccccc2C[N@H+]1C)=[NH+]C ZINC000864358094 589355380 /nfs/dbraw/zinc/35/53/80/589355380.db2.gz ISCVGXMQVGLOKN-GFCCVEGCSA-N 2 2 232.331 0.968 20 30 BCEDLP CNC(NC[C@@H]1c2ccccc2C[N@@H+]1C)=[NH+]C ZINC000864358094 589355382 /nfs/dbraw/zinc/35/53/82/589355382.db2.gz ISCVGXMQVGLOKN-GFCCVEGCSA-N 2 2 232.331 0.968 20 30 BCEDLP C[C@@H]1C(=NN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000872325299 589913369 /nfs/dbraw/zinc/91/33/69/589913369.db2.gz LILJIDOOEZREJL-SNVBAGLBSA-N 2 2 210.325 0.314 20 30 BCEDLP C[C@@H]1C(=NN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000872325299 589913371 /nfs/dbraw/zinc/91/33/71/589913371.db2.gz LILJIDOOEZREJL-SNVBAGLBSA-N 2 2 210.325 0.314 20 30 BCEDLP COCCO[NH+]=Cc1c(C)cc[nH+]c1N ZINC000872355954 589917553 /nfs/dbraw/zinc/91/75/53/589917553.db2.gz URMMKWBYBMUFEE-UHFFFAOYSA-N 2 2 209.249 0.969 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000876706799 590232172 /nfs/dbraw/zinc/23/21/72/590232172.db2.gz HDBOIFUISJCYND-JTQLQIEISA-N 2 2 245.754 0.620 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000876763777 590239950 /nfs/dbraw/zinc/23/99/50/590239950.db2.gz HMMQBBSIRAXVJP-ZETCQYMHSA-N 2 2 228.683 0.496 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000876956898 590260761 /nfs/dbraw/zinc/26/07/61/590260761.db2.gz RHNGGXNURLPHST-VIFPVBQESA-N 2 2 242.710 0.838 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000876956898 590260762 /nfs/dbraw/zinc/26/07/62/590260762.db2.gz RHNGGXNURLPHST-VIFPVBQESA-N 2 2 242.710 0.838 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579286 590818160 /nfs/dbraw/zinc/81/81/60/590818160.db2.gz ZAQHLTQAQZOHEL-STQMWFEESA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579286 590818162 /nfs/dbraw/zinc/81/81/62/590818162.db2.gz ZAQHLTQAQZOHEL-STQMWFEESA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579286 590818164 /nfs/dbraw/zinc/81/81/64/590818164.db2.gz ZAQHLTQAQZOHEL-STQMWFEESA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579286 590818167 /nfs/dbraw/zinc/81/81/67/590818167.db2.gz ZAQHLTQAQZOHEL-STQMWFEESA-N 2 2 222.332 0.662 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880137766 590940743 /nfs/dbraw/zinc/94/07/43/590940743.db2.gz KNBMGMOWSNAQMX-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880137766 590940745 /nfs/dbraw/zinc/94/07/45/590940745.db2.gz KNBMGMOWSNAQMX-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880137766 590940748 /nfs/dbraw/zinc/94/07/48/590940748.db2.gz KNBMGMOWSNAQMX-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880137766 590940749 /nfs/dbraw/zinc/94/07/49/590940749.db2.gz KNBMGMOWSNAQMX-CHWSQXEVSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CCC1(O)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000880481113 591055224 /nfs/dbraw/zinc/05/52/24/591055224.db2.gz MHPPJZXQXGJRFY-UHFFFAOYSA-N 2 2 233.315 0.733 20 30 BCEDLP C#CC[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000883123676 591543851 /nfs/dbraw/zinc/54/38/51/591543851.db2.gz HFQZPETVBWQUTO-LLVKDONJSA-N 2 2 229.283 0.808 20 30 BCEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009710690 634527934 /nfs/dbraw/zinc/52/79/34/634527934.db2.gz SIMNAKYGTSLSPC-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009710690 634527940 /nfs/dbraw/zinc/52/79/40/634527940.db2.gz SIMNAKYGTSLSPC-GFCCVEGCSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009710709 634528158 /nfs/dbraw/zinc/52/81/58/634528158.db2.gz SIMNAKYGTSLSPC-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009710709 634528171 /nfs/dbraw/zinc/52/81/71/634528171.db2.gz SIMNAKYGTSLSPC-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036763 635481305 /nfs/dbraw/zinc/48/13/05/635481305.db2.gz VFPWPJWFMQDHJM-UHFFFAOYSA-N 2 2 248.330 0.673 20 30 BCEDLP C=CC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036763 635481310 /nfs/dbraw/zinc/48/13/10/635481310.db2.gz VFPWPJWFMQDHJM-UHFFFAOYSA-N 2 2 248.330 0.673 20 30 BCEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429801 632029367 /nfs/dbraw/zinc/02/93/67/632029367.db2.gz QKELSJRSDDCKLO-GFCCVEGCSA-N 2 2 248.330 0.671 20 30 BCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429801 632029372 /nfs/dbraw/zinc/02/93/72/632029372.db2.gz QKELSJRSDDCKLO-GFCCVEGCSA-N 2 2 248.330 0.671 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889331 632033033 /nfs/dbraw/zinc/03/30/33/632033033.db2.gz CHGVABIIMAIJDX-AOOOYVTPSA-N 2 2 234.303 0.375 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)nn1C ZINC000328170300 633740096 /nfs/dbraw/zinc/74/00/96/633740096.db2.gz KJKNHRRGXXNTKB-UHFFFAOYSA-N 2 2 234.347 0.773 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)nn1C ZINC000328170300 633740107 /nfs/dbraw/zinc/74/01/07/633740107.db2.gz KJKNHRRGXXNTKB-UHFFFAOYSA-N 2 2 234.347 0.773 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987062236 636619777 /nfs/dbraw/zinc/61/97/77/636619777.db2.gz BDKFPUXLQDKSOG-CMPLNLGQSA-N 2 2 246.314 0.164 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987262027 636643578 /nfs/dbraw/zinc/64/35/78/636643578.db2.gz SWXCTBIRURHFIY-WDEREUQCSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987262974 636644949 /nfs/dbraw/zinc/64/49/49/636644949.db2.gz XBWCWBZXSGQEBD-WDEREUQCSA-N 2 2 248.330 0.717 20 30 BCEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989608066 636867116 /nfs/dbraw/zinc/86/71/16/636867116.db2.gz GYQBHOXMFHCSDR-QWRGUYRKSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989786920 636879882 /nfs/dbraw/zinc/87/98/82/636879882.db2.gz BVOLLCFUSAJDEU-UHFFFAOYSA-N 2 2 248.330 0.603 20 30 BCEDLP C=CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989786920 636879885 /nfs/dbraw/zinc/87/98/85/636879885.db2.gz BVOLLCFUSAJDEU-UHFFFAOYSA-N 2 2 248.330 0.603 20 30 BCEDLP C=C(C)[C@@H](CO)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515018 640243402 /nfs/dbraw/zinc/24/34/02/640243402.db2.gz LEKWBPYDPBIYNM-CYBMUJFWSA-N 2 2 233.315 0.959 20 30 BCEDLP C=C(C)[C@@H](CO)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515018 640243409 /nfs/dbraw/zinc/24/34/09/640243409.db2.gz LEKWBPYDPBIYNM-CYBMUJFWSA-N 2 2 233.315 0.959 20 30 BCEDLP C#CCOCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515480 640248123 /nfs/dbraw/zinc/24/81/23/640248123.db2.gz GBWNRVVTNPFWRX-UHFFFAOYSA-N 2 2 231.299 0.672 20 30 BCEDLP C#CCOCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515480 640248129 /nfs/dbraw/zinc/24/81/29/640248129.db2.gz GBWNRVVTNPFWRX-UHFFFAOYSA-N 2 2 231.299 0.672 20 30 BCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939407237 642869172 /nfs/dbraw/zinc/86/91/72/642869172.db2.gz AGRFONJJFOIWIR-GHMZBOCLSA-N 2 2 248.330 0.575 20 30 BCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939407606 642870805 /nfs/dbraw/zinc/87/08/05/642870805.db2.gz GTGWUQGYZACKLN-MNOVXSKESA-N 2 2 246.314 0.022 20 30 BCEDLP C#CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999911861 643744289 /nfs/dbraw/zinc/74/42/89/643744289.db2.gz CNJITCXCZORAIU-UHFFFAOYSA-N 2 2 246.314 0.095 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923282199 644316028 /nfs/dbraw/zinc/31/60/28/644316028.db2.gz SQLQPTQCOMUQBN-NEPJUHHUSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923282199 644316030 /nfs/dbraw/zinc/31/60/30/644316030.db2.gz SQLQPTQCOMUQBN-NEPJUHHUSA-N 2 2 212.337 0.997 20 30 BCEDLP C[C@@H](C#N)OCC[NH+]1CCC([NH+](C)C)CC1 ZINC000304263513 644883629 /nfs/dbraw/zinc/88/36/29/644883629.db2.gz UIPDZYVEAXHQRO-NSHDSACASA-N 2 2 225.336 0.941 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928429537 645747466 /nfs/dbraw/zinc/74/74/66/645747466.db2.gz QYGYLBASIMFSPI-UPJWGTAASA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928429537 645747473 /nfs/dbraw/zinc/74/74/73/645747473.db2.gz QYGYLBASIMFSPI-UPJWGTAASA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928429537 645747490 /nfs/dbraw/zinc/74/74/90/645747490.db2.gz QYGYLBASIMFSPI-UPJWGTAASA-N 2 2 249.358 0.293 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928429537 645747500 /nfs/dbraw/zinc/74/75/00/645747500.db2.gz QYGYLBASIMFSPI-UPJWGTAASA-N 2 2 249.358 0.293 20 30 BCEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925654190 646391313 /nfs/dbraw/zinc/39/13/13/646391313.db2.gz DLZHEIACXJXGBA-AGIUHOORSA-N 2 2 240.347 0.546 20 30 BCEDLP C=CCOCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925707402 646433263 /nfs/dbraw/zinc/43/32/63/646433263.db2.gz IQKGKTNVVFNKFD-NSHDSACASA-N 2 2 214.309 0.157 20 30 BCEDLP C#CC[C@@H](COC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000716828430 712577363 /nfs/dbraw/zinc/57/73/63/712577363.db2.gz LBWYTRHFRRBAHP-WCQYABFASA-N 2 2 240.347 0.069 20 30 BCEDLP C#CC[C@@H](COC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000716828430 712577364 /nfs/dbraw/zinc/57/73/64/712577364.db2.gz LBWYTRHFRRBAHP-WCQYABFASA-N 2 2 240.347 0.069 20 30 BCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044294181 710823566 /nfs/dbraw/zinc/82/35/66/710823566.db2.gz SAZFOJXYZUECQM-LLVKDONJSA-N 2 2 237.347 0.267 20 30 BCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044294181 710823568 /nfs/dbraw/zinc/82/35/68/710823568.db2.gz SAZFOJXYZUECQM-LLVKDONJSA-N 2 2 237.347 0.267 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000384130151 710989269 /nfs/dbraw/zinc/98/92/69/710989269.db2.gz AIXDSUOYPCTWHX-NWDGAFQWSA-N 2 2 212.337 0.691 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000384130151 710989272 /nfs/dbraw/zinc/98/92/72/710989272.db2.gz AIXDSUOYPCTWHX-NWDGAFQWSA-N 2 2 212.337 0.691 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000384139789 710990552 /nfs/dbraw/zinc/99/05/52/710990552.db2.gz FMKMIZXYJKJJLG-QWHCGFSZSA-N 2 2 224.348 0.833 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384139789 710990555 /nfs/dbraw/zinc/99/05/55/710990555.db2.gz FMKMIZXYJKJJLG-QWHCGFSZSA-N 2 2 224.348 0.833 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001023024671 711609094 /nfs/dbraw/zinc/60/90/94/711609094.db2.gz DXHIKXPVSNYEAL-PHIMTYICSA-N 2 2 248.330 0.683 20 30 BCEDLP CCNC(NCCc1cn(C)c[nH+]1)=[NH+]CC ZINC000313428734 711724326 /nfs/dbraw/zinc/72/43/26/711724326.db2.gz CEIHWIPNQWXWGF-UHFFFAOYSA-N 2 2 223.324 0.538 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601077 136222355 /nfs/dbraw/zinc/22/23/55/136222355.db2.gz WVYVCTIZRAGFMM-LLVKDONJSA-N 2 2 225.336 0.220 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601077 136222356 /nfs/dbraw/zinc/22/23/56/136222356.db2.gz WVYVCTIZRAGFMM-LLVKDONJSA-N 2 2 225.336 0.220 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+]C[C@H](C)CCC#N ZINC000602619568 349640759 /nfs/dbraw/zinc/64/07/59/349640759.db2.gz OXQIAVBAIQZWJV-GFCCVEGCSA-N 2 2 227.352 0.830 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+]C[C@H](C)CCC#N ZINC000602619568 349640762 /nfs/dbraw/zinc/64/07/62/349640762.db2.gz OXQIAVBAIQZWJV-GFCCVEGCSA-N 2 2 227.352 0.830 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCC1CCC1 ZINC000262694405 136281309 /nfs/dbraw/zinc/28/13/09/136281309.db2.gz FXMOPQDZZJMECT-UHFFFAOYSA-N 2 2 235.335 0.848 20 30 BCEDLP C=CC[N@@H+](CCOC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336713965 136278372 /nfs/dbraw/zinc/27/83/72/136278372.db2.gz OTAXCZLGSITWEF-ZDUSSCGKSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[N@H+](CCOC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336713965 136278373 /nfs/dbraw/zinc/27/83/73/136278373.db2.gz OTAXCZLGSITWEF-ZDUSSCGKSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[NH+](CCOC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336713965 136278374 /nfs/dbraw/zinc/27/83/74/136278374.db2.gz OTAXCZLGSITWEF-ZDUSSCGKSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[NH+](CCOC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336713965 136278375 /nfs/dbraw/zinc/27/83/75/136278375.db2.gz OTAXCZLGSITWEF-ZDUSSCGKSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000570836016 323072058 /nfs/dbraw/zinc/07/20/58/323072058.db2.gz APHQVMOFCRTAQC-MNOVXSKESA-N 2 2 212.337 0.996 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641807708 362766266 /nfs/dbraw/zinc/76/62/66/362766266.db2.gz JEXYNSRZTSOUFE-SRVKXCTJSA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641807708 362766271 /nfs/dbraw/zinc/76/62/71/362766271.db2.gz JEXYNSRZTSOUFE-SRVKXCTJSA-N 2 2 239.363 0.736 20 30 BCEDLP C=C[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309678735 347134719 /nfs/dbraw/zinc/13/47/19/347134719.db2.gz YUPJBZGKHCMHDJ-SECBINFHSA-N 2 2 241.360 0.841 20 30 BCEDLP CNC(NCCCNc1cccc[nH+]1)=[NH+]C ZINC000195522530 347457212 /nfs/dbraw/zinc/45/72/12/347457212.db2.gz HRZSGNZWEVZBPN-UHFFFAOYSA-N 2 2 221.308 0.678 20 30 BCEDLP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000591663585 347683662 /nfs/dbraw/zinc/68/36/62/347683662.db2.gz CHDNXNHSFIDGAV-UPJWGTAASA-N 2 2 249.358 0.867 20 30 BCEDLP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000591663585 347683665 /nfs/dbraw/zinc/68/36/65/347683665.db2.gz CHDNXNHSFIDGAV-UPJWGTAASA-N 2 2 249.358 0.867 20 30 BCEDLP C#C[C@H](C)[NH+](C)CC(O)C[N@@H+](C)[C@@H](C)C#C ZINC000491325666 362850600 /nfs/dbraw/zinc/85/06/00/362850600.db2.gz FTQKOYMTACRWPU-RYUDHWBXSA-N 2 2 222.332 0.254 20 30 BCEDLP C#C[C@H](C)[NH+](C)CC(O)C[N@H+](C)[C@@H](C)C#C ZINC000491325666 362850610 /nfs/dbraw/zinc/85/06/10/362850610.db2.gz FTQKOYMTACRWPU-RYUDHWBXSA-N 2 2 222.332 0.254 20 30 BCEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000593947825 347977383 /nfs/dbraw/zinc/97/73/83/347977383.db2.gz ZESYBQFFKXJQCV-TXEJJXNPSA-N 2 2 228.299 0.604 20 30 BCEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000593947825 347977387 /nfs/dbraw/zinc/97/73/87/347977387.db2.gz ZESYBQFFKXJQCV-TXEJJXNPSA-N 2 2 228.299 0.604 20 30 BCEDLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594016077 347989822 /nfs/dbraw/zinc/98/98/22/347989822.db2.gz SOOYGQLNWBSACN-CYBMUJFWSA-N 2 2 248.330 0.703 20 30 BCEDLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000594016077 347989823 /nfs/dbraw/zinc/98/98/23/347989823.db2.gz SOOYGQLNWBSACN-CYBMUJFWSA-N 2 2 248.330 0.703 20 30 BCEDLP C#CC[NH+](CC#C)CCn1cc[nH+]c1C ZINC000270862766 187399441 /nfs/dbraw/zinc/39/94/41/187399441.db2.gz KFRIRMOTAJUSID-UHFFFAOYSA-N 2 2 201.273 0.760 20 30 BCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722291 349028283 /nfs/dbraw/zinc/02/82/83/349028283.db2.gz ZYBPIHSQOXLLFT-VXGBXAGGSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722291 349028284 /nfs/dbraw/zinc/02/82/84/349028284.db2.gz ZYBPIHSQOXLLFT-VXGBXAGGSA-N 2 2 239.363 0.971 20 30 BCEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599091540 349091767 /nfs/dbraw/zinc/09/17/67/349091767.db2.gz BZWOVGWMJZIRRO-XQQFMLRXSA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599091540 349091770 /nfs/dbraw/zinc/09/17/70/349091770.db2.gz BZWOVGWMJZIRRO-XQQFMLRXSA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599084391 349097107 /nfs/dbraw/zinc/09/71/07/349097107.db2.gz BZWOVGWMJZIRRO-RWMBFGLXSA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599084391 349097108 /nfs/dbraw/zinc/09/71/08/349097108.db2.gz BZWOVGWMJZIRRO-RWMBFGLXSA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599084390 349097230 /nfs/dbraw/zinc/09/72/30/349097230.db2.gz BZWOVGWMJZIRRO-JHJVBQTASA-N 2 2 237.347 0.725 20 30 BCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599084390 349097234 /nfs/dbraw/zinc/09/72/34/349097234.db2.gz BZWOVGWMJZIRRO-JHJVBQTASA-N 2 2 237.347 0.725 20 30 BCEDLP C[C@]1(C[NH+]2CCN(CCC#N)CC2)CC[NH2+]C1 ZINC000602023622 349419908 /nfs/dbraw/zinc/41/99/08/349419908.db2.gz YWCOANUJDHIXAX-ZDUSSCGKSA-N 2 2 236.363 0.517 20 30 BCEDLP CC#CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000160517443 353266031 /nfs/dbraw/zinc/26/60/31/353266031.db2.gz CJDDGAOWWGVINM-UHFFFAOYSA-N 2 2 249.358 0.250 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162703840 353329793 /nfs/dbraw/zinc/32/97/93/353329793.db2.gz HOYTVSIYBXVVEP-GFCCVEGCSA-N 2 2 237.347 0.411 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162703840 353329796 /nfs/dbraw/zinc/32/97/96/353329796.db2.gz HOYTVSIYBXVVEP-GFCCVEGCSA-N 2 2 237.347 0.411 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130398839 353351238 /nfs/dbraw/zinc/35/12/38/353351238.db2.gz HSZUEGKRPTWWIG-LBPRGKRZSA-N 2 2 248.330 0.343 20 30 BCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130398839 353351240 /nfs/dbraw/zinc/35/12/40/353351240.db2.gz HSZUEGKRPTWWIG-LBPRGKRZSA-N 2 2 248.330 0.343 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H](C[NH3+])C2CC2)C1=O ZINC000420317859 192212095 /nfs/dbraw/zinc/21/20/95/192212095.db2.gz OYNNLCBKCXCJSQ-RYUDHWBXSA-N 2 2 237.347 0.442 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H](C[NH3+])C2CC2)C1=O ZINC000420317859 192212096 /nfs/dbraw/zinc/21/20/96/192212096.db2.gz OYNNLCBKCXCJSQ-RYUDHWBXSA-N 2 2 237.347 0.442 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420366267 192225964 /nfs/dbraw/zinc/22/59/64/192225964.db2.gz LZFMRFJLUPUCEI-WHOHXGKFSA-N 2 2 239.363 0.653 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000420324348 192229899 /nfs/dbraw/zinc/22/98/99/192229899.db2.gz ZKZLOPWIGHAANO-UPJWGTAASA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000420324348 192229900 /nfs/dbraw/zinc/22/99/00/192229900.db2.gz ZKZLOPWIGHAANO-UPJWGTAASA-N 2 2 249.358 0.457 20 30 BCEDLP C=CCN1CC[C@H]([NH2+][C@](C)(C[NH3+])C(C)C)C1=O ZINC000420326766 192230614 /nfs/dbraw/zinc/23/06/14/192230614.db2.gz XPUZPBGNFOSDIV-WCQYABFASA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420366266 192225552 /nfs/dbraw/zinc/22/55/52/192225552.db2.gz LZFMRFJLUPUCEI-NOOOWODRSA-N 2 2 239.363 0.653 20 30 BCEDLP C#CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362482397 356945931 /nfs/dbraw/zinc/94/59/31/356945931.db2.gz AWFVSSKVERJLGG-ZDUSSCGKSA-N 2 2 249.358 0.424 20 30 BCEDLP C#CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362482397 356945934 /nfs/dbraw/zinc/94/59/34/356945934.db2.gz AWFVSSKVERJLGG-ZDUSSCGKSA-N 2 2 249.358 0.424 20 30 BCEDLP C#CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362639477 134213580 /nfs/dbraw/zinc/21/35/80/134213580.db2.gz KSJRPIWLRWRJOD-CYBMUJFWSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362639477 134213581 /nfs/dbraw/zinc/21/35/81/134213581.db2.gz KSJRPIWLRWRJOD-CYBMUJFWSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362639477 134213582 /nfs/dbraw/zinc/21/35/82/134213582.db2.gz KSJRPIWLRWRJOD-CYBMUJFWSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362639477 134213583 /nfs/dbraw/zinc/21/35/83/134213583.db2.gz KSJRPIWLRWRJOD-CYBMUJFWSA-N 2 2 235.375 0.720 20 30 BCEDLP CCCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303970209 134235675 /nfs/dbraw/zinc/23/56/75/134235675.db2.gz CKHMJFSAJQXOSA-SNVBAGLBSA-N 2 2 228.340 0.021 20 30 BCEDLP CCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303970209 134235676 /nfs/dbraw/zinc/23/56/76/134235676.db2.gz CKHMJFSAJQXOSA-SNVBAGLBSA-N 2 2 228.340 0.021 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123431660 134243649 /nfs/dbraw/zinc/24/36/49/134243649.db2.gz KENOQZZDSPQHQN-RYUDHWBXSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123431660 134243650 /nfs/dbraw/zinc/24/36/50/134243650.db2.gz KENOQZZDSPQHQN-RYUDHWBXSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123431660 134243651 /nfs/dbraw/zinc/24/36/51/134243651.db2.gz KENOQZZDSPQHQN-RYUDHWBXSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123431660 134243652 /nfs/dbraw/zinc/24/36/52/134243652.db2.gz KENOQZZDSPQHQN-RYUDHWBXSA-N 2 2 239.363 0.703 20 30 BCEDLP C[C@H](C[NH2+]CCC#N)C[NH+]1CCOCC1 ZINC000578232612 366463608 /nfs/dbraw/zinc/46/36/08/366463608.db2.gz ZVNOHOZUPCUSLR-LLVKDONJSA-N 2 2 211.309 0.458 20 30 BCEDLP N#CCCN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000611432033 359363829 /nfs/dbraw/zinc/36/38/29/359363829.db2.gz JCGPIRSZCQWBBD-UHFFFAOYSA-N 2 2 247.346 0.804 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249038715 359629921 /nfs/dbraw/zinc/62/99/21/359629921.db2.gz UAYUGOKXBIIAJH-OLZOCXBDSA-N 2 2 239.363 0.973 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249038715 359629923 /nfs/dbraw/zinc/62/99/23/359629923.db2.gz UAYUGOKXBIIAJH-OLZOCXBDSA-N 2 2 239.363 0.973 20 30 BCEDLP C[C@@H](CC#N)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000068609977 370820593 /nfs/dbraw/zinc/82/05/93/370820593.db2.gz HJLANRLAWANCIW-NSHDSACASA-N 2 2 238.335 0.042 20 30 BCEDLP NC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000057887612 368502751 /nfs/dbraw/zinc/50/27/51/368502751.db2.gz PBPYVKRMGVCBTI-UHFFFAOYSA-N 2 2 229.287 0.705 20 30 BCEDLP C=C[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000619719775 369550149 /nfs/dbraw/zinc/55/01/49/369550149.db2.gz CBFOUECENQPANM-NSHDSACASA-N 2 2 237.303 0.933 20 30 BCEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000602605043 369826272 /nfs/dbraw/zinc/82/62/72/369826272.db2.gz RUWKMIYMXQNFOM-LBPRGKRZSA-N 2 2 246.314 0.776 20 30 BCEDLP C[N@@H+](Cc1cccc(C#N)n1)CC1C[NH+](C)C1 ZINC000602707815 369844509 /nfs/dbraw/zinc/84/45/09/369844509.db2.gz JKACVNUAAXNFAF-UHFFFAOYSA-N 2 2 230.315 0.947 20 30 BCEDLP C[N@H+](Cc1cccc(C#N)n1)CC1C[NH+](C)C1 ZINC000602707815 369844514 /nfs/dbraw/zinc/84/45/14/369844514.db2.gz JKACVNUAAXNFAF-UHFFFAOYSA-N 2 2 230.315 0.947 20 30 BCEDLP COCC[NH+]1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000309890094 370272217 /nfs/dbraw/zinc/27/22/17/370272217.db2.gz CBNLMCPCLCJZAC-LLVKDONJSA-N 2 2 225.336 0.846 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000631867646 372669387 /nfs/dbraw/zinc/66/93/87/372669387.db2.gz YHVILVZYNFEURB-BZPMIXESSA-N 2 2 249.358 0.505 20 30 BCEDLP COC[C@@](C)([NH3+])CNc1cc(C)[nH+]cc1C#N ZINC000425228043 206021100 /nfs/dbraw/zinc/02/11/00/206021100.db2.gz OXESMNBOQHBSLW-LBPRGKRZSA-N 2 2 234.303 0.459 20 30 BCEDLP C=C(C)COCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000163591085 383995744 /nfs/dbraw/zinc/99/57/44/383995744.db2.gz LYLZDPZWENFBMK-QWHCGFSZSA-N 2 2 242.363 0.936 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297286 384199941 /nfs/dbraw/zinc/19/99/41/384199941.db2.gz KAXLSADFIMMHJY-MNOVXSKESA-N 2 2 225.336 0.218 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297286 384199944 /nfs/dbraw/zinc/19/99/44/384199944.db2.gz KAXLSADFIMMHJY-MNOVXSKESA-N 2 2 225.336 0.218 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309734907 384573414 /nfs/dbraw/zinc/57/34/14/384573414.db2.gz CDDXWAWPXVLPRO-LOWVWBTDSA-N 2 2 224.348 0.996 20 30 BCEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309734907 384573421 /nfs/dbraw/zinc/57/34/21/384573421.db2.gz CDDXWAWPXVLPRO-LOWVWBTDSA-N 2 2 224.348 0.996 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000564465332 384870038 /nfs/dbraw/zinc/87/00/38/384870038.db2.gz LDNUUHTZBGSLTM-JQWIXIFHSA-N 2 2 225.336 0.723 20 30 BCEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913300 385456434 /nfs/dbraw/zinc/45/64/34/385456434.db2.gz UFAPPHRTIOOQGQ-JTQLQIEISA-N 2 2 249.318 0.139 20 30 BCEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913300 385456438 /nfs/dbraw/zinc/45/64/38/385456438.db2.gz UFAPPHRTIOOQGQ-JTQLQIEISA-N 2 2 249.318 0.139 20 30 BCEDLP C[C@@H]1CCCN(C(=[NH2+])NCCn2cc[nH+]c2)C1 ZINC000263252129 385654576 /nfs/dbraw/zinc/65/45/76/385654576.db2.gz PHJDLCNRGLZVTH-LLVKDONJSA-N 2 2 235.335 0.930 20 30 BCEDLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000602854182 385828150 /nfs/dbraw/zinc/82/81/50/385828150.db2.gz NXHIZNLEJUYHKU-BETUJISGSA-N 2 2 247.346 0.801 20 30 BCEDLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C)N1CC#N ZINC000602854182 385828154 /nfs/dbraw/zinc/82/81/54/385828154.db2.gz NXHIZNLEJUYHKU-BETUJISGSA-N 2 2 247.346 0.801 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@@](C)(C[NH3+])C2CC2)C1=O ZINC000519827882 386565600 /nfs/dbraw/zinc/56/56/00/386565600.db2.gz VFVOWUCYDPJAOH-YPMHNXCESA-N 2 2 237.347 0.490 20 30 BCEDLP CN(C)c1[nH+]cc(C[NH2+]CCCC#N)n1C ZINC000425344620 386855422 /nfs/dbraw/zinc/85/54/22/386855422.db2.gz JAQZCZGPEKNSPO-UHFFFAOYSA-N 2 2 221.308 0.879 20 30 BCEDLP COCC[N@H+](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399523701 386956591 /nfs/dbraw/zinc/95/65/91/386956591.db2.gz RJKAOBHUWSEGMB-UHFFFAOYSA-N 2 2 248.330 0.674 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000328104924 387872756 /nfs/dbraw/zinc/87/27/56/387872756.db2.gz MGQPFHXPELILOW-SECBINFHSA-N 2 2 238.253 0.454 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000328104924 387872758 /nfs/dbraw/zinc/87/27/58/387872758.db2.gz MGQPFHXPELILOW-SECBINFHSA-N 2 2 238.253 0.454 20 30 BCEDLP CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000195522641 387921276 /nfs/dbraw/zinc/92/12/76/387921276.db2.gz KNLXTAAFSAHHTE-UHFFFAOYSA-N 2 2 230.275 0.301 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423160508 387941349 /nfs/dbraw/zinc/94/13/49/387941349.db2.gz ZJWQWKDRWXVOGY-XQHKEYJVSA-N 2 2 240.347 0.687 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423160249 387941911 /nfs/dbraw/zinc/94/19/11/387941911.db2.gz ZJWQWKDRWXVOGY-RVMXOQNASA-N 2 2 240.347 0.687 20 30 BCEDLP C#C[C@@H](C)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)C#C)COC1 ZINC000491704760 388313170 /nfs/dbraw/zinc/31/31/70/388313170.db2.gz BSZGQCWQZQURKX-OKILXGFUSA-N 2 2 248.370 0.910 20 30 BCEDLP C#C[C@@H](C)[NH+](C)CC1(C[N@H+](C)[C@@H](C)C#C)COC1 ZINC000491704760 388313171 /nfs/dbraw/zinc/31/31/71/388313171.db2.gz BSZGQCWQZQURKX-OKILXGFUSA-N 2 2 248.370 0.910 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)CC1(C[NH+](C)[C@@H](C)C#C)COC1 ZINC000491704760 388313172 /nfs/dbraw/zinc/31/31/72/388313172.db2.gz BSZGQCWQZQURKX-OKILXGFUSA-N 2 2 248.370 0.910 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)CC1(C[NH+](C)[C@@H](C)C#C)COC1 ZINC000491704760 388313173 /nfs/dbraw/zinc/31/31/73/388313173.db2.gz BSZGQCWQZQURKX-OKILXGFUSA-N 2 2 248.370 0.910 20 30 BCEDLP C#C[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000491802503 388321376 /nfs/dbraw/zinc/32/13/76/388321376.db2.gz GPSZSCVVCORCNY-GFCCVEGCSA-N 2 2 219.288 0.607 20 30 BCEDLP C#C[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000491802503 388321377 /nfs/dbraw/zinc/32/13/77/388321377.db2.gz GPSZSCVVCORCNY-GFCCVEGCSA-N 2 2 219.288 0.607 20 30 BCEDLP C=CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613563 388709139 /nfs/dbraw/zinc/70/91/39/388709139.db2.gz OUIJQJYZOJFCRK-JTQLQIEISA-N 2 2 211.309 0.054 20 30 BCEDLP C=CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613563 388709140 /nfs/dbraw/zinc/70/91/40/388709140.db2.gz OUIJQJYZOJFCRK-JTQLQIEISA-N 2 2 211.309 0.054 20 30 BCEDLP C[NH+]=C(NCC[NH+]1CCC1)NC[C@@H]1CCCO1 ZINC000261732773 533478633 /nfs/dbraw/zinc/47/86/33/533478633.db2.gz OKLVSRQEAAQRAR-NSHDSACASA-N 2 2 240.351 0.036 20 30 BCEDLP CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303261302 134233206 /nfs/dbraw/zinc/23/32/06/134233206.db2.gz OIOSUAABQQDLQY-UHFFFAOYSA-N 2 2 230.275 0.301 20 30 BCEDLP CN/C(=[NH+]/C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262000373 135113960 /nfs/dbraw/zinc/11/39/60/135113960.db2.gz UFTUZDMYJRULLV-QWRGUYRKSA-N 2 2 235.335 0.971 20 30 BCEDLP C=CCNC(NCCn1cc[nH+]c1)=[NH+]C ZINC000263229819 135126256 /nfs/dbraw/zinc/12/62/56/135126256.db2.gz HSUCRXCCFIUSNE-UHFFFAOYSA-N 2 2 207.281 0.234 20 30 BCEDLP CNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000264119702 135134631 /nfs/dbraw/zinc/13/46/31/135134631.db2.gz UOMBOHFQEATSMK-UHFFFAOYSA-N 2 2 238.360 0.640 20 30 BCEDLP CNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000264119702 135134633 /nfs/dbraw/zinc/13/46/33/135134633.db2.gz UOMBOHFQEATSMK-UHFFFAOYSA-N 2 2 238.360 0.640 20 30 BCEDLP Cn1cc[nH+]c1N1CC[NH+](CCCC#N)CC1 ZINC000266891589 135149777 /nfs/dbraw/zinc/14/97/77/135149777.db2.gz DBRJVSLCDUVMRA-UHFFFAOYSA-N 2 2 233.319 0.846 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)NC)CC1 ZINC000341905286 135244529 /nfs/dbraw/zinc/24/45/29/135244529.db2.gz VZOGDPKOWMURDT-LLVKDONJSA-N 2 2 239.363 0.751 20 30 BCEDLP CC(C)NC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262017011 135273353 /nfs/dbraw/zinc/27/33/53/135273353.db2.gz WKXOONKMYPVVSQ-UHFFFAOYSA-N 2 2 242.367 0.410 20 30 BCEDLP CC(C)NC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000262017011 135273355 /nfs/dbraw/zinc/27/33/55/135273355.db2.gz WKXOONKMYPVVSQ-UHFFFAOYSA-N 2 2 242.367 0.410 20 30 BCEDLP CNC(NCC[N@H+](C)Cc1ccccc1)=[NH+]C ZINC000264098690 135362034 /nfs/dbraw/zinc/36/20/34/135362034.db2.gz NIRSFMKPSNDFGQ-UHFFFAOYSA-N 2 2 234.347 0.913 20 30 BCEDLP CNC(NCC[N@@H+](C)Cc1ccccc1)=[NH+]C ZINC000264098690 135362036 /nfs/dbraw/zinc/36/20/36/135362036.db2.gz NIRSFMKPSNDFGQ-UHFFFAOYSA-N 2 2 234.347 0.913 20 30 BCEDLP C=C(C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687105 398036263 /nfs/dbraw/zinc/03/62/63/398036263.db2.gz JCIKPRONYDADMV-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP C=C(C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687105 398036266 /nfs/dbraw/zinc/03/62/66/398036266.db2.gz JCIKPRONYDADMV-UHFFFAOYSA-N 2 2 225.336 0.268 20 30 BCEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000491763374 398065170 /nfs/dbraw/zinc/06/51/70/398065170.db2.gz ACPNFIAMZGFJGA-ZDUSSCGKSA-N 2 2 222.332 0.539 20 30 BCEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000491763374 398065172 /nfs/dbraw/zinc/06/51/72/398065172.db2.gz ACPNFIAMZGFJGA-ZDUSSCGKSA-N 2 2 222.332 0.539 20 30 BCEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000491763374 398065178 /nfs/dbraw/zinc/06/51/78/398065178.db2.gz ACPNFIAMZGFJGA-ZDUSSCGKSA-N 2 2 222.332 0.539 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193297778 398114264 /nfs/dbraw/zinc/11/42/64/398114264.db2.gz UAYUGOKXBIIAJH-STQMWFEESA-N 2 2 239.363 0.973 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193297778 398114266 /nfs/dbraw/zinc/11/42/66/398114266.db2.gz UAYUGOKXBIIAJH-STQMWFEESA-N 2 2 239.363 0.973 20 30 BCEDLP C=CCOCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000304276116 409966025 /nfs/dbraw/zinc/96/60/25/409966025.db2.gz WKZJZAVQWVKJFY-NEPJUHHUSA-N 2 2 228.336 0.546 20 30 BCEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658334417 411342653 /nfs/dbraw/zinc/34/26/53/411342653.db2.gz INMIHIUFZKGOHI-SNVBAGLBSA-N 2 2 210.321 0.750 20 30 BCEDLP C=C(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000653609422 411438317 /nfs/dbraw/zinc/43/83/17/411438317.db2.gz MJGUIZXTGFPDJJ-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=C(C)C[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000653609422 411438319 /nfs/dbraw/zinc/43/83/19/411438319.db2.gz MJGUIZXTGFPDJJ-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000653609422 411438321 /nfs/dbraw/zinc/43/83/21/411438321.db2.gz MJGUIZXTGFPDJJ-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=C(C)C[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000653609422 411438324 /nfs/dbraw/zinc/43/83/24/411438324.db2.gz MJGUIZXTGFPDJJ-LBPRGKRZSA-N 2 2 230.352 0.433 20 30 BCEDLP C=CC[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657434773 411506637 /nfs/dbraw/zinc/50/66/37/411506637.db2.gz HNUCEVGZIVBJQS-SNVBAGLBSA-N 2 2 221.304 0.856 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)COC ZINC000661239770 411739485 /nfs/dbraw/zinc/73/94/85/411739485.db2.gz JBPVWOLAELJWJV-STQMWFEESA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)COC ZINC000661239770 411739486 /nfs/dbraw/zinc/73/94/86/411739486.db2.gz JBPVWOLAELJWJV-STQMWFEESA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)COC ZINC000661239770 411739490 /nfs/dbraw/zinc/73/94/90/411739490.db2.gz JBPVWOLAELJWJV-STQMWFEESA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)COC ZINC000661239770 411739491 /nfs/dbraw/zinc/73/94/91/411739491.db2.gz JBPVWOLAELJWJV-STQMWFEESA-N 2 2 244.379 0.822 20 30 BCEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000358150574 173164868 /nfs/dbraw/zinc/16/48/68/173164868.db2.gz AVDMQNURIBMXKE-LBPRGKRZSA-N 2 2 235.287 0.307 20 30 BCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000358150574 173164870 /nfs/dbraw/zinc/16/48/70/173164870.db2.gz AVDMQNURIBMXKE-LBPRGKRZSA-N 2 2 235.287 0.307 20 30 BCEDLP COCC[N@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000104183615 583159629 /nfs/dbraw/zinc/15/96/29/583159629.db2.gz BCTYXNFSNKVWNX-UHFFFAOYSA-N 2 2 244.383 0.515 20 30 BCEDLP COCC[N@@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000104183615 583159632 /nfs/dbraw/zinc/15/96/32/583159632.db2.gz BCTYXNFSNKVWNX-UHFFFAOYSA-N 2 2 244.383 0.515 20 30 BCEDLP C[C@@H]1C[NH+]=C(NN=Cc2c[nH+]c3n2CCC3)N1 ZINC000853330203 588733574 /nfs/dbraw/zinc/73/35/74/588733574.db2.gz KOBOLSNQVRWGQI-MRVPVSSYSA-N 2 2 232.291 0.101 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981448 588928311 /nfs/dbraw/zinc/92/83/11/588928311.db2.gz DZYAHLGWUNAWFS-JTQLQIEISA-N 2 2 234.303 0.562 20 30 BCEDLP C#Cc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000858298783 588943276 /nfs/dbraw/zinc/94/32/76/588943276.db2.gz XWLLSSVVPQFWFG-OAHLLOKOSA-N 2 2 244.338 0.824 20 30 BCEDLP C#Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000858298783 588943277 /nfs/dbraw/zinc/94/32/77/588943277.db2.gz XWLLSSVVPQFWFG-OAHLLOKOSA-N 2 2 244.338 0.824 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NC1=[NH+]CCS1 ZINC000900005658 584264466 /nfs/dbraw/zinc/26/44/66/584264466.db2.gz FJGOEMOCWHIZPH-UHFFFAOYSA-N 2 2 227.333 0.713 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1C ZINC000900564535 584325749 /nfs/dbraw/zinc/32/57/49/584325749.db2.gz YTNZFQRJDFZOJU-UHFFFAOYSA-N 2 2 236.319 0.544 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467397 584774570 /nfs/dbraw/zinc/77/45/70/584774570.db2.gz AYYJCNQQGUQIQM-MNOVXSKESA-N 2 2 237.347 0.551 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485102 584779516 /nfs/dbraw/zinc/77/95/16/584779516.db2.gz ICAJMHVRKPZQFE-NSHDSACASA-N 2 2 237.347 0.553 20 30 BCEDLP N#C[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563706 584782248 /nfs/dbraw/zinc/78/22/48/584782248.db2.gz JXXKJXCWNKFLQJ-VXGBXAGGSA-N 2 2 235.331 0.743 20 30 BCEDLP N#C[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563706 584782250 /nfs/dbraw/zinc/78/22/50/584782250.db2.gz JXXKJXCWNKFLQJ-VXGBXAGGSA-N 2 2 235.331 0.743 20 30 BCEDLP C[C@]1(C#N)C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903825041 584804391 /nfs/dbraw/zinc/80/43/91/584804391.db2.gz XJWWTEOJZVAQMU-NEPJUHHUSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@]1(C#N)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903825041 584804392 /nfs/dbraw/zinc/80/43/92/584804392.db2.gz XJWWTEOJZVAQMU-NEPJUHHUSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@]1(C#N)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903824919 584804725 /nfs/dbraw/zinc/80/47/25/584804725.db2.gz UYZXGLPGZAAXDC-WOPDTQHZSA-N 2 2 223.320 0.728 20 30 BCEDLP C[C@]1(C#N)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903824919 584804726 /nfs/dbraw/zinc/80/47/26/584804726.db2.gz UYZXGLPGZAAXDC-WOPDTQHZSA-N 2 2 223.320 0.728 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3CC[C@]32C[NH3+])C1=O ZINC000903860999 584812108 /nfs/dbraw/zinc/81/21/08/584812108.db2.gz VHESNFLNVZBLIN-DYEKYZERSA-N 2 2 249.358 0.587 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C1=O ZINC000903860999 584812109 /nfs/dbraw/zinc/81/21/09/584812109.db2.gz VHESNFLNVZBLIN-DYEKYZERSA-N 2 2 249.358 0.587 20 30 BCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739926906 585086404 /nfs/dbraw/zinc/08/64/04/585086404.db2.gz NAFWAHRZYSYWOV-CYBMUJFWSA-N 2 2 249.358 0.154 20 30 BCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739926906 585086405 /nfs/dbraw/zinc/08/64/05/585086405.db2.gz NAFWAHRZYSYWOV-CYBMUJFWSA-N 2 2 249.358 0.154 20 30 BCEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@@H+]1C ZINC000753937674 585272530 /nfs/dbraw/zinc/27/25/30/585272530.db2.gz YSQVYDXXRHYBOW-USWWRNFRSA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@H+]1C ZINC000753937674 585272531 /nfs/dbraw/zinc/27/25/31/585272531.db2.gz YSQVYDXXRHYBOW-USWWRNFRSA-N 2 2 249.362 0.926 20 30 BCEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000753966915 585274026 /nfs/dbraw/zinc/27/40/26/585274026.db2.gz JZXDIFYCGAWNBK-NSHDSACASA-N 2 2 236.363 0.846 20 30 BCEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000753966915 585274027 /nfs/dbraw/zinc/27/40/27/585274027.db2.gz JZXDIFYCGAWNBK-NSHDSACASA-N 2 2 236.363 0.846 20 30 BCEDLP C#CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000754027183 585275736 /nfs/dbraw/zinc/27/57/36/585275736.db2.gz GKKTZZYXVPUCLR-CYBMUJFWSA-N 2 2 249.358 0.247 20 30 BCEDLP C#CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000754027183 585275737 /nfs/dbraw/zinc/27/57/37/585275737.db2.gz GKKTZZYXVPUCLR-CYBMUJFWSA-N 2 2 249.358 0.247 20 30 BCEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+]1C ZINC000761792687 585418734 /nfs/dbraw/zinc/41/87/34/585418734.db2.gz FWLUWNWJWBECMF-JTQLQIEISA-N 2 2 210.325 0.314 20 30 BCEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+]1C ZINC000761792687 585418735 /nfs/dbraw/zinc/41/87/35/585418735.db2.gz FWLUWNWJWBECMF-JTQLQIEISA-N 2 2 210.325 0.314 20 30 BCEDLP C#CCCC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000766898933 585510293 /nfs/dbraw/zinc/51/02/93/585510293.db2.gz KYKPKLAYSYMAIY-GFCCVEGCSA-N 2 2 210.321 0.662 20 30 BCEDLP C#CCCC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000766898933 585510294 /nfs/dbraw/zinc/51/02/94/585510294.db2.gz KYKPKLAYSYMAIY-GFCCVEGCSA-N 2 2 210.321 0.662 20 30 BCEDLP CC(=[NH+]NC(N)=[NH2+])c1ccccc1N(C)C ZINC000769570627 585559582 /nfs/dbraw/zinc/55/95/82/585559582.db2.gz SQMMGPZTEOQLJC-UHFFFAOYSA-N 2 2 219.292 0.960 20 30 BCEDLP CN(C)c1ncc(C=[NH+]Nc2cc[nH+]cc2)cn1 ZINC000814899844 586646244 /nfs/dbraw/zinc/64/62/44/586646244.db2.gz QOFJNQCSEDQEMZ-UHFFFAOYSA-N 2 2 242.286 0.806 20 30 BCEDLP Cc1nn(C)c(N)c1C=[NH+]Nc1cc[nH+]cc1 ZINC000814899918 586646428 /nfs/dbraw/zinc/64/64/28/586646428.db2.gz VFEPGQDLLLJXNN-UHFFFAOYSA-N 2 2 230.275 0.574 20 30 BCEDLP CN(C)c1cc[nH+]cc1C=[NH+]NCCO ZINC000814944319 586657666 /nfs/dbraw/zinc/65/76/66/586657666.db2.gz ZLMVBPYOLUIWSW-UHFFFAOYSA-N 2 2 208.265 0.063 20 30 BCEDLP CC#CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000815279246 586676773 /nfs/dbraw/zinc/67/67/73/586676773.db2.gz FUVUTUQHRUYCQC-LBPRGKRZSA-N 2 2 210.321 0.398 20 30 BCEDLP CC#CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000815279246 586676774 /nfs/dbraw/zinc/67/67/74/586676774.db2.gz FUVUTUQHRUYCQC-LBPRGKRZSA-N 2 2 210.321 0.398 20 30 BCEDLP C#CC[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000821385358 587114901 /nfs/dbraw/zinc/11/49/01/587114901.db2.gz BOFAWXNFULJIMG-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC[N@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000821385358 587114902 /nfs/dbraw/zinc/11/49/02/587114902.db2.gz BOFAWXNFULJIMG-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000821385358 587114904 /nfs/dbraw/zinc/11/49/04/587114904.db2.gz BOFAWXNFULJIMG-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000821385358 587114906 /nfs/dbraw/zinc/11/49/06/587114906.db2.gz BOFAWXNFULJIMG-GFCCVEGCSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CCC[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825077748 587302998 /nfs/dbraw/zinc/30/29/98/587302998.db2.gz HCWGBDUCDCPQJV-UHFFFAOYSA-N 2 2 246.314 0.120 20 30 BCEDLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc[nH+]1 ZINC000841166224 587948090 /nfs/dbraw/zinc/94/80/90/587948090.db2.gz MBDYIGABUZQRNP-GXSJLCMTSA-N 2 2 245.286 0.045 20 30 BCEDLP C[C@@H]1CC(N=NC2=[NH+]CCN2)C[N@@H+]1C1CC1 ZINC000841661305 587970523 /nfs/dbraw/zinc/97/05/23/587970523.db2.gz NYIFTOJQCMFHOK-MRVPVSSYSA-N 2 2 221.308 0.148 20 30 BCEDLP C[C@@H]1CC(N=NC2=[NH+]CCN2)C[N@H+]1C1CC1 ZINC000841661305 587970524 /nfs/dbraw/zinc/97/05/24/587970524.db2.gz NYIFTOJQCMFHOK-MRVPVSSYSA-N 2 2 221.308 0.148 20 30 BCEDLP C=C(Cl)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846671401 588282092 /nfs/dbraw/zinc/28/20/92/588282092.db2.gz SEEWJJNWGIWYBJ-MRVPVSSYSA-N 2 2 219.716 0.134 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C(C)C ZINC000846775804 588287578 /nfs/dbraw/zinc/28/75/78/588287578.db2.gz CSHILPWADGJURW-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C(C)C ZINC000846775804 588287579 /nfs/dbraw/zinc/28/75/79/588287579.db2.gz CSHILPWADGJURW-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)C ZINC000846775804 588287580 /nfs/dbraw/zinc/28/75/80/588287580.db2.gz CSHILPWADGJURW-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)C ZINC000846775804 588287581 /nfs/dbraw/zinc/28/75/81/588287581.db2.gz CSHILPWADGJURW-ZDUSSCGKSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C(C)C ZINC000846775802 588287633 /nfs/dbraw/zinc/28/76/33/588287633.db2.gz CSHILPWADGJURW-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C(C)C ZINC000846775802 588287634 /nfs/dbraw/zinc/28/76/34/588287634.db2.gz CSHILPWADGJURW-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C(C)C ZINC000846775802 588287635 /nfs/dbraw/zinc/28/76/35/588287635.db2.gz CSHILPWADGJURW-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C(C)C ZINC000846775802 588287636 /nfs/dbraw/zinc/28/76/36/588287636.db2.gz CSHILPWADGJURW-CYBMUJFWSA-N 2 2 244.379 0.822 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000846996310 588300872 /nfs/dbraw/zinc/30/08/72/588300872.db2.gz WGQAYNNVMDLJLX-NWDGAFQWSA-N 2 2 225.336 0.725 20 30 BCEDLP C[C@@H]1C[N@H+](C)CC1N=NCCCn1cc[nH+]c1 ZINC000848418551 588382366 /nfs/dbraw/zinc/38/23/66/588382366.db2.gz NMHHMXIRKNKBBU-LLVKDONJSA-N 2 2 235.335 0.800 20 30 BCEDLP C[C@@H]1C[N@@H+](C)CC1N=NCCCn1cc[nH+]c1 ZINC000848418551 588382368 /nfs/dbraw/zinc/38/23/68/588382368.db2.gz NMHHMXIRKNKBBU-LLVKDONJSA-N 2 2 235.335 0.800 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851988718 588652265 /nfs/dbraw/zinc/65/22/65/588652265.db2.gz CLZFXPHLRSNAHV-VXGBXAGGSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000851988718 588652266 /nfs/dbraw/zinc/65/22/66/588652266.db2.gz CLZFXPHLRSNAHV-VXGBXAGGSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000851988718 588652267 /nfs/dbraw/zinc/65/22/67/588652267.db2.gz CLZFXPHLRSNAHV-VXGBXAGGSA-N 2 2 212.337 0.641 20 30 BCEDLP C#C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000851988718 588652268 /nfs/dbraw/zinc/65/22/68/588652268.db2.gz CLZFXPHLRSNAHV-VXGBXAGGSA-N 2 2 212.337 0.641 20 30 BCEDLP N#Cc1ccc(CC[N@H+](CC[NH3+])CCO)cc1 ZINC000852746330 588699205 /nfs/dbraw/zinc/69/92/05/588699205.db2.gz ISRUUBYTJVHBON-UHFFFAOYSA-N 2 2 233.315 0.354 20 30 BCEDLP N#Cc1ccc(CC[N@@H+](CC[NH3+])CCO)cc1 ZINC000852746330 588699206 /nfs/dbraw/zinc/69/92/06/588699206.db2.gz ISRUUBYTJVHBON-UHFFFAOYSA-N 2 2 233.315 0.354 20 30 BCEDLP C#CCC[N@@H+](CCOC)CCn1cc[nH+]c1 ZINC000852751214 588699880 /nfs/dbraw/zinc/69/98/80/588699880.db2.gz SZZNQLRAZAFFIM-UHFFFAOYSA-N 2 2 221.304 0.855 20 30 BCEDLP C#CCC[N@H+](CCOC)CCn1cc[nH+]c1 ZINC000852751214 588699881 /nfs/dbraw/zinc/69/98/81/588699881.db2.gz SZZNQLRAZAFFIM-UHFFFAOYSA-N 2 2 221.304 0.855 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000125218437 590156571 /nfs/dbraw/zinc/15/65/71/590156571.db2.gz LYLRNJKZOMMOFZ-GFCCVEGCSA-N 2 2 237.347 0.104 20 30 BCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000876778361 590240272 /nfs/dbraw/zinc/24/02/72/590240272.db2.gz CGGTWUOPXOAPPB-QMMMGPOBSA-N 2 2 242.710 0.804 20 30 BCEDLP C#CCC[NH+]1CCN(CCc2c[nH+]cn2C)CC1 ZINC000878313927 590541047 /nfs/dbraw/zinc/54/10/47/590541047.db2.gz NAVXMYJNSVXWDC-UHFFFAOYSA-N 2 2 246.358 0.604 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572376 590811029 /nfs/dbraw/zinc/81/10/29/590811029.db2.gz PODYNTMEKSJGIY-RYUDHWBXSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572376 590811032 /nfs/dbraw/zinc/81/10/32/590811032.db2.gz PODYNTMEKSJGIY-RYUDHWBXSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572376 590811036 /nfs/dbraw/zinc/81/10/36/590811036.db2.gz PODYNTMEKSJGIY-RYUDHWBXSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572376 590811040 /nfs/dbraw/zinc/81/10/40/590811040.db2.gz PODYNTMEKSJGIY-RYUDHWBXSA-N 2 2 237.347 0.315 20 30 BCEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880137767 590939561 /nfs/dbraw/zinc/93/95/61/590939561.db2.gz KNBMGMOWSNAQMX-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880137767 590939563 /nfs/dbraw/zinc/93/95/63/590939563.db2.gz KNBMGMOWSNAQMX-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880137767 590939566 /nfs/dbraw/zinc/93/95/66/590939566.db2.gz KNBMGMOWSNAQMX-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880137767 590939568 /nfs/dbraw/zinc/93/95/68/590939568.db2.gz KNBMGMOWSNAQMX-OLZOCXBDSA-N 2 2 222.332 0.805 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nccnc1OC ZINC000883131140 591546845 /nfs/dbraw/zinc/54/68/45/591546845.db2.gz JGWZXHDPCKEUBK-UHFFFAOYSA-N 2 2 248.330 0.530 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nccnc1OC ZINC000883131140 591546847 /nfs/dbraw/zinc/54/68/47/591546847.db2.gz JGWZXHDPCKEUBK-UHFFFAOYSA-N 2 2 248.330 0.530 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccncc1N ZINC000883131111 591546936 /nfs/dbraw/zinc/54/69/36/591546936.db2.gz HFFYLRYIRNOONU-UHFFFAOYSA-N 2 2 232.331 0.709 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccncc1N ZINC000883131111 591546940 /nfs/dbraw/zinc/54/69/40/591546940.db2.gz HFFYLRYIRNOONU-UHFFFAOYSA-N 2 2 232.331 0.709 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000883390715 591642546 /nfs/dbraw/zinc/64/25/46/591642546.db2.gz RXQCMFXNVUXOIR-IJLUTSLNSA-N 2 2 212.337 0.853 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000883390715 591642548 /nfs/dbraw/zinc/64/25/48/591642548.db2.gz RXQCMFXNVUXOIR-IJLUTSLNSA-N 2 2 212.337 0.853 20 30 BCEDLP C#CC[N@H+]1CCC[C@H](NC(NCC)=[NH+]CC)C1 ZINC000887324204 592480746 /nfs/dbraw/zinc/48/07/46/592480746.db2.gz VIVQGAHOPVYBLP-LBPRGKRZSA-N 2 2 236.363 0.659 20 30 BCEDLP C#CC[N@@H+]1CCC[C@H](NC(NCC)=[NH+]CC)C1 ZINC000887324204 592480749 /nfs/dbraw/zinc/48/07/49/592480749.db2.gz VIVQGAHOPVYBLP-LBPRGKRZSA-N 2 2 236.363 0.659 20 30 BCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987606295 636654589 /nfs/dbraw/zinc/65/45/89/636654589.db2.gz WFSMVAJEHOZNIC-NEPJUHHUSA-N 2 2 248.330 0.648 20 30 BCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989608067 636866201 /nfs/dbraw/zinc/86/62/01/636866201.db2.gz GYQBHOXMFHCSDR-WDEREUQCSA-N 2 2 246.314 0.164 20 30 BCEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989610001 636866434 /nfs/dbraw/zinc/86/64/34/636866434.db2.gz VNJZQKVPPFZQDZ-WDEREUQCSA-N 2 2 248.330 0.717 20 30 BCEDLP C=CCCOCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000231798798 641207078 /nfs/dbraw/zinc/20/70/78/641207078.db2.gz WTMPRRWPBRVKCL-OLZOCXBDSA-N 2 2 242.363 0.936 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030961202 641527244 /nfs/dbraw/zinc/52/72/44/641527244.db2.gz RUQKZIIDFXJSMV-AAEUAGOBSA-N 2 2 249.358 0.008 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030961202 641527247 /nfs/dbraw/zinc/52/72/47/641527247.db2.gz RUQKZIIDFXJSMV-AAEUAGOBSA-N 2 2 249.358 0.008 20 30 BCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939208148 642859061 /nfs/dbraw/zinc/85/90/61/642859061.db2.gz BMQJGXCNAXZFGX-PWSUYJOCSA-N 2 2 246.314 0.022 20 30 BCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939212575 642859288 /nfs/dbraw/zinc/85/92/88/642859288.db2.gz YZQINKCHQFAYKM-CMPLNLGQSA-N 2 2 248.330 0.575 20 30 BCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939212578 642859468 /nfs/dbraw/zinc/85/94/68/642859468.db2.gz YZQINKCHQFAYKM-ZYHUDNBSSA-N 2 2 248.330 0.575 20 30 BCEDLP C=C(Cl)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800516 643070962 /nfs/dbraw/zinc/07/09/62/643070962.db2.gz FVPJNZBVYNJRCK-UHFFFAOYSA-N 2 2 217.744 0.576 20 30 BCEDLP C=C(Cl)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800516 643070966 /nfs/dbraw/zinc/07/09/66/643070966.db2.gz FVPJNZBVYNJRCK-UHFFFAOYSA-N 2 2 217.744 0.576 20 30 BCEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970103570 643294622 /nfs/dbraw/zinc/29/46/22/643294622.db2.gz PLDMUKQBOUHGRB-LLVKDONJSA-N 2 2 248.330 0.719 20 30 BCEDLP C=CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000558249 643789585 /nfs/dbraw/zinc/78/95/85/643789585.db2.gz GAEXJLBTPSXYLU-NSHDSACASA-N 2 2 248.330 0.719 20 30 BCEDLP C=C(C)[C@H](CO)[NH+]1CCC([NH+](C)C)CC1 ZINC000929259694 643844470 /nfs/dbraw/zinc/84/44/70/643844470.db2.gz KEJNDPUDRCQQPO-LBPRGKRZSA-N 2 2 212.337 0.949 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426377 644418712 /nfs/dbraw/zinc/41/87/12/644418712.db2.gz TTXARFVIWOTKBO-RYUDHWBXSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@H](O)C[N@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426377 644418715 /nfs/dbraw/zinc/41/87/15/644418715.db2.gz TTXARFVIWOTKBO-RYUDHWBXSA-N 2 2 212.337 0.997 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000923566652 644502811 /nfs/dbraw/zinc/50/28/11/644502811.db2.gz MYBKPDASZDBYPH-CYBMUJFWSA-N 2 2 249.358 0.296 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000923566652 644502814 /nfs/dbraw/zinc/50/28/14/644502814.db2.gz MYBKPDASZDBYPH-CYBMUJFWSA-N 2 2 249.358 0.296 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000957344950 644721521 /nfs/dbraw/zinc/72/15/21/644721521.db2.gz ZFJJJOILXBDMCA-UHFFFAOYSA-N 2 2 249.358 0.412 20 30 BCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCOCCC#N)C[C@H]21 ZINC000385777683 711761495 /nfs/dbraw/zinc/76/14/95/711761495.db2.gz BTDGGPAXGZRNSR-GDNZZTSVSA-N 2 2 223.320 0.408 20 30 BCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCOCCC#N)C[C@H]21 ZINC000385777683 711761497 /nfs/dbraw/zinc/76/14/97/711761497.db2.gz BTDGGPAXGZRNSR-GDNZZTSVSA-N 2 2 223.320 0.408 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000384192590 710813320 /nfs/dbraw/zinc/81/33/20/710813320.db2.gz HTTSSQMYOFZLIE-CYBMUJFWSA-N 2 2 237.347 0.152 20 30 BCEDLP C[C@H](C#N)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384881486 710999416 /nfs/dbraw/zinc/99/94/16/710999416.db2.gz JXLTXULKGCEWHN-WYUUTHIRSA-N 2 2 223.320 0.407 20 30 BCEDLP C[C@H](C#N)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384881486 710999419 /nfs/dbraw/zinc/99/94/19/710999419.db2.gz JXLTXULKGCEWHN-WYUUTHIRSA-N 2 2 223.320 0.407 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384139771 710989868 /nfs/dbraw/zinc/98/98/68/710989868.db2.gz FMKMIZXYJKJJLG-CHWSQXEVSA-N 2 2 224.348 0.833 20 30 BCEDLP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384139771 710989871 /nfs/dbraw/zinc/98/98/71/710989871.db2.gz FMKMIZXYJKJJLG-CHWSQXEVSA-N 2 2 224.348 0.833 20 30 BCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038655765 710699063 /nfs/dbraw/zinc/69/90/63/710699063.db2.gz BOAHQPRDGRXAQX-ZDUSSCGKSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038655765 710699066 /nfs/dbraw/zinc/69/90/66/710699066.db2.gz BOAHQPRDGRXAQX-ZDUSSCGKSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc(OC)n1 ZINC000395176900 711205198 /nfs/dbraw/zinc/20/51/98/711205198.db2.gz GIVMJYDHVUKIKC-UHFFFAOYSA-N 2 2 248.330 0.530 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc(OC)n1 ZINC000395176900 711205203 /nfs/dbraw/zinc/20/52/03/711205203.db2.gz GIVMJYDHVUKIKC-UHFFFAOYSA-N 2 2 248.330 0.530 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584113961 343759536 /nfs/dbraw/zinc/75/95/36/343759536.db2.gz TVZIYICJMCZVIW-CYBMUJFWSA-N 2 2 237.347 0.364 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584113961 343759537 /nfs/dbraw/zinc/75/95/37/343759537.db2.gz TVZIYICJMCZVIW-CYBMUJFWSA-N 2 2 237.347 0.364 20 30 BCEDLP N#CC1(C[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000600714000 344362141 /nfs/dbraw/zinc/36/21/41/344362141.db2.gz NBYNMARRGZPCEU-GFCCVEGCSA-N 2 2 248.330 0.918 20 30 BCEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600715703 344362302 /nfs/dbraw/zinc/36/23/02/344362302.db2.gz HPYMFEGQVQTUCT-NWDGAFQWSA-N 2 2 248.330 0.916 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000081396378 345472624 /nfs/dbraw/zinc/47/26/24/345472624.db2.gz RNPNPQXOBYTXSE-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000081396378 345472625 /nfs/dbraw/zinc/47/26/25/345472625.db2.gz RNPNPQXOBYTXSE-ZDUSSCGKSA-N 2 2 249.358 0.248 20 30 BCEDLP CC#CC[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000641766685 362699734 /nfs/dbraw/zinc/69/97/34/362699734.db2.gz AHBBYVFMBADZRE-LLVKDONJSA-N 2 2 221.304 0.592 20 30 BCEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000580649699 365845237 /nfs/dbraw/zinc/84/52/37/365845237.db2.gz RMYOFAUCAMOKNM-ZDUSSCGKSA-N 2 2 231.299 0.636 20 30 BCEDLP C=C[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309678736 347134376 /nfs/dbraw/zinc/13/43/76/347134376.db2.gz YUPJBZGKHCMHDJ-VIFPVBQESA-N 2 2 241.360 0.841 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000309782533 347163073 /nfs/dbraw/zinc/16/30/73/347163073.db2.gz ROAXCQVVRRHCRI-SNVBAGLBSA-N 2 2 225.336 0.490 20 30 BCEDLP [NH2+]=C(NCCc1cn2ccccc2[nH+]1)NC1CC1 ZINC000195522259 347457398 /nfs/dbraw/zinc/45/73/98/347457398.db2.gz KGWIOHNMYLLKNN-UHFFFAOYSA-N 2 2 243.314 0.944 20 30 BCEDLP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)C#N)C1CC1 ZINC000591759828 347692476 /nfs/dbraw/zinc/69/24/76/347692476.db2.gz YROMUNIQLJCKSR-NSHDSACASA-N 2 2 225.336 0.581 20 30 BCEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)C#N)C1CC1 ZINC000591759828 347692478 /nfs/dbraw/zinc/69/24/78/347692478.db2.gz YROMUNIQLJCKSR-NSHDSACASA-N 2 2 225.336 0.581 20 30 BCEDLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595904660 348396335 /nfs/dbraw/zinc/39/63/35/348396335.db2.gz KCDYXPLYNVAAMY-QWRGUYRKSA-N 2 2 211.309 0.192 20 30 BCEDLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595904660 348396339 /nfs/dbraw/zinc/39/63/39/348396339.db2.gz KCDYXPLYNVAAMY-QWRGUYRKSA-N 2 2 211.309 0.192 20 30 BCEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@](O)(CC#N)C2)n1C ZINC000597155142 348666124 /nfs/dbraw/zinc/66/61/24/348666124.db2.gz GHVJYGDOYCYHSM-GFCCVEGCSA-N 2 2 234.303 0.579 20 30 BCEDLP Cc1[nH+]cc(C[N@H+]2CC[C@](O)(CC#N)C2)n1C ZINC000597155142 348666127 /nfs/dbraw/zinc/66/61/27/348666127.db2.gz GHVJYGDOYCYHSM-GFCCVEGCSA-N 2 2 234.303 0.579 20 30 BCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598722288 349028210 /nfs/dbraw/zinc/02/82/10/349028210.db2.gz ZYBPIHSQOXLLFT-NEPJUHHUSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598722288 349028211 /nfs/dbraw/zinc/02/82/11/349028211.db2.gz ZYBPIHSQOXLLFT-NEPJUHHUSA-N 2 2 239.363 0.971 20 30 BCEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599085279 349089994 /nfs/dbraw/zinc/08/99/94/349089994.db2.gz OIPFYQZLTIEGGD-IJLUTSLNSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599085279 349089997 /nfs/dbraw/zinc/08/99/97/349089997.db2.gz OIPFYQZLTIEGGD-IJLUTSLNSA-N 2 2 223.320 0.335 20 30 BCEDLP CC#CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336718467 350470373 /nfs/dbraw/zinc/47/03/73/350470373.db2.gz HHOQBRVSPZEIQP-UHFFFAOYSA-N 2 2 232.331 0.941 20 30 BCEDLP C=CC(C)(C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638454884 352264179 /nfs/dbraw/zinc/26/41/79/352264179.db2.gz NDHUAAMQUFHUAA-LLVKDONJSA-N 2 2 241.379 0.984 20 30 BCEDLP C=CC[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000638471337 352281663 /nfs/dbraw/zinc/28/16/63/352281663.db2.gz COKPLJBSVUCBGT-VXGBXAGGSA-N 2 2 239.363 0.690 20 30 BCEDLP C#CCC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000162486210 353322445 /nfs/dbraw/zinc/32/24/45/353322445.db2.gz PLZVMYDPYKEZJM-UHFFFAOYSA-N 2 2 232.331 0.524 20 30 BCEDLP C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000320627841 259445039 /nfs/dbraw/zinc/44/50/39/259445039.db2.gz JRTAYJYXGZXEEJ-XQQFMLRXSA-N 2 2 242.363 0.670 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000295032556 353796504 /nfs/dbraw/zinc/79/65/04/353796504.db2.gz OSRDFKMXHOLKHJ-NSHDSACASA-N 2 2 248.330 0.376 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000295032556 353796506 /nfs/dbraw/zinc/79/65/06/353796506.db2.gz OSRDFKMXHOLKHJ-NSHDSACASA-N 2 2 248.330 0.376 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@](C)(C[NH3+])C(C)C)C1=O ZINC000420326765 192230603 /nfs/dbraw/zinc/23/06/03/192230603.db2.gz XPUZPBGNFOSDIV-DGCLKSJQSA-N 2 2 239.363 0.736 20 30 BCEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767407 356696602 /nfs/dbraw/zinc/69/66/02/356696602.db2.gz QYZDYHGDUWILIG-OLZOCXBDSA-N 2 2 242.363 0.312 20 30 BCEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767407 356696603 /nfs/dbraw/zinc/69/66/03/356696603.db2.gz QYZDYHGDUWILIG-OLZOCXBDSA-N 2 2 242.363 0.312 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200116 134175126 /nfs/dbraw/zinc/17/51/26/134175126.db2.gz VNLIFQQOXLTMPQ-NWDGAFQWSA-N 2 2 239.363 0.561 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200116 134175127 /nfs/dbraw/zinc/17/51/27/134175127.db2.gz VNLIFQQOXLTMPQ-NWDGAFQWSA-N 2 2 239.363 0.561 20 30 BCEDLP C=CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358466743 134188485 /nfs/dbraw/zinc/18/84/85/134188485.db2.gz IQDYEJHHQNQSSE-UHFFFAOYSA-N 2 2 206.293 0.713 20 30 BCEDLP CC#CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131296888 358668216 /nfs/dbraw/zinc/66/82/16/358668216.db2.gz IVZGHRBRFWIULV-ZDUSSCGKSA-N 2 2 249.358 0.424 20 30 BCEDLP N#CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958547 358768555 /nfs/dbraw/zinc/76/85/55/358768555.db2.gz WIBIYCJCGUTHGE-UHFFFAOYSA-N 2 2 237.347 0.944 20 30 BCEDLP C#CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136068719 358862259 /nfs/dbraw/zinc/86/22/59/358862259.db2.gz VHKWHMBGVJFISM-AWEZNQCLSA-N 2 2 235.375 0.722 20 30 BCEDLP C#CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136068719 358862261 /nfs/dbraw/zinc/86/22/61/358862261.db2.gz VHKWHMBGVJFISM-AWEZNQCLSA-N 2 2 235.375 0.722 20 30 BCEDLP COCCC[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000579343877 366762691 /nfs/dbraw/zinc/76/26/91/366762691.db2.gz NINKSDRAYHOSOA-UHFFFAOYSA-N 2 2 225.336 0.991 20 30 BCEDLP C=CC[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629551837 361443593 /nfs/dbraw/zinc/44/35/93/361443593.db2.gz XIDVJPXNCDCKJY-VXGBXAGGSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CC[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629551837 361443599 /nfs/dbraw/zinc/44/35/99/361443599.db2.gz XIDVJPXNCDCKJY-VXGBXAGGSA-N 2 2 210.321 0.873 20 30 BCEDLP CC#CC[NH2+]Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000630618234 364354106 /nfs/dbraw/zinc/35/41/06/364354106.db2.gz RVCYRWDUBPSQTC-UHFFFAOYSA-N 2 2 247.346 0.487 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000579489992 366830748 /nfs/dbraw/zinc/83/07/48/366830748.db2.gz JVQVSERFFVHPOS-UTUOFQBUSA-N 2 2 228.336 0.232 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000579489992 366830750 /nfs/dbraw/zinc/83/07/50/366830750.db2.gz JVQVSERFFVHPOS-UTUOFQBUSA-N 2 2 228.336 0.232 20 30 BCEDLP N#Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)o1 ZINC000600769766 369563925 /nfs/dbraw/zinc/56/39/25/369563925.db2.gz QVEPLXPYPARPPM-NSHDSACASA-N 2 2 205.261 0.978 20 30 BCEDLP N#Cc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000602495444 369795931 /nfs/dbraw/zinc/79/59/31/369795931.db2.gz UTQMIIZGRBZPCO-QWRGUYRKSA-N 2 2 228.299 0.604 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779578 370528425 /nfs/dbraw/zinc/52/84/25/370528425.db2.gz GUOXPXUMTAFMBG-GMXVVIOVSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779578 370528430 /nfs/dbraw/zinc/52/84/30/370528430.db2.gz GUOXPXUMTAFMBG-GMXVVIOVSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230187 371419046 /nfs/dbraw/zinc/41/90/46/371419046.db2.gz PZSBAPPLAXFPCD-NWDGAFQWSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230187 371419050 /nfs/dbraw/zinc/41/90/50/371419050.db2.gz PZSBAPPLAXFPCD-NWDGAFQWSA-N 2 2 212.337 0.997 20 30 BCEDLP C#CCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000360633369 533045548 /nfs/dbraw/zinc/04/55/48/533045548.db2.gz BAMKNQOVSUSEHV-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000360633369 533045554 /nfs/dbraw/zinc/04/55/54/533045554.db2.gz BAMKNQOVSUSEHV-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP C=C1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000569351719 385016966 /nfs/dbraw/zinc/01/69/66/385016966.db2.gz MCHKRPGYSDNLIU-ZDUSSCGKSA-N 2 2 242.363 0.578 20 30 BCEDLP C=C1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000569351719 385016971 /nfs/dbraw/zinc/01/69/71/385016971.db2.gz MCHKRPGYSDNLIU-ZDUSSCGKSA-N 2 2 242.363 0.578 20 30 BCEDLP C#CC[NH+](CC#C)CCc1c[nH+]cn1C ZINC000298002585 533119518 /nfs/dbraw/zinc/11/95/18/533119518.db2.gz ZSWVEROEOBCLDE-UHFFFAOYSA-N 2 2 201.273 0.531 20 30 BCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1ccco1 ZINC000171411951 385482940 /nfs/dbraw/zinc/48/29/40/385482940.db2.gz OBDRROXBTOMGOU-UHFFFAOYSA-N 2 2 247.302 0.841 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000519425051 386443344 /nfs/dbraw/zinc/44/33/44/386443344.db2.gz HBMWHRRCGPMCPN-QWRGUYRKSA-N 2 2 235.335 0.824 20 30 BCEDLP C=CCn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000424167888 387857418 /nfs/dbraw/zinc/85/74/18/387857418.db2.gz DPQSDVDAZNXLLO-UHFFFAOYSA-N 2 2 235.335 0.648 20 30 BCEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000491405074 388292612 /nfs/dbraw/zinc/29/26/12/388292612.db2.gz GQGOIXZNYKQJDW-NSHDSACASA-N 2 2 237.347 0.198 20 30 BCEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000491405074 388292614 /nfs/dbraw/zinc/29/26/14/388292614.db2.gz GQGOIXZNYKQJDW-NSHDSACASA-N 2 2 237.347 0.198 20 30 BCEDLP C#C[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000491664175 388309114 /nfs/dbraw/zinc/30/91/14/388309114.db2.gz QLMDMFZUZBOTQH-ZDUSSCGKSA-N 2 2 233.315 0.916 20 30 BCEDLP C#C[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000491664175 388309115 /nfs/dbraw/zinc/30/91/15/388309115.db2.gz QLMDMFZUZBOTQH-ZDUSSCGKSA-N 2 2 233.315 0.916 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000491751077 388317908 /nfs/dbraw/zinc/31/79/08/388317908.db2.gz JQLFUDNPJVEILF-LLVKDONJSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC(C)(C)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000491751077 388317909 /nfs/dbraw/zinc/31/79/09/388317909.db2.gz JQLFUDNPJVEILF-LLVKDONJSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000491751077 388317910 /nfs/dbraw/zinc/31/79/10/388317910.db2.gz JQLFUDNPJVEILF-LLVKDONJSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000491751077 388317911 /nfs/dbraw/zinc/31/79/11/388317911.db2.gz JQLFUDNPJVEILF-LLVKDONJSA-N 2 2 212.337 0.643 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000491127307 388271805 /nfs/dbraw/zinc/27/18/05/388271805.db2.gz WEIHPIILEJCMFQ-NWDGAFQWSA-N 2 2 249.358 0.341 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000491127307 388271807 /nfs/dbraw/zinc/27/18/07/388271807.db2.gz WEIHPIILEJCMFQ-NWDGAFQWSA-N 2 2 249.358 0.341 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000564656811 388883874 /nfs/dbraw/zinc/88/38/74/388883874.db2.gz KELKTSUPEKUENH-SNVBAGLBSA-N 2 2 223.320 0.244 20 30 BCEDLP C[N@H+](CCCC#N)C1CC[NH+](CCO)CC1 ZINC000357644301 134184690 /nfs/dbraw/zinc/18/46/90/134184690.db2.gz CLCRJTYZNXBAIA-UHFFFAOYSA-N 2 2 225.336 0.679 20 30 BCEDLP C[N@@H+](CCCC#N)C1CC[NH+](CCO)CC1 ZINC000357644301 134184691 /nfs/dbraw/zinc/18/46/91/134184691.db2.gz CLCRJTYZNXBAIA-UHFFFAOYSA-N 2 2 225.336 0.679 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658432 135026789 /nfs/dbraw/zinc/02/67/89/135026789.db2.gz ZAIXFBDGYSWURG-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658432 135026791 /nfs/dbraw/zinc/02/67/91/135026791.db2.gz ZAIXFBDGYSWURG-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000112658432 135026793 /nfs/dbraw/zinc/02/67/93/135026793.db2.gz ZAIXFBDGYSWURG-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112658432 135026795 /nfs/dbraw/zinc/02/67/95/135026795.db2.gz ZAIXFBDGYSWURG-GFCCVEGCSA-N 2 2 239.363 0.562 20 30 BCEDLP CC[C@@H](C)NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000261951496 135113474 /nfs/dbraw/zinc/11/34/74/135113474.db2.gz HMNXDLORCFBBSJ-SECBINFHSA-N 2 2 209.297 0.586 20 30 BCEDLP CN(C(=[NH2+])NCc1c[nH+]cn1C)C1CC1 ZINC000262335533 135117899 /nfs/dbraw/zinc/11/78/99/135117899.db2.gz VYVASYNCFPALOY-UHFFFAOYSA-N 2 2 207.281 0.329 20 30 BCEDLP C=CCNC(NCC[NH+]1CCSCC1)=[NH+]C ZINC000262365204 135118252 /nfs/dbraw/zinc/11/82/52/135118252.db2.gz HOWSJIXXBIOEKK-UHFFFAOYSA-N 2 2 242.392 0.386 20 30 BCEDLP CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264074436 135131711 /nfs/dbraw/zinc/13/17/11/135131711.db2.gz FEDKSWSCCFLCHW-VIFPVBQESA-N 2 2 226.349 0.885 20 30 BCEDLP CN(C)C(=[NH+]CCn1cc[nH+]c1)N(C)C ZINC000264077745 135131810 /nfs/dbraw/zinc/13/18/10/135131810.db2.gz HUABORCMYPZQJC-UHFFFAOYSA-N 2 2 209.297 0.362 20 30 BCEDLP CNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264125508 135134472 /nfs/dbraw/zinc/13/44/72/135134472.db2.gz SBHOKDCGXOHBRQ-LLVKDONJSA-N 2 2 238.310 0.963 20 30 BCEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC2CC2)n1C ZINC000262620009 135308933 /nfs/dbraw/zinc/30/89/33/135308933.db2.gz CKTWCMQRUHIZIT-UHFFFAOYSA-N 2 2 236.323 0.053 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCOC(C)(C)C2)N1 ZINC000262648091 135310928 /nfs/dbraw/zinc/31/09/28/135310928.db2.gz JRVCTDYIFARXEN-SNVBAGLBSA-N 2 2 240.351 0.035 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCOC(C)(C)C2)N1 ZINC000262648091 135310931 /nfs/dbraw/zinc/31/09/31/135310931.db2.gz JRVCTDYIFARXEN-SNVBAGLBSA-N 2 2 240.351 0.035 20 30 BCEDLP C[C@H]1CCCN(C(=[NH2+])NCC[NH+]2CCC2)C1 ZINC000262791684 135318171 /nfs/dbraw/zinc/31/81/71/135318171.db2.gz OFLYQAQWMXXAHI-NSHDSACASA-N 2 2 224.352 0.739 20 30 BCEDLP C=CC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653092928 409692752 /nfs/dbraw/zinc/69/27/52/409692752.db2.gz PWSRKZFBWPEDMB-NXEZZACHSA-N 2 2 213.325 0.346 20 30 BCEDLP C=CC[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000662730231 409875430 /nfs/dbraw/zinc/87/54/30/409875430.db2.gz ADCRFANJBIZZHV-ZDUSSCGKSA-N 2 2 248.330 0.767 20 30 BCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754688 166327942 /nfs/dbraw/zinc/32/79/42/166327942.db2.gz XIDDAGLHUWBXMO-UHFFFAOYSA-N 2 2 237.347 0.610 20 30 BCEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467786 411279945 /nfs/dbraw/zinc/27/99/45/411279945.db2.gz SCKICJGZPNBUOA-GFCCVEGCSA-N 2 2 233.319 0.316 20 30 BCEDLP C=CCOCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000304276121 411288489 /nfs/dbraw/zinc/28/84/89/411288489.db2.gz WKZJZAVQWVKJFY-VXGBXAGGSA-N 2 2 228.336 0.546 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)COC ZINC000661239767 411741326 /nfs/dbraw/zinc/74/13/26/411741326.db2.gz JBPVWOLAELJWJV-OLZOCXBDSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)COC ZINC000661239767 411741327 /nfs/dbraw/zinc/74/13/27/411741327.db2.gz JBPVWOLAELJWJV-OLZOCXBDSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)COC ZINC000661239767 411741329 /nfs/dbraw/zinc/74/13/29/411741329.db2.gz JBPVWOLAELJWJV-OLZOCXBDSA-N 2 2 244.379 0.822 20 30 BCEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)COC ZINC000661239767 411741332 /nfs/dbraw/zinc/74/13/32/411741332.db2.gz JBPVWOLAELJWJV-OLZOCXBDSA-N 2 2 244.379 0.822 20 30 BCEDLP CC#CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153752 412008507 /nfs/dbraw/zinc/00/85/07/412008507.db2.gz UOFYEPKGVHGTTQ-CYBMUJFWSA-N 2 2 222.332 0.541 20 30 BCEDLP CC#CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153752 412008510 /nfs/dbraw/zinc/00/85/10/412008510.db2.gz UOFYEPKGVHGTTQ-CYBMUJFWSA-N 2 2 222.332 0.541 20 30 BCEDLP CC#CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153753 412009273 /nfs/dbraw/zinc/00/92/73/412009273.db2.gz UOFYEPKGVHGTTQ-ZDUSSCGKSA-N 2 2 222.332 0.541 20 30 BCEDLP CC#CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153753 412009275 /nfs/dbraw/zinc/00/92/75/412009275.db2.gz UOFYEPKGVHGTTQ-ZDUSSCGKSA-N 2 2 222.332 0.541 20 30 BCEDLP C=CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154986 412009681 /nfs/dbraw/zinc/00/96/81/412009681.db2.gz HXIHFIGYTALLOO-GFCCVEGCSA-N 2 2 210.321 0.703 20 30 BCEDLP C=CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154986 412009686 /nfs/dbraw/zinc/00/96/86/412009686.db2.gz HXIHFIGYTALLOO-GFCCVEGCSA-N 2 2 210.321 0.703 20 30 BCEDLP C=CC[C@@]1(C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662763038 412293670 /nfs/dbraw/zinc/29/36/70/412293670.db2.gz IXKTVQXHGRJPRM-ZDUSSCGKSA-N 2 2 237.347 0.459 20 30 BCEDLP C=CC[C@]1(C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662763037 412293796 /nfs/dbraw/zinc/29/37/96/412293796.db2.gz IXKTVQXHGRJPRM-CYBMUJFWSA-N 2 2 237.347 0.459 20 30 BCEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000211429990 173100196 /nfs/dbraw/zinc/10/01/96/173100196.db2.gz PLOGRYBUSXINPZ-LBPRGKRZSA-N 2 2 248.330 0.744 20 30 BCEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000211429990 173100200 /nfs/dbraw/zinc/10/02/00/173100200.db2.gz PLOGRYBUSXINPZ-LBPRGKRZSA-N 2 2 248.330 0.744 20 30 BCEDLP C=C1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000567482951 326201890 /nfs/dbraw/zinc/20/18/90/326201890.db2.gz CYITYRXFSVWIMZ-LBPRGKRZSA-N 2 2 212.337 0.951 20 30 BCEDLP C=C1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000567482951 326201892 /nfs/dbraw/zinc/20/18/92/326201892.db2.gz CYITYRXFSVWIMZ-LBPRGKRZSA-N 2 2 212.337 0.951 20 30 BCEDLP CNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000261830358 536305325 /nfs/dbraw/zinc/30/53/25/536305325.db2.gz ALYAKOALGQKWBQ-UHFFFAOYSA-N 2 2 207.281 0.254 20 30 BCEDLP C=CCNC(=[NH2+])NCC(C)(C)[NH+]1CCOCC1 ZINC000261890555 534843185 /nfs/dbraw/zinc/84/31/85/534843185.db2.gz TVSBGQDBPDSYIS-UHFFFAOYSA-N 2 2 240.351 0.188 20 30 BCEDLP C[C@H]1C[NH+]=C(NN=Cc2c[nH+]c3n2CCC3)N1 ZINC000853330205 588733782 /nfs/dbraw/zinc/73/37/82/588733782.db2.gz KOBOLSNQVRWGQI-QMMMGPOBSA-N 2 2 232.291 0.101 20 30 BCEDLP CN(C)c1ccc(C=[NH+]NC2=[NH+]CCN2)cc1 ZINC000012340204 582603698 /nfs/dbraw/zinc/60/36/98/582603698.db2.gz MNYUDAUUKWWBLP-UHFFFAOYSA-N 2 2 231.303 0.635 20 30 BCEDLP CC[NH+]1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895162422 583610776 /nfs/dbraw/zinc/61/07/76/583610776.db2.gz ZFIFQFKHJMFVLJ-NSHDSACASA-N 2 2 241.335 0.441 20 30 BCEDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796936 584674602 /nfs/dbraw/zinc/67/46/02/584674602.db2.gz WXCSPEOFVATKFB-ZYHUDNBSSA-N 2 2 248.330 0.526 20 30 BCEDLP C[C@@]1(C#N)C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903708094 584791368 /nfs/dbraw/zinc/79/13/68/584791368.db2.gz XQVWJLNHIIEHOX-GFCCVEGCSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@@]1(C#N)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903708094 584791369 /nfs/dbraw/zinc/79/13/69/584791369.db2.gz XQVWJLNHIIEHOX-GFCCVEGCSA-N 2 2 223.320 0.600 20 30 BCEDLP C[C@H]1C[N@H+](C)CC1=NN1CC[NH+](C)CC1 ZINC000752158014 585242863 /nfs/dbraw/zinc/24/28/63/585242863.db2.gz SJBVIBANYZIBAT-JTQLQIEISA-N 2 2 210.325 0.171 20 30 BCEDLP C[C@H]1C[N@@H+](C)CC1=NN1CC[NH+](C)CC1 ZINC000752158014 585242864 /nfs/dbraw/zinc/24/28/64/585242864.db2.gz SJBVIBANYZIBAT-JTQLQIEISA-N 2 2 210.325 0.171 20 30 BCEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000779339337 585751522 /nfs/dbraw/zinc/75/15/22/585751522.db2.gz BQELDIHXXHCJMN-LLVKDONJSA-N 2 2 212.337 0.997 20 30 BCEDLP Nc1ncc(C=[NH+]NCC[NH+]2CCCCC2)cn1 ZINC000781589932 585800002 /nfs/dbraw/zinc/80/00/02/585800002.db2.gz RGAVQCYZMAHVIG-UHFFFAOYSA-N 2 2 248.334 0.468 20 30 BCEDLP CN(C)c1ncc(C=[NH+]Nc2cc[nH+]cc2)n1C ZINC000811647280 586562614 /nfs/dbraw/zinc/56/26/14/586562614.db2.gz DMGQNQMMJVRBLG-UHFFFAOYSA-N 2 2 244.302 0.749 20 30 BCEDLP CC[C@H](O)CN[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000811652833 586563646 /nfs/dbraw/zinc/56/36/46/586563646.db2.gz ZGBPJNVKHUBSIP-NSHDSACASA-N 2 2 236.319 0.842 20 30 BCEDLP C[C@@H]1C[NH+]=C(N[NH+]=C2CCc3cc(N)ccc32)N1 ZINC000834970829 587774344 /nfs/dbraw/zinc/77/43/44/587774344.db2.gz QEGCZASEXZQNSM-MRVPVSSYSA-N 2 2 243.314 0.856 20 30 BCEDLP C[C@H]1C[NH+]=C(N[NH+]=C2CCc3cc(N)ccc32)N1 ZINC000834970831 587774426 /nfs/dbraw/zinc/77/44/26/587774426.db2.gz QEGCZASEXZQNSM-QMMMGPOBSA-N 2 2 243.314 0.856 20 30 BCEDLP Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc[nH+]1 ZINC000841166227 587948086 /nfs/dbraw/zinc/94/80/86/587948086.db2.gz MBDYIGABUZQRNP-ONGXEEELSA-N 2 2 245.286 0.045 20 30 BCEDLP C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)n1cc[nH+]c1 ZINC000846677492 588282313 /nfs/dbraw/zinc/28/23/13/588282313.db2.gz NEEXNCGNTHROET-VWYCJHECSA-N 2 2 247.302 0.062 20 30 BCEDLP C#CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000846937133 588297600 /nfs/dbraw/zinc/29/76/00/588297600.db2.gz JDKLSHTWASCHPN-UHFFFAOYSA-N 2 2 224.348 0.835 20 30 BCEDLP C=CCNC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037465 588446037 /nfs/dbraw/zinc/44/60/37/588446037.db2.gz IKEGOOOOVKJGIR-PHIMTYICSA-N 2 2 238.335 0.150 20 30 BCEDLP C=CCNC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037465 588446039 /nfs/dbraw/zinc/44/60/39/588446039.db2.gz IKEGOOOOVKJGIR-PHIMTYICSA-N 2 2 238.335 0.150 20 30 BCEDLP CNC(NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000849050157 588451938 /nfs/dbraw/zinc/45/19/38/588451938.db2.gz YLPXXKZOSRMTEK-GARJFASQSA-N 2 2 242.367 0.279 20 30 BCEDLP CNC(NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000849050157 588451939 /nfs/dbraw/zinc/45/19/39/588451939.db2.gz YLPXXKZOSRMTEK-GARJFASQSA-N 2 2 242.367 0.279 20 30 BCEDLP C#CCOCC[NH+]1CCC([NH+](C)C)CC1 ZINC000851725969 588617605 /nfs/dbraw/zinc/61/76/05/588617605.db2.gz JUHRWLSBNMLULH-UHFFFAOYSA-N 2 2 210.321 0.662 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000874468898 590114160 /nfs/dbraw/zinc/11/41/60/590114160.db2.gz UQJKUBCSLXFENP-UHFFFAOYSA-N 2 2 249.358 0.106 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572375 590809232 /nfs/dbraw/zinc/80/92/32/590809232.db2.gz PODYNTMEKSJGIY-NWDGAFQWSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572375 590809235 /nfs/dbraw/zinc/80/92/35/590809235.db2.gz PODYNTMEKSJGIY-NWDGAFQWSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572375 590809238 /nfs/dbraw/zinc/80/92/38/590809238.db2.gz PODYNTMEKSJGIY-NWDGAFQWSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572375 590809241 /nfs/dbraw/zinc/80/92/41/590809241.db2.gz PODYNTMEKSJGIY-NWDGAFQWSA-N 2 2 237.347 0.315 20 30 BCEDLP C#C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000309533062 633189097 /nfs/dbraw/zinc/18/90/97/633189097.db2.gz DMAPIIHQQNXYLG-VXGBXAGGSA-N 2 2 219.288 0.654 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987605222 636654521 /nfs/dbraw/zinc/65/45/21/636654521.db2.gz OTBFDOMUQKKPAP-RYUDHWBXSA-N 2 2 246.314 0.095 20 30 BCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987605223 636654754 /nfs/dbraw/zinc/65/47/54/636654754.db2.gz OTBFDOMUQKKPAP-VXGBXAGGSA-N 2 2 246.314 0.095 20 30 BCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989853065 636884884 /nfs/dbraw/zinc/88/48/84/636884884.db2.gz FBPFPPZFWOTOIE-VXGBXAGGSA-N 2 2 246.314 0.095 20 30 BCEDLP C#CC[NH2+]CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911763891 639791850 /nfs/dbraw/zinc/79/18/50/639791850.db2.gz OIHWSIRVNKSBGI-UHFFFAOYSA-N 2 2 243.310 0.346 20 30 BCEDLP C#CC1(O)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000931149489 640079119 /nfs/dbraw/zinc/07/91/19/640079119.db2.gz KLKNBGQFQNRVLR-UHFFFAOYSA-N 2 2 233.315 0.423 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584564 640122969 /nfs/dbraw/zinc/12/29/69/640122969.db2.gz PUWNQFMONBRKIN-NSHDSACASA-N 2 2 248.330 0.952 20 30 BCEDLP C[NH+]1C[C@@]2(C)C[NH+](C[C@H](O)CC#N)C[C@]2(C)C1 ZINC000931313827 640150671 /nfs/dbraw/zinc/15/06/71/640150671.db2.gz GLUUBMHWJRTZJA-AGIUHOORSA-N 2 2 237.347 0.535 20 30 BCEDLP COCC#CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933736034 640758758 /nfs/dbraw/zinc/75/87/58/640758758.db2.gz QNLSBWLTQCHHCS-QWHCGFSZSA-N 2 2 222.332 0.520 20 30 BCEDLP COCC#CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933736034 640758764 /nfs/dbraw/zinc/75/87/64/640758764.db2.gz QNLSBWLTQCHHCS-QWHCGFSZSA-N 2 2 222.332 0.520 20 30 BCEDLP COCC#CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933736034 640758779 /nfs/dbraw/zinc/75/87/79/640758779.db2.gz QNLSBWLTQCHHCS-QWHCGFSZSA-N 2 2 222.332 0.520 20 30 BCEDLP COCC#CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933736034 640758787 /nfs/dbraw/zinc/75/87/87/640758787.db2.gz QNLSBWLTQCHHCS-QWHCGFSZSA-N 2 2 222.332 0.520 20 30 BCEDLP C=CCCOCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000231798796 641207140 /nfs/dbraw/zinc/20/71/40/641207140.db2.gz WTMPRRWPBRVKCL-STQMWFEESA-N 2 2 242.363 0.936 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030959456 641524151 /nfs/dbraw/zinc/52/41/51/641524151.db2.gz HUZIBAHXQKUZTK-LBPRGKRZSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030959456 641524154 /nfs/dbraw/zinc/52/41/54/641524154.db2.gz HUZIBAHXQKUZTK-LBPRGKRZSA-N 2 2 249.358 0.152 20 30 BCEDLP C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031253584 641862243 /nfs/dbraw/zinc/86/22/43/641862243.db2.gz QXUHHQQHDLVVMN-NSHDSACASA-N 2 2 237.347 0.315 20 30 BCEDLP C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031253584 641862244 /nfs/dbraw/zinc/86/22/44/641862244.db2.gz QXUHHQQHDLVVMN-NSHDSACASA-N 2 2 237.347 0.315 20 30 BCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939208146 642858588 /nfs/dbraw/zinc/85/85/88/642858588.db2.gz BMQJGXCNAXZFGX-CMPLNLGQSA-N 2 2 246.314 0.022 20 30 BCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020637392 643249447 /nfs/dbraw/zinc/24/94/47/643249447.db2.gz VJFCPJRXGYXADU-MGCOHNPYSA-N 2 2 234.303 0.375 20 30 BCEDLP C=CC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997052382 643575789 /nfs/dbraw/zinc/57/57/89/643575789.db2.gz FWNJGCPEKGETEI-UHFFFAOYSA-N 2 2 248.330 0.719 20 30 BCEDLP C#CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997412522 643622072 /nfs/dbraw/zinc/62/20/72/643622072.db2.gz BFEWFDNIYPKEOK-UHFFFAOYSA-N 2 2 246.314 0.097 20 30 BCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000315853 643775560 /nfs/dbraw/zinc/77/55/60/643775560.db2.gz DJEQOTOJSQDLET-LLVKDONJSA-N 2 2 246.314 0.166 20 30 BCEDLP C=C(C)[C@@H](CO)[NH+]1CCC([NH+](C)C)CC1 ZINC000929259693 643844604 /nfs/dbraw/zinc/84/46/04/643844604.db2.gz KEJNDPUDRCQQPO-GFCCVEGCSA-N 2 2 212.337 0.949 20 30 BCEDLP N#Cc1cccc2c1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923393313 644402064 /nfs/dbraw/zinc/40/20/64/644402064.db2.gz OGVIXICVSYLKAB-UBHSHLNASA-N 2 2 243.310 0.724 20 30 BCEDLP N#Cc1cccc2c1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923393313 644402068 /nfs/dbraw/zinc/40/20/68/644402068.db2.gz OGVIXICVSYLKAB-UBHSHLNASA-N 2 2 243.310 0.724 20 30 BCEDLP C[C@@H]1CNC(NN=C2C[C@H](C)[N@H+](C)C2)=[NH+]1 ZINC000779797797 644715491 /nfs/dbraw/zinc/71/54/91/644715491.db2.gz JZTPMZOVCZSJFB-SFYZADRCSA-N 2 2 209.297 0.004 20 30 BCEDLP C[C@@H]1CNC(NN=C2C[C@H](C)[N@@H+](C)C2)=[NH+]1 ZINC000779797797 644715500 /nfs/dbraw/zinc/71/55/00/644715500.db2.gz JZTPMZOVCZSJFB-SFYZADRCSA-N 2 2 209.297 0.004 20 30 BCEDLP [NH2+]=C(NCCn1cc[nH+]c1)N1CCCCC1 ZINC000303792348 644848254 /nfs/dbraw/zinc/84/82/54/644848254.db2.gz YKHJDDPJRBADHS-UHFFFAOYSA-N 2 2 221.308 0.684 20 30 BCEDLP C#CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000928651107 645853756 /nfs/dbraw/zinc/85/37/56/645853756.db2.gz MUFHERFSJYDYJC-UHFFFAOYSA-N 2 2 246.314 0.097 20 30 BCEDLP CC[NH+]1CCC([N@H+](C)C[C@H](O)CC#N)CC1 ZINC000929781547 646307921 /nfs/dbraw/zinc/30/79/21/646307921.db2.gz XAYHXSRGTCHRRH-GFCCVEGCSA-N 2 2 225.336 0.677 20 30 BCEDLP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CC#N)CC1 ZINC000929781547 646307924 /nfs/dbraw/zinc/30/79/24/646307924.db2.gz XAYHXSRGTCHRRH-GFCCVEGCSA-N 2 2 225.336 0.677 20 30 BCEDLP N#CC1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925653011 646388702 /nfs/dbraw/zinc/38/87/02/646388702.db2.gz CKMYHFBASRNMRY-BPCQOVAHSA-N 2 2 237.347 0.894 20 30 BCEDLP C#CC[C@@H](COC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000716828424 712577166 /nfs/dbraw/zinc/57/71/66/712577166.db2.gz LBWYTRHFRRBAHP-AAEUAGOBSA-N 2 2 240.347 0.069 20 30 BCEDLP C#CC[C@@H](COC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000716828424 712577168 /nfs/dbraw/zinc/57/71/68/712577168.db2.gz LBWYTRHFRRBAHP-AAEUAGOBSA-N 2 2 240.347 0.069 20 30 BCEDLP C#C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000381466932 710641638 /nfs/dbraw/zinc/64/16/38/710641638.db2.gz MYCYJUSFHJUMFE-OLZOCXBDSA-N 2 2 222.332 0.851 20 30 BCEDLP C#C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000381466933 710641628 /nfs/dbraw/zinc/64/16/28/710641628.db2.gz MYCYJUSFHJUMFE-QWHCGFSZSA-N 2 2 222.332 0.851 20 30 BCEDLP C#CC[C@H](COC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000716828433 712577356 /nfs/dbraw/zinc/57/73/56/712577356.db2.gz LBWYTRHFRRBAHP-YPMHNXCESA-N 2 2 240.347 0.069 20 30 BCEDLP C#CC[C@H](COC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000716828433 712577357 /nfs/dbraw/zinc/57/73/57/712577357.db2.gz LBWYTRHFRRBAHP-YPMHNXCESA-N 2 2 240.347 0.069 20 30 BCEDLP CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000195522761 712730729 /nfs/dbraw/zinc/73/07/29/712730729.db2.gz HNBAFDJJKLLETK-UHFFFAOYSA-N 2 2 229.287 0.906 20 30 BCEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602607087 349628876 /nfs/dbraw/zinc/62/88/76/349628876.db2.gz GSTBKBDBQOHZJX-LLVKDONJSA-N 2 2 239.363 0.971 20 30 BCEDLP N#CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000600734527 344364725 /nfs/dbraw/zinc/36/47/25/344364725.db2.gz DKTZGGNFSYISCC-GFCCVEGCSA-N 2 2 237.347 0.727 20 30 BCEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)o1 ZINC000600768273 344370292 /nfs/dbraw/zinc/37/02/92/344370292.db2.gz FFPUHOPWNJBUQF-NSHDSACASA-N 2 2 221.260 0.229 20 30 BCEDLP C=CC[N@@H+](CCOC)CC12CC(C1)C[NH2+]2 ZINC000634994856 345182733 /nfs/dbraw/zinc/18/27/33/345182733.db2.gz OLAHQCMBUAWSIK-UHFFFAOYSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CC[N@H+](CCOC)CC12CC(C1)C[NH2+]2 ZINC000634994856 345182734 /nfs/dbraw/zinc/18/27/34/345182734.db2.gz OLAHQCMBUAWSIK-UHFFFAOYSA-N 2 2 210.321 0.873 20 30 BCEDLP C#C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280421 345227217 /nfs/dbraw/zinc/22/72/17/345227217.db2.gz XZPCLFHMMGAGCZ-CHWSQXEVSA-N 2 2 224.348 0.689 20 30 BCEDLP C#C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000381280421 345227220 /nfs/dbraw/zinc/22/72/20/345227220.db2.gz XZPCLFHMMGAGCZ-CHWSQXEVSA-N 2 2 224.348 0.689 20 30 BCEDLP C#C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280425 345227460 /nfs/dbraw/zinc/22/74/60/345227460.db2.gz XZPCLFHMMGAGCZ-QWHCGFSZSA-N 2 2 224.348 0.689 20 30 BCEDLP C#C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000381280425 345227461 /nfs/dbraw/zinc/22/74/61/345227461.db2.gz XZPCLFHMMGAGCZ-QWHCGFSZSA-N 2 2 224.348 0.689 20 30 BCEDLP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093175003 166233335 /nfs/dbraw/zinc/23/33/35/166233335.db2.gz GCHJFWCDVNVDLL-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093175003 166233336 /nfs/dbraw/zinc/23/33/36/166233336.db2.gz GCHJFWCDVNVDLL-UHFFFAOYSA-N 2 2 239.363 0.658 20 30 BCEDLP N#Cc1cnccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000592471478 347790025 /nfs/dbraw/zinc/79/00/25/347790025.db2.gz KUZFZJAVWYITOI-SNVBAGLBSA-N 2 2 216.288 0.734 20 30 BCEDLP N#Cc1cnccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000592471478 347790029 /nfs/dbraw/zinc/79/00/29/347790029.db2.gz KUZFZJAVWYITOI-SNVBAGLBSA-N 2 2 216.288 0.734 20 30 BCEDLP N#Cc1cccc2c1C[N@H+](CCOCC[NH3+])C2 ZINC000593729728 347937842 /nfs/dbraw/zinc/93/78/42/347937842.db2.gz JQNSJNNMXRGWSF-UHFFFAOYSA-N 2 2 231.299 0.849 20 30 BCEDLP N#Cc1cccc2c1C[N@@H+](CCOCC[NH3+])C2 ZINC000593729728 347937845 /nfs/dbraw/zinc/93/78/45/347937845.db2.gz JQNSJNNMXRGWSF-UHFFFAOYSA-N 2 2 231.299 0.849 20 30 BCEDLP C=C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594556898 348071278 /nfs/dbraw/zinc/07/12/78/348071278.db2.gz VKDWWNVECMVZDG-OUAUKWLOSA-N 2 2 226.320 0.644 20 30 BCEDLP C#CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270470668 187399169 /nfs/dbraw/zinc/39/91/69/187399169.db2.gz BXCWWETYFTZPLF-UHFFFAOYSA-N 2 2 218.304 0.565 20 30 BCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000598715692 349026073 /nfs/dbraw/zinc/02/60/73/349026073.db2.gz SENSOKCWVFURCV-LLVKDONJSA-N 2 2 236.319 0.773 20 30 BCEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598721532 349027788 /nfs/dbraw/zinc/02/77/88/349027788.db2.gz WUSSODGTEUCHRK-RYUDHWBXSA-N 2 2 239.363 0.971 20 30 BCEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598721532 349027791 /nfs/dbraw/zinc/02/77/91/349027791.db2.gz WUSSODGTEUCHRK-RYUDHWBXSA-N 2 2 239.363 0.971 20 30 BCEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599085280 349089760 /nfs/dbraw/zinc/08/97/60/349089760.db2.gz OIPFYQZLTIEGGD-QJPTWQEYSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599085280 349089761 /nfs/dbraw/zinc/08/97/61/349089761.db2.gz OIPFYQZLTIEGGD-QJPTWQEYSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599093279 349092066 /nfs/dbraw/zinc/09/20/66/349092066.db2.gz OIPFYQZLTIEGGD-UTUOFQBUSA-N 2 2 223.320 0.335 20 30 BCEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599093279 349092068 /nfs/dbraw/zinc/09/20/68/349092068.db2.gz OIPFYQZLTIEGGD-UTUOFQBUSA-N 2 2 223.320 0.335 20 30 BCEDLP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000599199662 349116604 /nfs/dbraw/zinc/11/66/04/349116604.db2.gz OUDQQRIQHKJOKA-LBPRGKRZSA-N 2 2 246.314 0.162 20 30 BCEDLP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000599199662 349116605 /nfs/dbraw/zinc/11/66/05/349116605.db2.gz OUDQQRIQHKJOKA-LBPRGKRZSA-N 2 2 246.314 0.162 20 30 BCEDLP COCC[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000336746310 352737791 /nfs/dbraw/zinc/73/77/91/352737791.db2.gz BDKPUDHIDFEXBO-UHFFFAOYSA-N 2 2 211.309 0.600 20 30 BCEDLP Cc1cc(N[C@H]2CC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399007102 353551811 /nfs/dbraw/zinc/55/18/11/353551811.db2.gz ZIDQIDXRWIKKMB-JTQLQIEISA-N 2 2 202.261 0.457 20 30 BCEDLP C=CCN1CC[C@@H]([NH2+][C@@](C)(C[NH3+])C(C)C)C1=O ZINC000420326767 192230287 /nfs/dbraw/zinc/23/02/87/192230287.db2.gz XPUZPBGNFOSDIV-YPMHNXCESA-N 2 2 239.363 0.736 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+](C)CCC[NH2+]C)C1=O ZINC000420388546 192234606 /nfs/dbraw/zinc/23/46/06/192234606.db2.gz LGCAREUNAPVFJL-NSHDSACASA-N 2 2 225.336 0.315 20 30 BCEDLP C=CCN1CC[C@H]([N@H+](C)CCC[NH2+]C)C1=O ZINC000420388546 192234608 /nfs/dbraw/zinc/23/46/08/192234608.db2.gz LGCAREUNAPVFJL-NSHDSACASA-N 2 2 225.336 0.315 20 30 BCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513925 134161423 /nfs/dbraw/zinc/16/14/23/134161423.db2.gz YIEPPZCFLYJPGA-LLVKDONJSA-N 2 2 225.336 0.172 20 30 BCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513925 134161424 /nfs/dbraw/zinc/16/14/24/134161424.db2.gz YIEPPZCFLYJPGA-LLVKDONJSA-N 2 2 225.336 0.172 20 30 BCEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582367210 357108346 /nfs/dbraw/zinc/10/83/46/357108346.db2.gz RWTZFVBVWNSVLT-NEPJUHHUSA-N 2 2 239.363 0.690 20 30 BCEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582367210 357108348 /nfs/dbraw/zinc/10/83/48/357108348.db2.gz RWTZFVBVWNSVLT-NEPJUHHUSA-N 2 2 239.363 0.690 20 30 BCEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677421 358066085 /nfs/dbraw/zinc/06/60/85/358066085.db2.gz FHTAWKSCBXFBMR-WCQYABFASA-N 2 2 236.363 0.514 20 30 BCEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677421 358066088 /nfs/dbraw/zinc/06/60/88/358066088.db2.gz FHTAWKSCBXFBMR-WCQYABFASA-N 2 2 236.363 0.514 20 30 BCEDLP C[C@@H]1C[NH+]=C(NCCCn2cc[nH+]c2)N1 ZINC000285145487 359320135 /nfs/dbraw/zinc/32/01/35/359320135.db2.gz RMRXNYGVTXDREM-SECBINFHSA-N 2 2 207.281 0.211 20 30 BCEDLP C=CC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629551836 361444201 /nfs/dbraw/zinc/44/42/01/361444201.db2.gz XIDVJPXNCDCKJY-RYUDHWBXSA-N 2 2 210.321 0.873 20 30 BCEDLP C=CC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629551836 361444204 /nfs/dbraw/zinc/44/42/04/361444204.db2.gz XIDVJPXNCDCKJY-RYUDHWBXSA-N 2 2 210.321 0.873 20 30 BCEDLP N#CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000579943211 367094043 /nfs/dbraw/zinc/09/40/43/367094043.db2.gz GDOAWKKLMHCQFB-CHWSQXEVSA-N 2 2 237.347 0.867 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000581202170 367293078 /nfs/dbraw/zinc/29/30/78/367293078.db2.gz SBDCJUOWCYSQFT-NEPJUHHUSA-N 2 2 243.351 0.207 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000581202170 367293083 /nfs/dbraw/zinc/29/30/83/367293083.db2.gz SBDCJUOWCYSQFT-NEPJUHHUSA-N 2 2 243.351 0.207 20 30 BCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107573844 369354048 /nfs/dbraw/zinc/35/40/48/369354048.db2.gz CWIWJWCOWWEHMH-CHWSQXEVSA-N 2 2 249.358 0.338 20 30 BCEDLP C[NH2+]CCOCC[N@H+](C)Cc1ccncc1C#N ZINC000600727293 369560623 /nfs/dbraw/zinc/56/06/23/369560623.db2.gz KQNYIISUZWZPKM-UHFFFAOYSA-N 2 2 248.330 0.621 20 30 BCEDLP C[NH2+]CCOCC[N@@H+](C)Cc1ccncc1C#N ZINC000600727293 369560625 /nfs/dbraw/zinc/56/06/25/369560625.db2.gz KQNYIISUZWZPKM-UHFFFAOYSA-N 2 2 248.330 0.621 20 30 BCEDLP C[N@@H+]1CCN(Cc2ccc(C#N)o2)[C@H](C[NH3+])C1 ZINC000600769890 369563818 /nfs/dbraw/zinc/56/38/18/369563818.db2.gz UIKUGSMBEJLLRA-SNVBAGLBSA-N 2 2 234.303 0.226 20 30 BCEDLP C[N@H+]1CCN(Cc2ccc(C#N)o2)[C@H](C[NH3+])C1 ZINC000600769890 369563823 /nfs/dbraw/zinc/56/38/23/369563823.db2.gz UIKUGSMBEJLLRA-SNVBAGLBSA-N 2 2 234.303 0.226 20 30 BCEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000602605042 369826093 /nfs/dbraw/zinc/82/60/93/369826093.db2.gz RUWKMIYMXQNFOM-GFCCVEGCSA-N 2 2 246.314 0.776 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779579 370528973 /nfs/dbraw/zinc/52/89/73/370528973.db2.gz GUOXPXUMTAFMBG-GVXVVHGQSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779579 370528978 /nfs/dbraw/zinc/52/89/78/370528978.db2.gz GUOXPXUMTAFMBG-GVXVVHGQSA-N 2 2 237.347 0.490 20 30 BCEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624337852 371486488 /nfs/dbraw/zinc/48/64/88/371486488.db2.gz PZSBAPPLAXFPCD-NEPJUHHUSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624337852 371486491 /nfs/dbraw/zinc/48/64/91/371486491.db2.gz PZSBAPPLAXFPCD-NEPJUHHUSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832403 372616706 /nfs/dbraw/zinc/61/67/06/372616706.db2.gz FKUJUNKRWFAJQP-NEPJUHHUSA-N 2 2 239.363 0.880 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832403 372616714 /nfs/dbraw/zinc/61/67/14/372616714.db2.gz FKUJUNKRWFAJQP-NEPJUHHUSA-N 2 2 239.363 0.880 20 30 BCEDLP CC#CCN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177384789 206006986 /nfs/dbraw/zinc/00/69/86/206006986.db2.gz ZXCNHKRCHSTAJR-UHFFFAOYSA-N 2 2 237.391 0.968 20 30 BCEDLP CC#CCN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177384789 206006990 /nfs/dbraw/zinc/00/69/90/206006990.db2.gz ZXCNHKRCHSTAJR-UHFFFAOYSA-N 2 2 237.391 0.968 20 30 BCEDLP C#C[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000491483436 384989620 /nfs/dbraw/zinc/98/96/20/384989620.db2.gz BVWXUADXNZCDHN-GFCCVEGCSA-N 2 2 219.288 0.526 20 30 BCEDLP C#C[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000491483436 384989628 /nfs/dbraw/zinc/98/96/28/384989628.db2.gz BVWXUADXNZCDHN-GFCCVEGCSA-N 2 2 219.288 0.526 20 30 BCEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000408383768 385068866 /nfs/dbraw/zinc/06/88/66/385068866.db2.gz XVOYRIYZOPCKSA-LLVKDONJSA-N 2 2 238.335 0.042 20 30 BCEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC000408383768 385068875 /nfs/dbraw/zinc/06/88/75/385068875.db2.gz XVOYRIYZOPCKSA-LLVKDONJSA-N 2 2 238.335 0.042 20 30 BCEDLP C#CCN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370649 533113025 /nfs/dbraw/zinc/11/30/25/533113025.db2.gz RSVYJHUQEFOYIQ-AWEZNQCLSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370649 533113027 /nfs/dbraw/zinc/11/30/27/533113027.db2.gz RSVYJHUQEFOYIQ-AWEZNQCLSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370653 533112189 /nfs/dbraw/zinc/11/21/89/533112189.db2.gz RSVYJHUQEFOYIQ-CQSZACIVSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370653 533112192 /nfs/dbraw/zinc/11/21/92/533112192.db2.gz RSVYJHUQEFOYIQ-CQSZACIVSA-N 2 2 235.375 0.720 20 30 BCEDLP C#CCNC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000491657005 385376440 /nfs/dbraw/zinc/37/64/40/385376440.db2.gz FPEDLLSVFCEBSN-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000491657005 385376444 /nfs/dbraw/zinc/37/64/44/385376444.db2.gz FPEDLLSVFCEBSN-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000491657005 385376447 /nfs/dbraw/zinc/37/64/47/385376447.db2.gz FPEDLLSVFCEBSN-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CCNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000491657005 385376451 /nfs/dbraw/zinc/37/64/51/385376451.db2.gz FPEDLLSVFCEBSN-QWHCGFSZSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@@H+](CC)Cc1c[nH+]c(N(C)C)n1C ZINC000491672641 385440315 /nfs/dbraw/zinc/44/03/15/385440315.db2.gz HMGMZDBMEGNWSS-UHFFFAOYSA-N 2 2 220.320 0.941 20 30 BCEDLP C#CC[N@H+](CC)Cc1c[nH+]c(N(C)C)n1C ZINC000491672641 385440317 /nfs/dbraw/zinc/44/03/17/385440317.db2.gz HMGMZDBMEGNWSS-UHFFFAOYSA-N 2 2 220.320 0.941 20 30 BCEDLP C=CCNC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171146069 385470076 /nfs/dbraw/zinc/47/00/76/385470076.db2.gz PJTILVOPUOZPQE-UHFFFAOYSA-N 2 2 240.351 0.188 20 30 BCEDLP C=CCNC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000171146069 385470081 /nfs/dbraw/zinc/47/00/81/385470081.db2.gz PJTILVOPUOZPQE-UHFFFAOYSA-N 2 2 240.351 0.188 20 30 BCEDLP C[C@@H]1C[NH+](CCn2cc[nH+]c2)C[C@@H](C)N1CC#N ZINC000602854191 385828193 /nfs/dbraw/zinc/82/81/93/385828193.db2.gz NXHIZNLEJUYHKU-CHWSQXEVSA-N 2 2 247.346 0.801 20 30 BCEDLP C=CCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814591 385869247 /nfs/dbraw/zinc/86/92/47/385869247.db2.gz UYHGBRBXKXBKTM-UHFFFAOYSA-N 2 2 237.347 0.505 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814591 385869250 /nfs/dbraw/zinc/86/92/50/385869250.db2.gz UYHGBRBXKXBKTM-UHFFFAOYSA-N 2 2 237.347 0.505 20 30 BCEDLP C[NH2+]C[C@@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000398987362 386320776 /nfs/dbraw/zinc/32/07/76/386320776.db2.gz IEKXWZGRZFUPRG-SECBINFHSA-N 2 2 218.304 0.951 20 30 BCEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000519425052 386443540 /nfs/dbraw/zinc/44/35/40/386443540.db2.gz HBMWHRRCGPMCPN-WDEREUQCSA-N 2 2 235.335 0.824 20 30 BCEDLP Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000399015624 386550022 /nfs/dbraw/zinc/55/00/22/386550022.db2.gz BWZRXXYYBCWKDF-CYBMUJFWSA-N 2 2 248.330 0.408 20 30 BCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442780333 387840038 /nfs/dbraw/zinc/84/00/38/387840038.db2.gz KFMGSVQWHBFCGH-RWMBFGLXSA-N 2 2 236.363 0.514 20 30 BCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442780333 387840041 /nfs/dbraw/zinc/84/00/41/387840041.db2.gz KFMGSVQWHBFCGH-RWMBFGLXSA-N 2 2 236.363 0.514 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636121 387859363 /nfs/dbraw/zinc/85/93/63/387859363.db2.gz AEZHVDCIRSFOPG-SDDRHHMPSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636121 387859368 /nfs/dbraw/zinc/85/93/68/387859368.db2.gz AEZHVDCIRSFOPG-SDDRHHMPSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193636121 387859370 /nfs/dbraw/zinc/85/93/70/387859370.db2.gz AEZHVDCIRSFOPG-SDDRHHMPSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193636121 387859373 /nfs/dbraw/zinc/85/93/73/387859373.db2.gz AEZHVDCIRSFOPG-SDDRHHMPSA-N 2 2 237.347 0.171 20 30 BCEDLP C=CCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424293534 387954123 /nfs/dbraw/zinc/95/41/23/387954123.db2.gz OABHWIFYAIRMIP-NWDGAFQWSA-N 2 2 220.320 0.723 20 30 BCEDLP C=CCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424293534 387954129 /nfs/dbraw/zinc/95/41/29/387954129.db2.gz OABHWIFYAIRMIP-NWDGAFQWSA-N 2 2 220.320 0.723 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423160248 387940542 /nfs/dbraw/zinc/94/05/42/387940542.db2.gz ZJWQWKDRWXVOGY-LPWJVIDDSA-N 2 2 240.347 0.687 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000453322903 388046169 /nfs/dbraw/zinc/04/61/69/388046169.db2.gz AGJXBMTUNPRDIK-USZNOCQGSA-N 2 2 210.321 0.870 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000453322903 388046172 /nfs/dbraw/zinc/04/61/72/388046172.db2.gz AGJXBMTUNPRDIK-USZNOCQGSA-N 2 2 210.321 0.870 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000491127296 388271737 /nfs/dbraw/zinc/27/17/37/388271737.db2.gz WEIHPIILEJCMFQ-NEPJUHHUSA-N 2 2 249.358 0.341 20 30 BCEDLP C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000491127296 388271739 /nfs/dbraw/zinc/27/17/39/388271739.db2.gz WEIHPIILEJCMFQ-NEPJUHHUSA-N 2 2 249.358 0.341 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000521063743 388560615 /nfs/dbraw/zinc/56/06/15/388560615.db2.gz YVOUOBZCDBZFPQ-GHMZBOCLSA-N 2 2 213.325 0.581 20 30 BCEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000521063743 388560618 /nfs/dbraw/zinc/56/06/18/388560618.db2.gz YVOUOBZCDBZFPQ-GHMZBOCLSA-N 2 2 213.325 0.581 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000521063746 388560890 /nfs/dbraw/zinc/56/08/90/388560890.db2.gz YVOUOBZCDBZFPQ-QWRGUYRKSA-N 2 2 213.325 0.581 20 30 BCEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000521063746 388560894 /nfs/dbraw/zinc/56/08/94/388560894.db2.gz YVOUOBZCDBZFPQ-QWRGUYRKSA-N 2 2 213.325 0.581 20 30 BCEDLP C[NH+]=C(NCC[NH+]1CCC1)NC[C@H]1CCCO1 ZINC000261732771 533478345 /nfs/dbraw/zinc/47/83/45/533478345.db2.gz OKLVSRQEAAQRAR-LLVKDONJSA-N 2 2 240.351 0.036 20 30 BCEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303973994 134235367 /nfs/dbraw/zinc/23/53/67/134235367.db2.gz HJHDFWYFVOZJHJ-NSHDSACASA-N 2 2 240.351 0.118 20 30 BCEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303973994 134235368 /nfs/dbraw/zinc/23/53/68/134235368.db2.gz HJHDFWYFVOZJHJ-NSHDSACASA-N 2 2 240.351 0.118 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123431434 134243670 /nfs/dbraw/zinc/24/36/70/134243670.db2.gz KENOQZZDSPQHQN-NEPJUHHUSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123431434 134243671 /nfs/dbraw/zinc/24/36/71/134243671.db2.gz KENOQZZDSPQHQN-NEPJUHHUSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123431434 134243672 /nfs/dbraw/zinc/24/36/72/134243672.db2.gz KENOQZZDSPQHQN-NEPJUHHUSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123431434 134243673 /nfs/dbraw/zinc/24/36/73/134243673.db2.gz KENOQZZDSPQHQN-NEPJUHHUSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123431226 134243755 /nfs/dbraw/zinc/24/37/55/134243755.db2.gz KENOQZZDSPQHQN-NWDGAFQWSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123431226 134243756 /nfs/dbraw/zinc/24/37/56/134243756.db2.gz KENOQZZDSPQHQN-NWDGAFQWSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123431226 134243757 /nfs/dbraw/zinc/24/37/57/134243757.db2.gz KENOQZZDSPQHQN-NWDGAFQWSA-N 2 2 239.363 0.703 20 30 BCEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123431226 134243758 /nfs/dbraw/zinc/24/37/58/134243758.db2.gz KENOQZZDSPQHQN-NWDGAFQWSA-N 2 2 239.363 0.703 20 30 BCEDLP C=C(C)CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000262545549 135119624 /nfs/dbraw/zinc/11/96/24/135119624.db2.gz VANSEGDUPWXKNW-UHFFFAOYSA-N 2 2 242.392 0.516 20 30 BCEDLP CN1CC[NH+]=C1NCCc1[nH]c2ccccc2[nH+]1 ZINC000262630207 135119642 /nfs/dbraw/zinc/11/96/42/135119642.db2.gz FMEGSWURJSDRTF-UHFFFAOYSA-N 2 2 243.314 0.996 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472781 135142531 /nfs/dbraw/zinc/14/25/31/135142531.db2.gz CYAAAXWRLREJEV-SNVBAGLBSA-N 2 2 213.325 0.218 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472781 135142533 /nfs/dbraw/zinc/14/25/33/135142533.db2.gz CYAAAXWRLREJEV-SNVBAGLBSA-N 2 2 213.325 0.218 20 30 BCEDLP C[N@H+](CCNC(N)=[NH2+])Cc1ccc(F)cc1 ZINC000267253958 135152587 /nfs/dbraw/zinc/15/25/87/135152587.db2.gz BYMUFWYLZCXZFS-UHFFFAOYSA-N 2 2 224.283 0.531 20 30 BCEDLP C[N@@H+](CCNC(N)=[NH2+])Cc1ccc(F)cc1 ZINC000267253958 135152588 /nfs/dbraw/zinc/15/25/88/135152588.db2.gz BYMUFWYLZCXZFS-UHFFFAOYSA-N 2 2 224.283 0.531 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261559715 135200610 /nfs/dbraw/zinc/20/06/10/135200610.db2.gz TZIUQACDXBXONG-YPMHNXCESA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261559715 135200611 /nfs/dbraw/zinc/20/06/11/135200611.db2.gz TZIUQACDXBXONG-YPMHNXCESA-N 2 2 237.347 0.363 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561965 135203967 /nfs/dbraw/zinc/20/39/67/135203967.db2.gz VUUHTMIWXFYHHS-TUAOUCFPSA-N 2 2 237.347 0.218 20 30 BCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561965 135203968 /nfs/dbraw/zinc/20/39/68/135203968.db2.gz VUUHTMIWXFYHHS-TUAOUCFPSA-N 2 2 237.347 0.218 20 30 BCEDLP C[C@@H]1COCC[N@@H+]1CC[NH+]=C(N(C)C)N(C)C ZINC000261967537 135267263 /nfs/dbraw/zinc/26/72/63/135267263.db2.gz BTZITGZQQOYLDS-LLVKDONJSA-N 2 2 242.367 0.186 20 30 BCEDLP C[C@@H]1COCC[N@H+]1CC[NH+]=C(N(C)C)N(C)C ZINC000261967537 135267264 /nfs/dbraw/zinc/26/72/64/135267264.db2.gz BTZITGZQQOYLDS-LLVKDONJSA-N 2 2 242.367 0.186 20 30 BCEDLP C[C@H]1C[NH+]=C(NCCc2cn3c([nH+]2)CCCC3)N1 ZINC000262625050 135309562 /nfs/dbraw/zinc/30/95/62/135309562.db2.gz DGIYDBPRWAGMIH-JTQLQIEISA-N 2 2 247.346 0.699 20 30 BCEDLP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCOCC2(C)C)N1 ZINC000262654937 135311887 /nfs/dbraw/zinc/31/18/87/135311887.db2.gz LIDAEURVMFGKEH-JTQLQIEISA-N 2 2 240.351 0.035 20 30 BCEDLP C[C@H]1C[NH+]=C(NCC[N@H+]2CCOCC2(C)C)N1 ZINC000262654937 135311889 /nfs/dbraw/zinc/31/18/89/135311889.db2.gz LIDAEURVMFGKEH-JTQLQIEISA-N 2 2 240.351 0.035 20 30 BCEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[NH+]2CCC2)C1 ZINC000262791682 135318440 /nfs/dbraw/zinc/31/84/40/135318440.db2.gz OFLYQAQWMXXAHI-LLVKDONJSA-N 2 2 224.352 0.739 20 30 BCEDLP [NH2+]=C(NCCn1cc[nH+]c1)NCC1CCC1 ZINC000263242476 135341770 /nfs/dbraw/zinc/34/17/70/135341770.db2.gz LSTCERLHQSNLLH-UHFFFAOYSA-N 2 2 221.308 0.588 20 30 BCEDLP NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264266885 135361766 /nfs/dbraw/zinc/36/17/66/135361766.db2.gz KTVSHCPJAOZTDX-UHFFFAOYSA-N 2 2 207.281 0.547 20 30 BCEDLP C#CC[N@H+](C)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000491513074 398045387 /nfs/dbraw/zinc/04/53/87/398045387.db2.gz AGIQTAKHFQYPSG-AATRIKPKSA-N 2 2 246.314 0.494 20 30 BCEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000491513074 398045389 /nfs/dbraw/zinc/04/53/89/398045389.db2.gz AGIQTAKHFQYPSG-AATRIKPKSA-N 2 2 246.314 0.494 20 30 BCEDLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193297766 398114239 /nfs/dbraw/zinc/11/42/39/398114239.db2.gz UAYUGOKXBIIAJH-QWHCGFSZSA-N 2 2 239.363 0.973 20 30 BCEDLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193297766 398114242 /nfs/dbraw/zinc/11/42/42/398114242.db2.gz UAYUGOKXBIIAJH-QWHCGFSZSA-N 2 2 239.363 0.973 20 30 BCEDLP C=CC[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062898756 166355213 /nfs/dbraw/zinc/35/52/13/166355213.db2.gz BWLGLZGRZMUXOL-ZDUSSCGKSA-N 2 2 237.347 0.316 20 30 BCEDLP C=CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265477984 166365278 /nfs/dbraw/zinc/36/52/78/166365278.db2.gz KBLROBBRPCWZPI-UHFFFAOYSA-N 2 2 248.330 0.891 20 30 BCEDLP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658334674 411343920 /nfs/dbraw/zinc/34/39/20/411343920.db2.gz RLHJGJGRZBIMLI-YPMHNXCESA-N 2 2 240.347 0.376 20 30 BCEDLP C=CCN(CC=C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056332 411406814 /nfs/dbraw/zinc/40/68/14/411406814.db2.gz AXNGNONMRIVRLD-LLVKDONJSA-N 2 2 225.336 0.466 20 30 BCEDLP C=C(C)C[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000653609421 411438393 /nfs/dbraw/zinc/43/83/93/411438393.db2.gz MJGUIZXTGFPDJJ-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=C(C)C[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000653609421 411438395 /nfs/dbraw/zinc/43/83/95/411438395.db2.gz MJGUIZXTGFPDJJ-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=C(C)C[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000653609421 411438398 /nfs/dbraw/zinc/43/83/98/411438398.db2.gz MJGUIZXTGFPDJJ-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP C=C(C)C[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000653609421 411438402 /nfs/dbraw/zinc/43/84/02/411438402.db2.gz MJGUIZXTGFPDJJ-GFCCVEGCSA-N 2 2 230.352 0.433 20 30 BCEDLP N#CCC[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960708 323045860 /nfs/dbraw/zinc/04/58/60/323045860.db2.gz MBKAXDUKOFDUJT-LLVKDONJSA-N 2 2 238.335 0.077 20 30 BCEDLP N#CCC[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960708 323045861 /nfs/dbraw/zinc/04/58/61/323045861.db2.gz MBKAXDUKOFDUJT-LLVKDONJSA-N 2 2 238.335 0.077 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571316013 323141268 /nfs/dbraw/zinc/14/12/68/323141268.db2.gz RMFZVZWGHZGVGL-ONGXEEELSA-N 2 2 211.309 0.191 20 30 BCEDLP C[C@@H](C#N)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571316013 323141269 /nfs/dbraw/zinc/14/12/69/323141269.db2.gz RMFZVZWGHZGVGL-ONGXEEELSA-N 2 2 211.309 0.191 20 30 BCEDLP C=CCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)nn1 ZINC000566103824 325995495 /nfs/dbraw/zinc/99/54/95/325995495.db2.gz NCTPOOMRRODBHP-YPMHNXCESA-N 2 2 249.362 0.942 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000173193119 526948480 /nfs/dbraw/zinc/94/84/80/526948480.db2.gz ZPBBZGPSEASLAD-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000173193119 526948488 /nfs/dbraw/zinc/94/84/88/526948488.db2.gz ZPBBZGPSEASLAD-UHFFFAOYSA-N 2 2 249.358 0.248 20 30 BCEDLP CC[NH+]=C(NCC[NH+]1CCC1)NC1CC1 ZINC000261791836 535261849 /nfs/dbraw/zinc/26/18/49/535261849.db2.gz LAJBIFXQYKEICB-UHFFFAOYSA-N 2 2 210.325 0.410 20 30 BCEDLP CCCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303970207 535261892 /nfs/dbraw/zinc/26/18/92/535261892.db2.gz CKHMJFSAJQXOSA-JTQLQIEISA-N 2 2 228.340 0.021 20 30 BCEDLP CCCCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303970207 535261897 /nfs/dbraw/zinc/26/18/97/535261897.db2.gz CKHMJFSAJQXOSA-JTQLQIEISA-N 2 2 228.340 0.021 20 30 BCEDLP CNC(NCc1ccn2cc[nH+]c2c1)=[NH+]C ZINC000849214755 582843473 /nfs/dbraw/zinc/84/34/73/582843473.db2.gz MTIRZWOZHWOOKK-UHFFFAOYSA-N 2 2 217.276 0.629 20 30 BCEDLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000895078225 583582230 /nfs/dbraw/zinc/58/22/30/583582230.db2.gz FMQVKYJGDHXYTF-CYBMUJFWSA-N 2 2 246.314 0.823 20 30 BCEDLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000895078225 583582232 /nfs/dbraw/zinc/58/22/32/583582232.db2.gz FMQVKYJGDHXYTF-CYBMUJFWSA-N 2 2 246.314 0.823 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)NCCn1cc[nH+]c1 ZINC000900193408 584284651 /nfs/dbraw/zinc/28/46/51/584284651.db2.gz JOBOYAZIXWPILE-UHFFFAOYSA-N 2 2 236.319 0.507 20 30 BCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485101 584779670 /nfs/dbraw/zinc/77/96/70/584779670.db2.gz ICAJMHVRKPZQFE-LLVKDONJSA-N 2 2 237.347 0.553 20 30 BCEDLP C[C@@]1(C#N)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903824918 584804349 /nfs/dbraw/zinc/80/43/49/584804349.db2.gz UYZXGLPGZAAXDC-GRYCIOLGSA-N 2 2 223.320 0.728 20 30 BCEDLP C[C@@]1(C#N)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903824918 584804351 /nfs/dbraw/zinc/80/43/51/584804351.db2.gz UYZXGLPGZAAXDC-GRYCIOLGSA-N 2 2 223.320 0.728 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1=O ZINC000903861003 584812066 /nfs/dbraw/zinc/81/20/66/584812066.db2.gz VHESNFLNVZBLIN-OBJOEFQTSA-N 2 2 249.358 0.587 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1=O ZINC000903861003 584812067 /nfs/dbraw/zinc/81/20/67/584812067.db2.gz VHESNFLNVZBLIN-OBJOEFQTSA-N 2 2 249.358 0.587 20 30 BCEDLP CC(C)[N@H+]1CC(=NN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000754255416 585281335 /nfs/dbraw/zinc/28/13/35/585281335.db2.gz RERCLZNYZMANBV-GFCCVEGCSA-N 2 2 238.379 0.950 20 30 BCEDLP CC(C)[N@@H+]1CC(=NN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000754255416 585281336 /nfs/dbraw/zinc/28/13/36/585281336.db2.gz RERCLZNYZMANBV-GFCCVEGCSA-N 2 2 238.379 0.950 20 30 BCEDLP C=CC[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000777544136 585714870 /nfs/dbraw/zinc/71/48/70/585714870.db2.gz DZNWKTLIIMYWSH-NSHDSACASA-N 2 2 248.330 0.811 20 30 BCEDLP C=CC[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000777544136 585714871 /nfs/dbraw/zinc/71/48/71/585714871.db2.gz DZNWKTLIIMYWSH-NSHDSACASA-N 2 2 248.330 0.811 20 30 BCEDLP C[C@H]1C[NH+]=C(NN=Cc2cccc3[nH+]ccn32)N1 ZINC000779800453 585764562 /nfs/dbraw/zinc/76/45/62/585764562.db2.gz NLZHFBDVUWPPPY-VIFPVBQESA-N 2 2 242.286 0.606 20 30 BCEDLP C#CC(C)(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000794579275 586044957 /nfs/dbraw/zinc/04/49/57/586044957.db2.gz YMFAKBYGNIVVPF-GFCCVEGCSA-N 2 2 224.348 0.787 20 30 BCEDLP C#CC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000794579275 586044958 /nfs/dbraw/zinc/04/49/58/586044958.db2.gz YMFAKBYGNIVVPF-GFCCVEGCSA-N 2 2 224.348 0.787 20 30 BCEDLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc[nH+]1 ZINC000841166226 587948036 /nfs/dbraw/zinc/94/80/36/587948036.db2.gz MBDYIGABUZQRNP-MWLCHTKSSA-N 2 2 245.286 0.045 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883829 588147168 /nfs/dbraw/zinc/14/71/68/588147168.db2.gz LRIKKUGPPRGZEQ-UHFFFAOYSA-N 2 2 249.318 0.101 20 30 BCEDLP C#CCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846875737 588294962 /nfs/dbraw/zinc/29/49/62/588294962.db2.gz JPKGRVRXIANPFK-UHFFFAOYSA-N 2 2 218.304 0.945 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1[nH+]ccn1CC ZINC000848174018 588364700 /nfs/dbraw/zinc/36/47/00/588364700.db2.gz BDBRYVYZUVXMAW-UHFFFAOYSA-N 2 2 236.319 0.637 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000874468953 590114443 /nfs/dbraw/zinc/11/44/43/590114443.db2.gz WOCQVDRJZPBXPE-ZDUSSCGKSA-N 2 2 249.358 0.106 20 30 BCEDLP C#CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000874468953 590114445 /nfs/dbraw/zinc/11/44/45/590114445.db2.gz WOCQVDRJZPBXPE-ZDUSSCGKSA-N 2 2 249.358 0.106 20 30 BCEDLP C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105119 590495091 /nfs/dbraw/zinc/49/50/91/590495091.db2.gz WNZGCIGILYKRCS-NWDGAFQWSA-N 2 2 240.347 0.988 20 30 BCEDLP C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105119 590495094 /nfs/dbraw/zinc/49/50/94/590495094.db2.gz WNZGCIGILYKRCS-NWDGAFQWSA-N 2 2 240.347 0.988 20 30 BCEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878434158 590567568 /nfs/dbraw/zinc/56/75/68/590567568.db2.gz HOUSUDFYTMIKJI-UHFFFAOYSA-N 2 2 249.358 0.294 20 30 BCEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878434158 590567569 /nfs/dbraw/zinc/56/75/69/590567569.db2.gz HOUSUDFYTMIKJI-UHFFFAOYSA-N 2 2 249.358 0.294 20 30 BCEDLP CC#CC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878656255 590603359 /nfs/dbraw/zinc/60/33/59/590603359.db2.gz KJAKOQFSOZFNMF-UHFFFAOYSA-N 2 2 237.347 0.152 20 30 BCEDLP C#CCOCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878866223 590634508 /nfs/dbraw/zinc/63/45/08/590634508.db2.gz RSBCAYGCXYPSCI-CYBMUJFWSA-N 2 2 240.347 0.025 20 30 BCEDLP C#CCOCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878866223 590634512 /nfs/dbraw/zinc/63/45/12/590634512.db2.gz RSBCAYGCXYPSCI-CYBMUJFWSA-N 2 2 240.347 0.025 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000883390716 591642930 /nfs/dbraw/zinc/64/29/30/591642930.db2.gz RXQCMFXNVUXOIR-QJPTWQEYSA-N 2 2 212.337 0.853 20 30 BCEDLP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000883390716 591642934 /nfs/dbraw/zinc/64/29/34/591642934.db2.gz RXQCMFXNVUXOIR-QJPTWQEYSA-N 2 2 212.337 0.853 20 30 BCEDLP C#CC[N@H+]1CCC[C@@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000884610352 591993756 /nfs/dbraw/zinc/99/37/56/591993756.db2.gz JORDWMCDBWIQEG-SNVBAGLBSA-N 2 2 246.318 0.272 20 30 BCEDLP C#CC[N@@H+]1CCC[C@@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000884610352 591993758 /nfs/dbraw/zinc/99/37/58/591993758.db2.gz JORDWMCDBWIQEG-SNVBAGLBSA-N 2 2 246.318 0.272 20 30 BCEDLP C=C(C[NH+](C)C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107663 592683458 /nfs/dbraw/zinc/68/34/58/592683458.db2.gz OZGJEHSNDNYMLD-UHFFFAOYSA-N 2 2 222.292 0.154 20 30 BCEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931276616 634302777 /nfs/dbraw/zinc/30/27/77/634302777.db2.gz ABHXOKCZZDXYCI-QNWHQSFQSA-N 2 2 249.358 0.265 20 30 BCEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931276616 634302780 /nfs/dbraw/zinc/30/27/80/634302780.db2.gz ABHXOKCZZDXYCI-QNWHQSFQSA-N 2 2 249.358 0.265 20 30 BCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987062239 636623057 /nfs/dbraw/zinc/62/30/57/636623057.db2.gz BDKFPUXLQDKSOG-PWSUYJOCSA-N 2 2 246.314 0.164 20 30 BCEDLP C#CC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989666417 636873136 /nfs/dbraw/zinc/87/31/36/636873136.db2.gz CAVNZGKBVSSQPI-UHFFFAOYSA-N 2 2 249.358 0.250 20 30 BCEDLP C#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989666417 636873140 /nfs/dbraw/zinc/87/31/40/636873140.db2.gz CAVNZGKBVSSQPI-UHFFFAOYSA-N 2 2 249.358 0.250 20 30 BCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758410 639063298 /nfs/dbraw/zinc/06/32/98/639063298.db2.gz KLEWUQIWWJVESN-LLVKDONJSA-N 2 2 248.330 0.432 20 30 BCEDLP C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278478 640130294 /nfs/dbraw/zinc/13/02/94/640130294.db2.gz DTXDOSLHJKQGTH-KXNHARMFSA-N 2 2 210.321 0.415 20 30 BCEDLP C=C(C)[C@@H](CO)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278478 640130300 /nfs/dbraw/zinc/13/03/00/640130300.db2.gz DTXDOSLHJKQGTH-KXNHARMFSA-N 2 2 210.321 0.415 20 30 BCEDLP N#CCCOCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517750 640240729 /nfs/dbraw/zinc/24/07/29/640240729.db2.gz KZLGOXUDBXOWQJ-UHFFFAOYSA-N 2 2 246.314 0.952 20 30 BCEDLP N#CCCOCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517750 640240734 /nfs/dbraw/zinc/24/07/34/640240734.db2.gz KZLGOXUDBXOWQJ-UHFFFAOYSA-N 2 2 246.314 0.952 20 30 BCEDLP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000934464070 641151469 /nfs/dbraw/zinc/15/14/69/641151469.db2.gz MCLAEJNBUSOOMQ-CHWSQXEVSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000934464070 641151474 /nfs/dbraw/zinc/15/14/74/641151474.db2.gz MCLAEJNBUSOOMQ-CHWSQXEVSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000934464070 641151479 /nfs/dbraw/zinc/15/14/79/641151479.db2.gz MCLAEJNBUSOOMQ-CHWSQXEVSA-N 2 2 242.363 0.576 20 30 BCEDLP C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000934464070 641151483 /nfs/dbraw/zinc/15/14/83/641151483.db2.gz MCLAEJNBUSOOMQ-CHWSQXEVSA-N 2 2 242.363 0.576 20 30 BCEDLP C#C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934511273 641177905 /nfs/dbraw/zinc/17/79/05/641177905.db2.gz LWPCBECMDIWDSM-KBPBESRZSA-N 2 2 236.359 0.931 20 30 BCEDLP C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934511273 641177911 /nfs/dbraw/zinc/17/79/11/641177911.db2.gz LWPCBECMDIWDSM-KBPBESRZSA-N 2 2 236.359 0.931 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030961205 641527289 /nfs/dbraw/zinc/52/72/89/641527289.db2.gz RUQKZIIDFXJSMV-YPMHNXCESA-N 2 2 249.358 0.008 20 30 BCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030961205 641527293 /nfs/dbraw/zinc/52/72/93/641527293.db2.gz RUQKZIIDFXJSMV-YPMHNXCESA-N 2 2 249.358 0.008 20 30 BCEDLP C=CC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031253583 641862268 /nfs/dbraw/zinc/86/22/68/641862268.db2.gz QXUHHQQHDLVVMN-LLVKDONJSA-N 2 2 237.347 0.315 20 30 BCEDLP C=CC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031253583 641862269 /nfs/dbraw/zinc/86/22/69/641862269.db2.gz QXUHHQQHDLVVMN-LLVKDONJSA-N 2 2 237.347 0.315 20 30 BCEDLP C=C(C)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263751 641868957 /nfs/dbraw/zinc/86/89/57/641868957.db2.gz YSSGKJYFNIXCGK-UHFFFAOYSA-N 2 2 249.358 0.459 20 30 BCEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939212577 642858785 /nfs/dbraw/zinc/85/87/85/642858785.db2.gz YZQINKCHQFAYKM-PWSUYJOCSA-N 2 2 248.330 0.575 20 30 BCEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939212576 642859121 /nfs/dbraw/zinc/85/91/21/642859121.db2.gz YZQINKCHQFAYKM-JQWIXIFHSA-N 2 2 248.330 0.575 20 30 BCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939208147 642859224 /nfs/dbraw/zinc/85/92/24/642859224.db2.gz BMQJGXCNAXZFGX-JQWIXIFHSA-N 2 2 246.314 0.022 20 30 BCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015998324 642939611 /nfs/dbraw/zinc/93/96/11/642939611.db2.gz OKIVWLJPQFJFNK-LLVKDONJSA-N 2 2 248.330 0.339 20 30 BCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015998324 642939618 /nfs/dbraw/zinc/93/96/18/642939618.db2.gz OKIVWLJPQFJFNK-LLVKDONJSA-N 2 2 248.330 0.339 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970341558 643416936 /nfs/dbraw/zinc/41/69/36/643416936.db2.gz PXTJFXWQCFVBAZ-SNVBAGLBSA-N 2 2 234.303 0.329 20 30 BCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970857781 643577698 /nfs/dbraw/zinc/57/76/98/643577698.db2.gz IPBVRVOYXVKMBW-LLVKDONJSA-N 2 2 234.303 0.260 20 30 BCEDLP C=CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001057114 643801739 /nfs/dbraw/zinc/80/17/39/643801739.db2.gz UKAGKPAHFCCEGX-LBPRGKRZSA-N 2 2 248.330 0.650 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923282200 644315211 /nfs/dbraw/zinc/31/52/11/644315211.db2.gz SQLQPTQCOMUQBN-NWDGAFQWSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923282200 644315218 /nfs/dbraw/zinc/31/52/18/644315218.db2.gz SQLQPTQCOMUQBN-NWDGAFQWSA-N 2 2 212.337 0.997 20 30 BCEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362360 644385899 /nfs/dbraw/zinc/38/58/99/644385899.db2.gz XOXVXZDCGPKWFX-UTUOFQBUSA-N 2 2 210.321 0.607 20 30 BCEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362360 644385902 /nfs/dbraw/zinc/38/59/02/644385902.db2.gz XOXVXZDCGPKWFX-UTUOFQBUSA-N 2 2 210.321 0.607 20 30 BCEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430431 644422554 /nfs/dbraw/zinc/42/25/54/644422554.db2.gz LEQQHSGHHUFDLA-QWRGUYRKSA-N 2 2 212.337 0.983 20 30 BCEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430431 644422561 /nfs/dbraw/zinc/42/25/61/644422561.db2.gz LEQQHSGHHUFDLA-QWRGUYRKSA-N 2 2 212.337 0.983 20 30 BCEDLP CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303787185 644845967 /nfs/dbraw/zinc/84/59/67/644845967.db2.gz SFHVDZOHPXYVHX-NSHDSACASA-N 2 2 242.367 0.267 20 30 BCEDLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929751260 646282441 /nfs/dbraw/zinc/28/24/41/646282441.db2.gz YSIPVKJBMAVLOL-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000929751260 646282446 /nfs/dbraw/zinc/28/24/46/646282446.db2.gz YSIPVKJBMAVLOL-CHWSQXEVSA-N 2 2 239.363 0.925 20 30 BCEDLP CC(C)(CCC#N)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925671742 646401154 /nfs/dbraw/zinc/40/11/54/646401154.db2.gz FJWCLIXWGRYCTL-NSHDSACASA-N 2 2 225.336 0.894 20 30 BCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925712045 646437566 /nfs/dbraw/zinc/43/75/66/646437566.db2.gz ZKPRAAHASUODPJ-TUAOUCFPSA-N 2 2 226.320 0.156 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnnn1C ZINC000926489598 646659653 /nfs/dbraw/zinc/65/96/53/646659653.db2.gz IUXBCXLVVPLGIZ-NSHDSACASA-N 2 2 235.335 0.421 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnnn1C ZINC000926489598 646659656 /nfs/dbraw/zinc/65/96/56/646659656.db2.gz IUXBCXLVVPLGIZ-NSHDSACASA-N 2 2 235.335 0.421 20 30 BCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044294183 710822765 /nfs/dbraw/zinc/82/27/65/710822765.db2.gz SAZFOJXYZUECQM-NSHDSACASA-N 2 2 237.347 0.267 20 30 BCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044294183 710822768 /nfs/dbraw/zinc/82/27/68/710822768.db2.gz SAZFOJXYZUECQM-NSHDSACASA-N 2 2 237.347 0.267 20 30 BCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038655762 710699533 /nfs/dbraw/zinc/69/95/33/710699533.db2.gz BOAHQPRDGRXAQX-CYBMUJFWSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038655762 710699536 /nfs/dbraw/zinc/69/95/36/710699536.db2.gz BOAHQPRDGRXAQX-CYBMUJFWSA-N 2 2 249.358 0.152 20 30 BCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnn1CC ZINC000383085762 710965918 /nfs/dbraw/zinc/96/59/18/710965918.db2.gz VLCDFAYLQUCBJL-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnn1CC ZINC000383085762 710965919 /nfs/dbraw/zinc/96/59/19/710965919.db2.gz VLCDFAYLQUCBJL-UHFFFAOYSA-N 2 2 234.347 0.948 20 30 BCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707744 712014173 /nfs/dbraw/zinc/01/41/73/712014173.db2.gz SFISALYTCVLTMH-LBPRGKRZSA-N 2 2 246.314 0.049 20 30 BCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707744 712014175 /nfs/dbraw/zinc/01/41/75/712014175.db2.gz SFISALYTCVLTMH-LBPRGKRZSA-N 2 2 246.314 0.049 20 30 BCEDLP