smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccccc1 74273795 537865726 /nfs/dbraw/zinc/86/57/26/537865726.db2.gz IKHIBKMYECYOPT-VXGBXAGGSA-N 2 1 190.290 1.781 50 0 ADAAMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccccc1 74273794 537867851 /nfs/dbraw/zinc/86/78/51/537867851.db2.gz IKHIBKMYECYOPT-NWDGAFQWSA-N 2 1 190.290 1.781 50 0 ADAAMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccccc1 83277687 537895156 /nfs/dbraw/zinc/89/51/56/537895156.db2.gz IKHIBKMYECYOPT-RYUDHWBXSA-N 2 1 190.290 1.781 50 0 ADAAMP C[N@H+]1CCCCC[NH2+]CCC1 113412703 537967231 /nfs/dbraw/zinc/96/72/31/537967231.db2.gz OMZLOWKBOYKALQ-UHFFFAOYSA-N 2 1 156.273 1.082 50 0 ADAAMP [NH3+]CCCn1c[nH+]c2c1CCCC2 74304339 573312274 /nfs/dbraw/zinc/31/22/74/573312274.db2.gz APBFJYRABCTHKX-UHFFFAOYSA-N 2 1 179.267 1.111 50 0 ADAAMP [NH3+]CC[C@@H]1CCC[N@@H+](CCF)C1 87776620 572711656 /nfs/dbraw/zinc/71/16/56/572711656.db2.gz JFGJSHYBETWEMC-VIFPVBQESA-N 2 1 174.263 1.017 50 0 ADAAMP [NH3+]CC[C@H]1CCC[N@@H+](CCF)C1 87776619 572712734 /nfs/dbraw/zinc/71/27/34/572712734.db2.gz JFGJSHYBETWEMC-SECBINFHSA-N 2 1 174.263 1.017 50 0 ADAAMP C[N@H+]1Cc2ccc(C[NH3+])cc2C1 82632572 573141921 /nfs/dbraw/zinc/14/19/21/573141921.db2.gz JTFADFRGJAHKCZ-UHFFFAOYSA-N 2 1 162.236 1.091 50 0 ADAAMP C[C@@H]([NH3+])C[C@H]1CCCC[N@H+]1C 107948050 573671217 /nfs/dbraw/zinc/67/12/17/573671217.db2.gz IHWRCCVYUBWINU-RKDXNWHRSA-N 2 1 156.273 1.208 50 0 ADAAMP C[C@H]([NH3+])C[C@H]1CCCC[N@H+]1C 107948047 573672665 /nfs/dbraw/zinc/67/26/65/573672665.db2.gz IHWRCCVYUBWINU-DTWKUNHWSA-N 2 1 156.273 1.208 50 0 ADAAMP C[C@H]([NH3+])C[C@@H]1CCCC[N@H+]1C 107948041 573672710 /nfs/dbraw/zinc/67/27/10/573672710.db2.gz IHWRCCVYUBWINU-IUCAKERBSA-N 2 1 156.273 1.208 50 0 ADAAMP C[C@@H]([NH3+])C[C@@H]1CCCC[N@H+]1C 107948045 573674611 /nfs/dbraw/zinc/67/46/11/573674611.db2.gz IHWRCCVYUBWINU-BDAKNGLRSA-N 2 1 156.273 1.208 50 0 ADAAMP C[N@@H+]1C[C@@]23CCCC[C@@]2(C[NH2+]C3)C1 757124058 582457632 /nfs/dbraw/zinc/45/76/32/582457632.db2.gz YKVXAFFLHSCSTB-PHIMTYICSA-N 2 1 180.295 1.082 50 0 ADAAMP [NH3+]C[C@H]1C[C@H](C2CCCCC2)CC[NH2+]1 757215500 582952692 /nfs/dbraw/zinc/95/26/92/582952692.db2.gz VNGBTOIETVZGDR-VXGBXAGGSA-N 2 1 196.338 1.894 50 0 ADAAMP [NH3+]C[C@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 757215497 582953250 /nfs/dbraw/zinc/95/32/50/582953250.db2.gz VNGBTOIETVZGDR-NWDGAFQWSA-N 2 1 196.338 1.894 50 0 ADAAMP [NH3+]C[C@@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 757215499 582953404 /nfs/dbraw/zinc/95/34/04/582953404.db2.gz VNGBTOIETVZGDR-RYUDHWBXSA-N 2 1 196.338 1.894 50 0 ADAAMP [NH3+]C[C@@H]1C[C@H](C2CCCCC2)CC[NH2+]1 757215496 582953570 /nfs/dbraw/zinc/95/35/70/582953570.db2.gz VNGBTOIETVZGDR-NEPJUHHUSA-N 2 1 196.338 1.894 50 0 ADAAMP CCCC[N@@H+](C)C1CC[NH2+]CC1 19427635 491020975 /nfs/dbraw/zinc/02/09/75/491020975.db2.gz HALSQPWSSSCPGH-UHFFFAOYSA-N 2 1 170.300 1.470 50 0 ADAAMP Cc1ccc[nH+]c1N1CCC([NH3+])CC1 12359709 132182791 /nfs/dbraw/zinc/18/27/91/132182791.db2.gz MEDSFHSPUSUMIL-UHFFFAOYSA-N 2 1 191.278 1.318 50 0 in-vitro ADAAMP Cc1ccc(N2CCC([NH3+])CC2)[nH+]c1 22175188 132185643 /nfs/dbraw/zinc/18/56/43/132185643.db2.gz QQEOMBKEYFJWMG-UHFFFAOYSA-N 2 1 191.278 1.318 50 0 in-vitro ADAAMP Clc1c[nH+]ccc1N1CC[NH2+]CC1 29413191 132187189 /nfs/dbraw/zinc/18/71/89/132187189.db2.gz WZZPTVIAALKWBS-UHFFFAOYSA-N 2 1 197.669 1.145 50 0 ADAAMP Cc1cccc(N2CCC([NH3+])CC2)[nH+]1 37670334 132188553 /nfs/dbraw/zinc/18/85/53/132188553.db2.gz NDXJCHPRFGILTF-UHFFFAOYSA-N 2 1 191.278 1.318 50 0 in-vitro ADAAMP C[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 299464 342933306 /nfs/dbraw/zinc/93/33/06/342933306.db2.gz HOMQMBUOTAUPAK-JTQLQIEISA-N 2 1 182.311 1.470 50 0 in-vitro ADAAMP C[C@H]1CCC[N@@H+](CCC[NH3+])C1 2013388 342966483 /nfs/dbraw/zinc/96/64/83/342966483.db2.gz ADIQUBKLXXCKLT-VIFPVBQESA-N 2 1 156.273 1.067 50 0 in-vitro ADAAMP C[NH+](C)CC[C@H]([NH3+])c1ccccc1 2538808 342975400 /nfs/dbraw/zinc/97/54/00/342975400.db2.gz HSZKVKCMQAORSG-NSHDSACASA-N 2 1 178.279 1.638 50 0 in-vitro ADAAMP CC1CC[NH+](C2CC[NH+](C)CC2)CC1 3683706 342983726 /nfs/dbraw/zinc/98/37/26/342983726.db2.gz JUFUZZNIRNVLTQ-UHFFFAOYSA-N 2 1 196.338 1.813 50 0 ADAAMP C[C@H]1C[C@H]([NH+](C)C)[C@H](C)C[N@H+]1C 4837127 342996509 /nfs/dbraw/zinc/99/65/09/342996509.db2.gz YTSOCSSFMLFCRS-UTLUCORTSA-N 2 1 170.300 1.277 50 0 ADAAMP C[N@H+]1CC[C@H]([NH3+])[C@H]2CCCC[C@@H]21 4342936 342990941 /nfs/dbraw/zinc/99/09/41/342990941.db2.gz BLYUFWSKCMEZSN-UTLUCORTSA-N 2 1 168.284 1.208 50 0 ADAAMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 12404778 343030867 /nfs/dbraw/zinc/03/08/67/343030867.db2.gz UXHLFFAPGDGJKW-IUCAKERBSA-N 2 1 156.273 1.066 50 0 ADAAMP C[N@@H+](CCC[NH3+])C1CCCC1 13483671 343035206 /nfs/dbraw/zinc/03/52/06/343035206.db2.gz UZUGLJYLQAJFML-UHFFFAOYSA-N 2 1 156.273 1.210 50 0 in-vitro ADAAMP CC(C)[N@@H+](C)C1CC[NH2+]CC1 19432587 343055232 /nfs/dbraw/zinc/05/52/32/343055232.db2.gz GATDBLAWLPINOT-UHFFFAOYSA-N 2 1 156.273 1.079 50 0 in-vitro ADAAMP C[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] 19685443 343058154 /nfs/dbraw/zinc/05/81/54/343058154.db2.gz KEVBULSQPZAIAF-UHFFFAOYSA-N 2 1 192.306 1.856 50 0 in-vitro ADAAMP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] 19685443 343058156 /nfs/dbraw/zinc/05/81/56/343058156.db2.gz KEVBULSQPZAIAF-UHFFFAOYSA-N 2 1 192.306 1.856 50 0 in-vitro ADAAMP C[C@H]1CCC[N@@H+](CCCC(N)=[NH2+])C1 19514019 343057257 /nfs/dbraw/zinc/05/72/57/343057257.db2.gz MTPUORXKRXZQGH-VIFPVBQESA-N 2 1 183.299 1.434 50 0 in-vitro ADAAMP CCCC[N@H+](C)C[C@H]1CCCC[NH2+]1 19512211 343057262 /nfs/dbraw/zinc/05/72/62/343057262.db2.gz NBZDCZFHUHVLNK-LLVKDONJSA-N 2 1 184.327 1.860 50 0 ADAAMP CCCC[N@@H+](C)C[C@H]1CCCC[NH2+]1 19512211 343057263 /nfs/dbraw/zinc/05/72/63/343057263.db2.gz NBZDCZFHUHVLNK-LLVKDONJSA-N 2 1 184.327 1.860 50 0 ADAAMP C[NH+](C)CCCNc1ccc(N)c[nH+]1 19961636 343065298 /nfs/dbraw/zinc/06/52/98/343065298.db2.gz MDHORAYJCVKPNI-UHFFFAOYSA-N 2 1 194.282 1.027 50 0 ADAAMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 21949654 343075954 /nfs/dbraw/zinc/07/59/54/343075954.db2.gz IHMUZVOIYBRQJI-NSHDSACASA-N 2 1 196.338 1.718 50 0 in-vitro ADAAMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1 22868279 343082247 /nfs/dbraw/zinc/08/22/47/343082247.db2.gz DMPSPBDJFZDNPG-LBPRGKRZSA-N 2 1 192.306 1.760 50 0 ADAAMP Cc1ccc(C)c(C[NH2+]CC[NH3+])c1 32919756 343103914 /nfs/dbraw/zinc/10/39/14/343103914.db2.gz WDIGBKPGLDADBU-UHFFFAOYSA-N 2 1 178.279 1.352 50 0 ADAAMP C[N@H+]1C[C@@H]2C[C@H](C1)[C@@H]1CCCC[NH+]1C2 34632831 343124093 /nfs/dbraw/zinc/12/40/93/343124093.db2.gz JHVZGAIDVLLSEV-TUAOUCFPSA-N 2 1 194.322 1.422 50 0 ADAAMP C[NH+]1C[C@@H]2C[C@H](C1)[C@@H]1CCCC[N@@H+]1C2 34632831 343124094 /nfs/dbraw/zinc/12/40/94/343124094.db2.gz JHVZGAIDVLLSEV-TUAOUCFPSA-N 2 1 194.322 1.422 50 0 ADAAMP C[NH+]1C[C@@H]2C[C@H](C1)[C@@H]1CCCC[N@H+]1C2 34632831 343124095 /nfs/dbraw/zinc/12/40/95/343124095.db2.gz JHVZGAIDVLLSEV-TUAOUCFPSA-N 2 1 194.322 1.422 50 0 ADAAMP CC[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 34679231 343124475 /nfs/dbraw/zinc/12/44/75/343124475.db2.gz UXHLFFAPGDGJKW-DTWKUNHWSA-N 2 1 156.273 1.066 50 0 ADAAMP Cc1[nH]c([C@H]2CCC[NH2+]C2)[nH+]c1C 36876370 343152801 /nfs/dbraw/zinc/15/28/01/343152801.db2.gz HTDBPCTVBSGCJR-VIFPVBQESA-N 2 1 179.267 1.494 50 0 ADAAMP CCC(CC)[N@@H+]1CC[C@@H]([NH3+])C1 37241695 343163876 /nfs/dbraw/zinc/16/38/76/343163876.db2.gz RZQCGPVZOABCIU-MRVPVSSYSA-N 2 1 156.273 1.208 50 0 ADAAMP CCC(CC)[N@H+]1CC[C@@H]([NH3+])C1 37241695 343163877 /nfs/dbraw/zinc/16/38/77/343163877.db2.gz RZQCGPVZOABCIU-MRVPVSSYSA-N 2 1 156.273 1.208 50 0 ADAAMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 42783425 343249301 /nfs/dbraw/zinc/24/93/01/343249301.db2.gz BKQGLRKYQKWJGE-VXGBXAGGSA-N 2 1 196.338 1.860 50 0 ADAAMP Cc1ccc[nH+]c1NC1CC[NH2+]CC1 51041260 343288342 /nfs/dbraw/zinc/28/83/42/343288342.db2.gz QBHYNPMGPLOJCR-UHFFFAOYSA-N 2 1 191.278 1.554 50 0 ADAAMP Cc1ccc(NC[C@H]2CC[NH2+]C2)[nH+]c1 57217712 343336082 /nfs/dbraw/zinc/33/60/82/343336082.db2.gz BRACWWFOQZIZQC-JTQLQIEISA-N 2 1 191.278 1.411 50 0 in-vitro ADAAMP CC1(C)CCC[N@H+]1C1CC[NH2+]CC1 63067283 343400700 /nfs/dbraw/zinc/40/07/00/343400700.db2.gz ODCMEHOHAZOAHK-UHFFFAOYSA-N 2 1 182.311 1.613 50 0 ADAAMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccccc1 101382892 343723645 /nfs/dbraw/zinc/72/36/45/343723645.db2.gz ARLUXCWBAJJHBT-VXGBXAGGSA-N 2 1 190.290 1.638 50 0 in-vitro ADAAMP C1CC1[NH2+]C1CC[NH+](C2CC2)CC1 73653359 166085985 /nfs/dbraw/zinc/08/59/85/166085985.db2.gz OUBAPROQQPGFQL-UHFFFAOYSA-N 2 1 180.295 1.365 50 0 ADAAMP C1CC[NH2+][C@H](C[NH+]2CCCC2)CC1 39706226 166090612 /nfs/dbraw/zinc/09/06/12/166090612.db2.gz YEXUCOYOBRVUEU-NSHDSACASA-N 2 1 182.311 1.614 50 0 in-vitro ADAAMP C1CC[NH2+][C@@H](C[NH+]2CCCC2)CC1 39706225 166091005 /nfs/dbraw/zinc/09/10/05/166091005.db2.gz YEXUCOYOBRVUEU-LLVKDONJSA-N 2 1 182.311 1.614 50 0 in-vitro ADAAMP C1CC[N@H+]2C[C@@H]3C[NH2+]C[C@@H](C3)[C@@H]2C1 32251827 166091151 /nfs/dbraw/zinc/09/11/51/166091151.db2.gz XJIDULRGKIKAHC-AXFHLTTASA-N 2 1 180.295 1.080 50 0 ADAAMP C1CC[C@@H](C[NH+]2CCCC2)[NH2+]C1 32445492 166091626 /nfs/dbraw/zinc/09/16/26/166091626.db2.gz GJJCBYJAVZCDCB-JTQLQIEISA-N 2 1 168.284 1.224 50 0 in-vitro ADAAMP C1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 38193759 166092092 /nfs/dbraw/zinc/09/20/92/166092092.db2.gz QYKGBJGIKHJGFR-LLVKDONJSA-N 2 1 182.311 1.614 50 0 in-vitro ADAAMP C1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 38193760 166092800 /nfs/dbraw/zinc/09/28/00/166092800.db2.gz QYKGBJGIKHJGFR-NSHDSACASA-N 2 1 182.311 1.614 50 0 in-vitro ADAAMP C1CC[C@H](C[NH+]2CCCC2)[NH2+]C1 32445493 166094212 /nfs/dbraw/zinc/09/42/12/166094212.db2.gz GJJCBYJAVZCDCB-SNVBAGLBSA-N 2 1 168.284 1.224 50 0 in-vitro ADAAMP C1C[N@H+](CC2CC2)C[C@@]2(C1)CC[NH2+]C2 72133000 166095893 /nfs/dbraw/zinc/09/58/93/166095893.db2.gz DLWWPZKVOAYCLY-LBPRGKRZSA-N 2 1 194.322 1.472 50 0 ADAAMP C1C[N@H+](CC2CC2)C[C@]2(C1)CC[NH2+]C2 72133001 166096227 /nfs/dbraw/zinc/09/62/27/166096227.db2.gz DLWWPZKVOAYCLY-GFCCVEGCSA-N 2 1 194.322 1.472 50 0 ADAAMP C1C[C@@H]2C[NH2+]CC[C@@H]2[N@H+](C2CC2)C1 82164185 166102260 /nfs/dbraw/zinc/10/22/60/166102260.db2.gz RWCSXGLLLAJTJY-KOLCDFICSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP C1C[C@@H]2C[NH2+]CC[C@@H]2[N@@H+](C2CC2)C1 82164185 166102263 /nfs/dbraw/zinc/10/22/63/166102263.db2.gz RWCSXGLLLAJTJY-KOLCDFICSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP C1C[C@@H]2C[NH2+]CC[C@H]2[N@H+](C2CC2)C1 82164188 166104420 /nfs/dbraw/zinc/10/44/20/166104420.db2.gz RWCSXGLLLAJTJY-MWLCHTKSSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP C1C[C@@H]2C[NH2+]CC[C@H]2[N@@H+](C2CC2)C1 82164188 166104422 /nfs/dbraw/zinc/10/44/22/166104422.db2.gz RWCSXGLLLAJTJY-MWLCHTKSSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP C1C[C@H]2C[NH2+]CC[C@H]2[N@H+](C2CC2)C1 82164190 166106400 /nfs/dbraw/zinc/10/64/00/166106400.db2.gz RWCSXGLLLAJTJY-GXSJLCMTSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP C1C[C@H]2C[NH2+]CC[C@H]2[N@@H+](C2CC2)C1 82164190 166106402 /nfs/dbraw/zinc/10/64/02/166106402.db2.gz RWCSXGLLLAJTJY-GXSJLCMTSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP C1C[C@H]2C[NH2+]CC[C@@H]2[N@H+](C2CC2)C1 82164187 166107507 /nfs/dbraw/zinc/10/75/07/166107507.db2.gz RWCSXGLLLAJTJY-ONGXEEELSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP C1C[C@H]2C[NH2+]CC[C@@H]2[N@@H+](C2CC2)C1 82164187 166107510 /nfs/dbraw/zinc/10/75/10/166107510.db2.gz RWCSXGLLLAJTJY-ONGXEEELSA-N 2 1 180.295 1.223 50 0 in-vitro ADAAMP CC(C)(C)C[N@@H+]1CC[C@H]([NH3+])C1 40494667 166352097 /nfs/dbraw/zinc/35/20/97/166352097.db2.gz YRQXDWWQIUUJOO-QMMMGPOBSA-N 2 1 156.273 1.066 50 0 ADAAMP CC(C)(C)C[N@H+]1CC[C@H]([NH3+])C1 40494667 166352101 /nfs/dbraw/zinc/35/21/01/166352101.db2.gz YRQXDWWQIUUJOO-QMMMGPOBSA-N 2 1 156.273 1.066 50 0 ADAAMP CC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])C1 40494668 166352332 /nfs/dbraw/zinc/35/23/32/166352332.db2.gz YRQXDWWQIUUJOO-MRVPVSSYSA-N 2 1 156.273 1.066 50 0 ADAAMP CC(C)(C)C[N@H+]1CC[C@@H]([NH3+])C1 40494668 166352335 /nfs/dbraw/zinc/35/23/35/166352335.db2.gz YRQXDWWQIUUJOO-MRVPVSSYSA-N 2 1 156.273 1.066 50 0 ADAAMP CC(C)(C)[N@H+]1CC[C@H](C[NH3+])C1 11891444 166358894 /nfs/dbraw/zinc/35/88/94/166358894.db2.gz VEEMPJFRZBKMQS-MRVPVSSYSA-N 2 1 156.273 1.066 50 0 ADAAMP CC(C)(C)[N@H+]1CC[C@@H](C[NH3+])C1 11891442 166360178 /nfs/dbraw/zinc/36/01/78/166360178.db2.gz VEEMPJFRZBKMQS-QMMMGPOBSA-N 2 1 156.273 1.066 50 0 ADAAMP CC(C)(C)[NH2+]CC[NH2+]C1CC1 39712275 166365983 /nfs/dbraw/zinc/36/59/83/166365983.db2.gz JTFXZMAKBGEJNY-UHFFFAOYSA-N 2 1 156.273 1.127 50 0 ADAAMP CC(C)(C)[C@H]([NH3+])C[NH+]1CCCC1 32445495 166379756 /nfs/dbraw/zinc/37/97/56/166379756.db2.gz IWODVMXFHKPVBD-SECBINFHSA-N 2 1 170.300 1.456 50 0 ADAAMP CC(C)(C)[C@H]1C[N@H+]2CCC[C@@H]2CN1 72233257 166380835 /nfs/dbraw/zinc/38/08/35/166380835.db2.gz ZOFVPYVMEVJPGS-NXEZZACHSA-N 2 1 182.311 1.469 50 0 ADAAMP CC(C)(C)[C@H]1C[N@H+]2CCC[C@H]2CN1 72233258 166381950 /nfs/dbraw/zinc/38/19/50/166381950.db2.gz ZOFVPYVMEVJPGS-VHSXEESVSA-N 2 1 182.311 1.469 50 0 ADAAMP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH3+])C2 68585281 166386105 /nfs/dbraw/zinc/38/61/05/166386105.db2.gz LEWMKWVXTQEXHB-MRVPVSSYSA-N 2 1 193.294 1.454 50 0 in-vitro ADAAMP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH3+])C2 68585277 166387432 /nfs/dbraw/zinc/38/74/32/166387432.db2.gz LEWMKWVXTQEXHB-QMMMGPOBSA-N 2 1 193.294 1.454 50 0 in-vitro ADAAMP CC(C)(C[NH3+])[NH2+]Cc1ccccc1 72319844 166393963 /nfs/dbraw/zinc/39/39/63/166393963.db2.gz CREAATGKLBYRSK-UHFFFAOYSA-N 2 1 178.279 1.514 50 0 ADAAMP CC(C)[NH2+]CC[NH+]1CCCCCC1 32445499 166541179 /nfs/dbraw/zinc/54/11/79/166541179.db2.gz RMZFCHGMKNLUEN-UHFFFAOYSA-N 2 1 184.327 1.860 50 0 in-vitro ADAAMP CCCn1cc[nH+]c1CCC[NH2+]C 70639119 167122079 /nfs/dbraw/zinc/12/20/79/167122079.db2.gz UQWLOUQXOFECBG-UHFFFAOYSA-N 2 1 181.283 1.445 50 0 in-vitro ADAAMP CC[N@@H+](C)Cc1cccc(C[NH3+])c1 37034864 167146905 /nfs/dbraw/zinc/14/69/05/167146905.db2.gz MMVYYDUAJBMSSI-UHFFFAOYSA-N 2 1 178.279 1.597 50 0 in-vitro ADAAMP CC[NH+](CC)C[C@@H]([NH2+]C)C1CC1 68893470 167166646 /nfs/dbraw/zinc/16/66/46/167166646.db2.gz LGPVXGDCCDBKDG-SNVBAGLBSA-N 2 1 170.300 1.326 50 0 ADAAMP CC[NH+](CC)C[C@@H]1CCCC[NH2+]1 19369223 167171042 /nfs/dbraw/zinc/17/10/42/167171042.db2.gz WTIYGHQFUHZRDA-JTQLQIEISA-N 2 1 170.300 1.470 50 0 in-vitro ADAAMP CC[NH+](CC)C[C@H]([NH2+]C)C1CC1 68893468 167171206 /nfs/dbraw/zinc/17/12/06/167171206.db2.gz LGPVXGDCCDBKDG-JTQLQIEISA-N 2 1 170.300 1.326 50 0 ADAAMP CC[NH+](CC)C[C@H]1CCCC[NH2+]1 19366530 167171487 /nfs/dbraw/zinc/17/14/87/167171487.db2.gz WTIYGHQFUHZRDA-SNVBAGLBSA-N 2 1 170.300 1.470 50 0 in-vitro ADAAMP CC[N@@H+](CCC[NH3+])Cc1ccccc1 54969028 167178609 /nfs/dbraw/zinc/17/86/09/167178609.db2.gz VBARFWGILFILHY-UHFFFAOYSA-N 2 1 192.306 1.857 50 0 ADAAMP CC[N@@H+](CCC[NH3+])C1CCCCC1 22166842 167181930 /nfs/dbraw/zinc/18/19/30/167181930.db2.gz LDCBRUHKFZSXKE-UHFFFAOYSA-N 2 1 184.327 1.990 50 0 ADAAMP CC[NH+]1CCC([NH+]2CCCCC2)CC1 279781 167202473 /nfs/dbraw/zinc/20/24/73/167202473.db2.gz ZAWZBNVKNOJTFZ-UHFFFAOYSA-N 2 1 196.338 1.957 50 0 ADAAMP CC[NH+]1CCC([NH2+]C2CC2)CC1 20285761 167202856 /nfs/dbraw/zinc/20/28/56/167202856.db2.gz ZLUQDLBKWXWVGL-UHFFFAOYSA-N 2 1 168.284 1.223 50 0 in-vitro ADAAMP CC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 20418065 167207439 /nfs/dbraw/zinc/20/74/39/167207439.db2.gz VBSFDWZWDAXBML-LLVKDONJSA-N 2 1 182.311 1.472 50 0 in-vitro ADAAMP CC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 20418068 167209709 /nfs/dbraw/zinc/20/97/09/167209709.db2.gz VBSFDWZWDAXBML-NSHDSACASA-N 2 1 182.311 1.472 50 0 in-vitro ADAAMP CC[N@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49708962 167218430 /nfs/dbraw/zinc/21/84/30/167218430.db2.gz OODJAHIXUDRTEC-DTWKUNHWSA-N 2 1 156.273 1.079 50 0 in-vitro ADAAMP CC[N@H+]1CC[C@@H]([NH2+]C)C[C@H]1C 101423447 167220793 /nfs/dbraw/zinc/22/07/93/167220793.db2.gz OODJAHIXUDRTEC-RKDXNWHRSA-N 2 1 156.273 1.079 50 0 in-vitro ADAAMP CC[N@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49708960 167223587 /nfs/dbraw/zinc/22/35/87/167223587.db2.gz OODJAHIXUDRTEC-IUCAKERBSA-N 2 1 156.273 1.079 50 0 in-vitro ADAAMP CC[N@H+]1CC[C@H]([NH2+]C)C[C@H]1C 101423450 167224205 /nfs/dbraw/zinc/22/42/05/167224205.db2.gz OODJAHIXUDRTEC-BDAKNGLRSA-N 2 1 156.273 1.079 50 0 in-vitro ADAAMP CC[N@@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 14000963 167229059 /nfs/dbraw/zinc/22/90/59/167229059.db2.gz IQSHXHMFRKXLIU-PHIMTYICSA-N 2 1 182.311 1.328 50 0 ADAAMP CC[NH2+]CCC[NH2+]Cc1cccnc1 13734770 167261043 /nfs/dbraw/zinc/26/10/43/167261043.db2.gz OQPKGQCDADGEOL-UHFFFAOYSA-N 2 1 193.294 1.171 50 0 ADAAMP CC[NH2+]CC[NH2+]C1CCCCC1 39712248 167265431 /nfs/dbraw/zinc/26/54/31/167265431.db2.gz YVWCJMITLSXEQB-UHFFFAOYSA-N 2 1 170.300 1.518 50 0 in-vitro ADAAMP CC[NH2+]CC[NH+]1CCCCCC1 32445498 167267263 /nfs/dbraw/zinc/26/72/63/167267263.db2.gz XGFQAQPRHSNKRA-UHFFFAOYSA-N 2 1 170.300 1.472 50 0 in-vitro ADAAMP CC[NH2+]C[C@@H]1CCC[N@@H+]1CC 19960685 167271125 /nfs/dbraw/zinc/27/11/25/167271125.db2.gz VXZJMCUARPMTDY-VIFPVBQESA-N 2 1 156.273 1.080 50 0 in-vitro ADAAMP CC[NH2+]C[C@@H]1CCC[N@H+]1CC 19960685 167271127 /nfs/dbraw/zinc/27/11/27/167271127.db2.gz VXZJMCUARPMTDY-VIFPVBQESA-N 2 1 156.273 1.080 50 0 in-vitro ADAAMP CC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 75847967 167272056 /nfs/dbraw/zinc/27/20/56/167272056.db2.gz KETNNVWOJGXDOH-RYUDHWBXSA-N 2 1 196.338 1.860 50 0 ADAAMP CC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 72323937 167272500 /nfs/dbraw/zinc/27/25/00/167272500.db2.gz KETNNVWOJGXDOH-NWDGAFQWSA-N 2 1 196.338 1.860 50 0 biogenic ADAAMP CC[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@@H]12 170622845 167273815 /nfs/dbraw/zinc/27/38/15/167273815.db2.gz KETNNVWOJGXDOH-NEPJUHHUSA-N 2 1 196.338 1.860 50 0 ADAAMP CC[NH2+]C[C@H]1CCC[N@@H+]1CC 19960689 167275310 /nfs/dbraw/zinc/27/53/10/167275310.db2.gz VXZJMCUARPMTDY-SECBINFHSA-N 2 1 156.273 1.080 50 0 in-vitro ADAAMP CC[NH2+]C[C@H]1CCC[N@H+]1CC 19960689 167275311 /nfs/dbraw/zinc/27/53/11/167275311.db2.gz VXZJMCUARPMTDY-SECBINFHSA-N 2 1 156.273 1.080 50 0 in-vitro ADAAMP CC[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@H]12 85389431 167275430 /nfs/dbraw/zinc/27/54/30/167275430.db2.gz KETNNVWOJGXDOH-VXGBXAGGSA-N 2 1 196.338 1.860 50 0 ADAAMP CCc1[nH+]ccn1C[C@H]1CCC[NH2+]1 43496198 167780108 /nfs/dbraw/zinc/78/01/08/167780108.db2.gz UFCIBZMBMGFIJG-SECBINFHSA-N 2 1 179.267 1.198 50 0 ADAAMP C[N@H+]1CCC[NH2+]CC12CCCCC2 40449066 167904094 /nfs/dbraw/zinc/90/40/94/167904094.db2.gz QMMCQKSDYSLBAW-UHFFFAOYSA-N 2 1 182.311 1.614 50 0 ADAAMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C 49753020 168000184 /nfs/dbraw/zinc/00/01/84/168000184.db2.gz JVGRPGFRWNJJPB-VIFPVBQESA-N 2 1 156.273 1.080 50 0 in-vitro ADAAMP C[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 61714953 168006796 /nfs/dbraw/zinc/00/67/96/168006796.db2.gz FMDVQPTUYDTXHO-WDEREUQCSA-N 2 1 182.311 1.470 50 0 biogenic ADAAMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 11891844 168007895 /nfs/dbraw/zinc/00/78/95/168007895.db2.gz XWFNVFMJHRSQIC-JTQLQIEISA-N 2 1 170.300 1.184 50 0 in-vitro ADAAMP C[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 75611260 168007962 /nfs/dbraw/zinc/00/79/62/168007962.db2.gz FMDVQPTUYDTXHO-QWRGUYRKSA-N 2 1 182.311 1.470 50 0 ADAAMP C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 4384299 168008392 /nfs/dbraw/zinc/00/83/92/168008392.db2.gz YOGRGJFVVOUGCH-JTQLQIEISA-N 2 1 170.300 1.326 50 0 in-vitro ADAAMP C[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@@H]12 170609431 168011972 /nfs/dbraw/zinc/01/19/72/168011972.db2.gz FMDVQPTUYDTXHO-MNOVXSKESA-N 2 1 182.311 1.470 50 0 ADAAMP C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 4384298 168013283 /nfs/dbraw/zinc/01/32/83/168013283.db2.gz YOGRGJFVVOUGCH-SNVBAGLBSA-N 2 1 170.300 1.326 50 0 in-vitro ADAAMP C[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@H]12 72220528 168013446 /nfs/dbraw/zinc/01/34/46/168013446.db2.gz FMDVQPTUYDTXHO-GHMZBOCLSA-N 2 1 182.311 1.470 50 0 ADAAMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 11891848 168014875 /nfs/dbraw/zinc/01/48/75/168014875.db2.gz XWFNVFMJHRSQIC-SNVBAGLBSA-N 2 1 170.300 1.184 50 0 in-vitro ADAAMP C[NH2+]Cc1ccc2c(c1)C[N@H+](C)C2 19088808 168018916 /nfs/dbraw/zinc/01/89/16/168018916.db2.gz WCPFNQUISYJYBC-UHFFFAOYSA-N 2 1 176.263 1.351 50 0 in-vitro ADAAMP C[NH2+][C@@H](C[NH+]1CCCCC1)C1CC1 68893612 168036108 /nfs/dbraw/zinc/03/61/08/168036108.db2.gz NZZAHGODAJSKSA-NSHDSACASA-N 2 1 182.311 1.470 50 0 ADAAMP C[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C 95079624 168040910 /nfs/dbraw/zinc/04/09/10/168040910.db2.gz MGFSHCOCJMZNSV-RKDXNWHRSA-N 2 1 156.273 1.079 50 0 ADAAMP C[NH2+][C@H](C[NH+]1CCCCC1)C1CC1 68893614 168054469 /nfs/dbraw/zinc/05/44/69/168054469.db2.gz NZZAHGODAJSKSA-LLVKDONJSA-N 2 1 182.311 1.470 50 0 ADAAMP C[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C 95079623 168054941 /nfs/dbraw/zinc/05/49/41/168054941.db2.gz MGFSHCOCJMZNSV-IUCAKERBSA-N 2 1 156.273 1.079 50 0 ADAAMP C[C@@H](CC[NH3+])[N@@H+](C)Cc1ccccc1 19779199 168337195 /nfs/dbraw/zinc/33/71/95/168337195.db2.gz HGDNYWBJWULGKT-NSHDSACASA-N 2 1 192.306 1.856 50 0 in-vitro ADAAMP C[C@@H](C[NH3+])[NH2+]Cc1ccccc1 19366432 168344685 /nfs/dbraw/zinc/34/46/85/168344685.db2.gz LHNRUKBQFAJHLL-VIFPVBQESA-N 2 1 164.252 1.123 50 0 in-vitro ADAAMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 69724542 168368347 /nfs/dbraw/zinc/36/83/47/168368347.db2.gz QJHMDAYMKUALJA-NXEZZACHSA-N 2 1 182.311 1.598 50 0 in-vitro ADAAMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 69724548 168368391 /nfs/dbraw/zinc/36/83/91/168368391.db2.gz QJHMDAYMKUALJA-ZJUUUORDSA-N 2 1 182.311 1.598 50 0 in-vitro ADAAMP C[C@@H]([NH2+]CC[NH3+])c1ccccc1 19366125 168380501 /nfs/dbraw/zinc/38/05/01/168380501.db2.gz PPLYZPAMMOECNS-SECBINFHSA-N 2 1 164.252 1.296 50 0 in-vitro ADAAMP C[C@@H]1CCC[N@@H+](CCCC(N)=[NH2+])C1 19514017 168418937 /nfs/dbraw/zinc/41/89/37/168418937.db2.gz MTPUORXKRXZQGH-SECBINFHSA-N 2 1 183.299 1.434 50 0 in-vitro ADAAMP C[C@H]1CCC[N@@H+](CCCC[NH3+])C1 4226752 168603715 /nfs/dbraw/zinc/60/37/15/168603715.db2.gz SMIJPPCHKFBTMW-JTQLQIEISA-N 2 1 170.300 1.457 50 0 ADAAMP Cn1cc[nH+]c1CC[C@@H]1CCCC[NH2+]1 19088963 169051116 /nfs/dbraw/zinc/05/11/16/169051116.db2.gz UGZHKOHMLHYYQC-JTQLQIEISA-N 2 1 193.294 1.495 50 0 ADAAMP Cn1cc[nH+]c1CC[C@H]1CCCC[NH2+]1 19088966 169051735 /nfs/dbraw/zinc/05/17/35/169051735.db2.gz UGZHKOHMLHYYQC-SNVBAGLBSA-N 2 1 193.294 1.495 50 0 ADAAMP Cn1cc[nH+]c1[C@@H]1CCC[C@@H]([NH3+])C1 70637051 169053282 /nfs/dbraw/zinc/05/32/82/169053282.db2.gz SQABZNUSMMDNOR-RKDXNWHRSA-N 2 1 179.267 1.405 50 0 in-vitro ADAAMP Cn1cc[nH+]c1[C@H]1CCC[C@H]([NH3+])C1 70637050 169053481 /nfs/dbraw/zinc/05/34/81/169053481.db2.gz SQABZNUSMMDNOR-IUCAKERBSA-N 2 1 179.267 1.405 50 0 in-vitro ADAAMP Cn1cc[nH+]c1[C@H]1CCC[C@@H]([NH3+])C1 70637053 169053727 /nfs/dbraw/zinc/05/37/27/169053727.db2.gz SQABZNUSMMDNOR-DTWKUNHWSA-N 2 1 179.267 1.405 50 0 in-vitro ADAAMP Cn1cc[nH+]c1[C@@H]1CCC[C@H]([NH3+])C1 70637048 169053948 /nfs/dbraw/zinc/05/39/48/169053948.db2.gz SQABZNUSMMDNOR-BDAKNGLRSA-N 2 1 179.267 1.405 50 0 in-vitro ADAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 4203927 169216626 /nfs/dbraw/zinc/21/66/26/169216626.db2.gz SUAKIVNGQVUKJA-GFCCVEGCSA-N 2 1 190.290 1.467 50 0 in-vitro ADAAMP [NH3+]C1CC[NH+](Cc2ccncc2)CC1 15635575 169173618 /nfs/dbraw/zinc/17/36/18/169173618.db2.gz XFBCPLXWYFVCTB-UHFFFAOYSA-N 2 1 191.278 1.005 50 0 in-vitro ADAAMP [NH3+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2C1CC1 38343297 169174064 /nfs/dbraw/zinc/17/40/64/169174064.db2.gz HRBBQZVAAHKYHY-UQPYNNQESA-N 2 1 180.295 1.493 50 0 ADAAMP [NH3+]CCC[NH2+]Cc1ccccc1Cl 3852006 169183215 /nfs/dbraw/zinc/18/32/15/169183215.db2.gz JZOYFMYXSKQFAR-UHFFFAOYSA-N 2 1 198.697 1.778 50 0 ADAAMP [NH3+]CCC[NH+]1Cc2ccccc2C1 4992585 169183406 /nfs/dbraw/zinc/18/34/06/169183406.db2.gz GZYPBRJGFKDLLK-UHFFFAOYSA-N 2 1 176.263 1.351 50 0 ADAAMP [NH3+]CCC[N@H+]1CCc2ccccc2C1 4226739 169183720 /nfs/dbraw/zinc/18/37/20/169183720.db2.gz OZWGXKVQFUBMTE-UHFFFAOYSA-N 2 1 190.290 1.394 50 0 in-vitro ADAAMP [NH3+]CCC[NH2+]Cc1ccccc1F 37713383 169184140 /nfs/dbraw/zinc/18/41/40/169184140.db2.gz KHMBJNWMTRWPIH-UHFFFAOYSA-N 2 1 182.242 1.264 50 0 ADAAMP [NH3+]CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 36826555 169186726 /nfs/dbraw/zinc/18/67/26/169186726.db2.gz KUNDBSJXRYATDX-GHMZBOCLSA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@H+]1CCC[C@H]2CCCC[C@H]21 36826555 169186728 /nfs/dbraw/zinc/18/67/28/169186728.db2.gz KUNDBSJXRYATDX-GHMZBOCLSA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 36826557 169186996 /nfs/dbraw/zinc/18/69/96/169186996.db2.gz KUNDBSJXRYATDX-MNOVXSKESA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 36826557 169186998 /nfs/dbraw/zinc/18/69/98/169186998.db2.gz KUNDBSJXRYATDX-MNOVXSKESA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 36826553 169187224 /nfs/dbraw/zinc/18/72/24/169187224.db2.gz KUNDBSJXRYATDX-WDEREUQCSA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 36826553 169187225 /nfs/dbraw/zinc/18/72/25/169187225.db2.gz KUNDBSJXRYATDX-WDEREUQCSA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 36826554 169187773 /nfs/dbraw/zinc/18/77/73/169187773.db2.gz KUNDBSJXRYATDX-QWRGUYRKSA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 36826554 169187774 /nfs/dbraw/zinc/18/77/74/169187774.db2.gz KUNDBSJXRYATDX-QWRGUYRKSA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 242687661 169188561 /nfs/dbraw/zinc/18/85/61/169188561.db2.gz UNOSOYOFHHRTED-MNOVXSKESA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 242687661 169188562 /nfs/dbraw/zinc/18/85/62/169188562.db2.gz UNOSOYOFHHRTED-MNOVXSKESA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 38790891 169189008 /nfs/dbraw/zinc/18/90/08/169189008.db2.gz UNOSOYOFHHRTED-WDEREUQCSA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 38790891 169189009 /nfs/dbraw/zinc/18/90/09/169189009.db2.gz UNOSOYOFHHRTED-WDEREUQCSA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 38790893 169189028 /nfs/dbraw/zinc/18/90/28/169189028.db2.gz UNOSOYOFHHRTED-QWRGUYRKSA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 38790893 169189029 /nfs/dbraw/zinc/18/90/29/169189029.db2.gz UNOSOYOFHHRTED-QWRGUYRKSA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 20135873 169189083 /nfs/dbraw/zinc/18/90/83/169189083.db2.gz UNOSOYOFHHRTED-GHMZBOCLSA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 20135873 169189084 /nfs/dbraw/zinc/18/90/84/169189084.db2.gz UNOSOYOFHHRTED-GHMZBOCLSA-N 2 1 182.311 1.457 50 0 ADAAMP [NH3+]CC[NH2+]C12CC3CC(CC(C3)C1)C2 19366693 169190227 /nfs/dbraw/zinc/19/02/27/169190227.db2.gz IQMUFNISQFPZJC-UHFFFAOYSA-N 2 1 194.322 1.504 50 0 ADAAMP [NH3+]CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 19089438 169194608 /nfs/dbraw/zinc/19/46/08/169194608.db2.gz XQCAESFHFWSFTC-WDEREUQCSA-N 2 1 182.311 1.600 50 0 in-vitro ADAAMP [NH3+]C[C@@H]1CCC[N@H+](C2CCCCC2)C1 12953693 169207375 /nfs/dbraw/zinc/20/73/75/169207375.db2.gz FNSJEOPMBGXGSZ-NSHDSACASA-N 2 1 196.338 1.990 50 0 ADAAMP [NH3+]C[C@@H]1CC[N@H+](C2CCCCC2)C1 11891225 169207595 /nfs/dbraw/zinc/20/75/95/169207595.db2.gz SIQRKOMGBAVKOH-JTQLQIEISA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 22910092 169207720 /nfs/dbraw/zinc/20/77/20/169207720.db2.gz OEYAFMGVIFWPQI-LBPRGKRZSA-N 2 1 190.290 1.610 50 0 in-vitro ADAAMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 22910092 169207721 /nfs/dbraw/zinc/20/77/21/169207721.db2.gz OEYAFMGVIFWPQI-LBPRGKRZSA-N 2 1 190.290 1.610 50 0 in-vitro ADAAMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccco2)C1 38534334 169207800 /nfs/dbraw/zinc/20/78/00/169207800.db2.gz NRNLTSHXEJITJL-JTQLQIEISA-N 2 1 194.278 1.450 50 0 in-vitro ADAAMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccco2)C1 38534334 169207801 /nfs/dbraw/zinc/20/78/01/169207801.db2.gz NRNLTSHXEJITJL-JTQLQIEISA-N 2 1 194.278 1.450 50 0 in-vitro ADAAMP [NH3+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 4577241 169208102 /nfs/dbraw/zinc/20/81/02/169208102.db2.gz WSBDCEJEINRUML-VHSXEESVSA-N 2 1 168.284 1.210 50 0 biogenic ADAAMP [NH3+]C[C@@H]1CC[N@H+](C2CCCC2)C1 11891216 169208166 /nfs/dbraw/zinc/20/81/66/169208166.db2.gz MGDCKTCOYNYEIP-VIFPVBQESA-N 2 1 168.284 1.210 50 0 ADAAMP [NH3+]C[C@@H]1CCC[N@H+](C2CCCC2)C1 16941902 169208170 /nfs/dbraw/zinc/20/81/70/169208170.db2.gz ZLTWPPIYKFZCGN-JTQLQIEISA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 4203928 169208534 /nfs/dbraw/zinc/20/85/34/169208534.db2.gz SUAKIVNGQVUKJA-LBPRGKRZSA-N 2 1 190.290 1.467 50 0 in-vitro ADAAMP [NH3+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 2586579 169208571 /nfs/dbraw/zinc/20/85/71/169208571.db2.gz WSBDCEJEINRUML-UWVGGRQHSA-N 2 1 168.284 1.210 50 0 ADAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccco2)C1 11891252 169208885 /nfs/dbraw/zinc/20/88/85/169208885.db2.gz MADYJBIEHBDZAH-VIFPVBQESA-N 2 1 180.251 1.060 50 0 in-vitro ADAAMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 11888281 169208909 /nfs/dbraw/zinc/20/89/09/169208909.db2.gz KVIREKJXRDXREV-JTQLQIEISA-N 2 1 168.284 1.067 50 0 ADAAMP [NH3+]C[C@H]1CCC[N@@H+](CC2CC2)C1 11888285 169214549 /nfs/dbraw/zinc/21/45/49/169214549.db2.gz KVIREKJXRDXREV-SNVBAGLBSA-N 2 1 168.284 1.067 50 0 ADAAMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccco2)C1 38534332 169214884 /nfs/dbraw/zinc/21/48/84/169214884.db2.gz NRNLTSHXEJITJL-SNVBAGLBSA-N 2 1 194.278 1.450 50 0 in-vitro ADAAMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccco2)C1 38534332 169214886 /nfs/dbraw/zinc/21/48/86/169214886.db2.gz NRNLTSHXEJITJL-SNVBAGLBSA-N 2 1 194.278 1.450 50 0 in-vitro ADAAMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 22910095 169215037 /nfs/dbraw/zinc/21/50/37/169215037.db2.gz OEYAFMGVIFWPQI-GFCCVEGCSA-N 2 1 190.290 1.610 50 0 in-vitro ADAAMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1 22910095 169215038 /nfs/dbraw/zinc/21/50/38/169215038.db2.gz OEYAFMGVIFWPQI-GFCCVEGCSA-N 2 1 190.290 1.610 50 0 in-vitro ADAAMP [NH3+]C[C@H]1CCC[N@H+](C2CCCCC2)C1 12953696 169215127 /nfs/dbraw/zinc/21/51/27/169215127.db2.gz FNSJEOPMBGXGSZ-LLVKDONJSA-N 2 1 196.338 1.990 50 0 ADAAMP [NH3+]C[C@H]1CCC[N@H+](C2CCCC2)C1 16941907 169215180 /nfs/dbraw/zinc/21/51/80/169215180.db2.gz ZLTWPPIYKFZCGN-SNVBAGLBSA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+]C[C@H]1CCC[N@H+]2CCCC[C@H]12 91557 169215893 /nfs/dbraw/zinc/21/58/93/169215893.db2.gz WSBDCEJEINRUML-NXEZZACHSA-N 2 1 168.284 1.210 50 0 ADAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccco2)C1 11891253 169215916 /nfs/dbraw/zinc/21/59/16/169215916.db2.gz MADYJBIEHBDZAH-SECBINFHSA-N 2 1 180.251 1.060 50 0 in-vitro ADAAMP [NH3+]C[C@H]1CCC[N@H+]2CCCC[C@@H]12 4342787 169216033 /nfs/dbraw/zinc/21/60/33/169216033.db2.gz WSBDCEJEINRUML-ZJUUUORDSA-N 2 1 168.284 1.210 50 0 ADAAMP [NH3+]C[C@H]1CC[N@H+](C2CCCC2)C1 11891220 169216309 /nfs/dbraw/zinc/21/63/09/169216309.db2.gz MGDCKTCOYNYEIP-SECBINFHSA-N 2 1 168.284 1.210 50 0 ADAAMP [NH3+]C[C@H]1CC[N@H+](C2CCCCC2)C1 11891227 169216349 /nfs/dbraw/zinc/21/63/49/169216349.db2.gz SIQRKOMGBAVKOH-SNVBAGLBSA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+][C@@H]1CC[N@@H+](C2CCCCC2)C1 20160409 169253781 /nfs/dbraw/zinc/25/37/81/169253781.db2.gz DPEPZAJVZHRORQ-SECBINFHSA-N 2 1 168.284 1.352 50 0 in-vitro ADAAMP [NH3+][C@@H]1CC[N@H+](C2CCCCC2)C1 20160409 169253782 /nfs/dbraw/zinc/25/37/82/169253782.db2.gz DPEPZAJVZHRORQ-SECBINFHSA-N 2 1 168.284 1.352 50 0 in-vitro ADAAMP [NH3+][C@@H]1CC[N@H+](CC2CCCCC2)C1 37259773 169253884 /nfs/dbraw/zinc/25/38/84/169253884.db2.gz SBSSXCKDVHHANA-LLVKDONJSA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+][C@@H]1CC[N@@H+](CC2CCCCC2)C1 37259773 169253885 /nfs/dbraw/zinc/25/38/85/169253885.db2.gz SBSSXCKDVHHANA-LLVKDONJSA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+][C@@H]1CC[N@H+](CC2CCCC2)C1 37258674 169253895 /nfs/dbraw/zinc/25/38/95/169253895.db2.gz RNXHKXQZFWIFAD-SNVBAGLBSA-N 2 1 168.284 1.210 50 0 in-vitro ADAAMP [NH3+][C@@H]1CC[N@@H+](CC2CCCC2)C1 37258674 169253896 /nfs/dbraw/zinc/25/38/96/169253896.db2.gz RNXHKXQZFWIFAD-SNVBAGLBSA-N 2 1 168.284 1.210 50 0 in-vitro ADAAMP [NH3+][C@@H]1CCc2[nH+]c3c(n2C1)CCCC3 70626514 169257214 /nfs/dbraw/zinc/25/72/14/169257214.db2.gz NZYXMKZZJQFJTJ-MRVPVSSYSA-N 2 1 191.278 1.035 50 0 in-vitro ADAAMP [NH3+][C@H]1CC[N@H+](CC2CCCC2)C1 37258671 169274261 /nfs/dbraw/zinc/27/42/61/169274261.db2.gz RNXHKXQZFWIFAD-JTQLQIEISA-N 2 1 168.284 1.210 50 0 in-vitro ADAAMP [NH3+][C@H]1CC[N@@H+](CC2CCCC2)C1 37258671 169274262 /nfs/dbraw/zinc/27/42/62/169274262.db2.gz RNXHKXQZFWIFAD-JTQLQIEISA-N 2 1 168.284 1.210 50 0 in-vitro ADAAMP [NH3+][C@H]1CC[N@H+](CC2CCCCC2)C1 34500213 169275236 /nfs/dbraw/zinc/27/52/36/169275236.db2.gz SBSSXCKDVHHANA-NSHDSACASA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+][C@H]1CC[N@@H+](CC2CCCCC2)C1 34500213 169275237 /nfs/dbraw/zinc/27/52/37/169275237.db2.gz SBSSXCKDVHHANA-NSHDSACASA-N 2 1 182.311 1.600 50 0 ADAAMP [NH3+][C@H]1CC[N@@H+](C2CCCCC2)C1 20160412 169275278 /nfs/dbraw/zinc/27/52/78/169275278.db2.gz DPEPZAJVZHRORQ-VIFPVBQESA-N 2 1 168.284 1.352 50 0 in-vitro ADAAMP [NH3+][C@H]1CC[N@H+](C2CCCCC2)C1 20160412 169275280 /nfs/dbraw/zinc/27/52/80/169275280.db2.gz DPEPZAJVZHRORQ-VIFPVBQESA-N 2 1 168.284 1.352 50 0 in-vitro ADAAMP [NH3+][C@H]1CCc2[nH+]c3c(n2C1)CCCC3 70626515 169277494 /nfs/dbraw/zinc/27/74/94/169277494.db2.gz NZYXMKZZJQFJTJ-QMMMGPOBSA-N 2 1 191.278 1.035 50 0 in-vitro ADAAMP [NH3+][C@H]1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 100047142 169281609 /nfs/dbraw/zinc/28/16/09/169281609.db2.gz AWZOKHOIEDMSLL-GDNZZTSVSA-N 2 1 188.274 1.076 50 0 in-vitro ADAAMP Nc1cc(C2CC[NH2+]CC2)cc[nH+]1 44122006 169284679 /nfs/dbraw/zinc/28/46/79/169284679.db2.gz GHSMUAABTWCKTQ-UHFFFAOYSA-N 2 1 177.251 1.131 50 0 ADAAMP Nc1cc([C@H]2CCC[NH2+]C2)cc[nH+]1 98210162 169286820 /nfs/dbraw/zinc/28/68/20/169286820.db2.gz UOSVRLZCAUNTDF-VIFPVBQESA-N 2 1 177.251 1.131 50 0 in-vitro ADAAMP Nc1cc([C@@H]2CCC[NH2+]C2)cc[nH+]1 98210161 169287718 /nfs/dbraw/zinc/28/77/18/169287718.db2.gz UOSVRLZCAUNTDF-SECBINFHSA-N 2 1 177.251 1.131 50 0 in-vitro ADAAMP Nc1ccc(C2CC[NH2+]CC2)c[nH+]1 44121996 169291148 /nfs/dbraw/zinc/29/11/48/169291148.db2.gz WLZYZVMUWFTMCD-UHFFFAOYSA-N 2 1 177.251 1.131 50 0 ADAAMP C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 3732452 171009843 /nfs/dbraw/zinc/00/98/43/171009843.db2.gz DUVQFTFUAMXIGS-ZJUUUORDSA-N 2 1 168.284 1.080 50 0 in-vitro ADAAMP [NH3+]C1CC[NH+](Cc2cccnc2)CC1 6677799 171020329 /nfs/dbraw/zinc/02/03/29/171020329.db2.gz MSXJQLZTWITCEC-UHFFFAOYSA-N 2 1 191.278 1.005 50 0 in-vitro ADAAMP C[NH+]1CCC([NH2+]C2CCCC2)CC1 6420380 171020390 /nfs/dbraw/zinc/02/03/90/171020390.db2.gz FVIRZNRVKWLYJB-UHFFFAOYSA-N 2 1 182.311 1.613 50 0 in-vitro ADAAMP [NH3+]C1CC[NH+](Cc2cccs2)CC1 11729460 171023479 /nfs/dbraw/zinc/02/34/79/171023479.db2.gz NQQVCDIEQDMPOD-UHFFFAOYSA-N 2 1 196.319 1.671 50 0 in-vitro ADAAMP [NH3+]C1CC[NH+](Cc2ccco2)CC1 15423802 171029509 /nfs/dbraw/zinc/02/95/09/171029509.db2.gz HLOJZOPKEIBEMP-UHFFFAOYSA-N 2 1 180.251 1.203 50 0 ADAAMP C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 19686832 171034853 /nfs/dbraw/zinc/03/48/53/171034853.db2.gz SILVGYURSMUTGA-LLVKDONJSA-N 2 1 182.311 1.470 50 0 ADAAMP C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 19686834 171034954 /nfs/dbraw/zinc/03/49/54/171034954.db2.gz SILVGYURSMUTGA-NSHDSACASA-N 2 1 182.311 1.470 50 0 ADAAMP c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 19735121 171035645 /nfs/dbraw/zinc/03/56/45/171035645.db2.gz JTJTYCPQUOROFM-UHFFFAOYSA-N 2 1 190.290 1.482 50 0 in-vitro ADAAMP c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 19735121 171035646 /nfs/dbraw/zinc/03/56/46/171035646.db2.gz JTJTYCPQUOROFM-UHFFFAOYSA-N 2 1 190.290 1.482 50 0 in-vitro ADAAMP [NH3+]C1CC[NH+](Cc2ccsc2)CC1 20521624 171040214 /nfs/dbraw/zinc/04/02/14/171040214.db2.gz NTNFMOPKOCZICX-UHFFFAOYSA-N 2 1 196.319 1.671 50 0 in-vitro ADAAMP CC(C)(C)[C@@H]([NH3+])C[NH+]1CCCC1 32445494 171050843 /nfs/dbraw/zinc/05/08/43/171050843.db2.gz IWODVMXFHKPVBD-VIFPVBQESA-N 2 1 170.300 1.456 50 0 ADAAMP C[N@@H+]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 38202338 171068670 /nfs/dbraw/zinc/06/86/70/171068670.db2.gz PAASZFYAZDIBJQ-QWRGUYRKSA-N 2 1 182.311 1.613 50 0 ADAAMP C[N@H+]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 38202338 171068671 /nfs/dbraw/zinc/06/86/71/171068671.db2.gz PAASZFYAZDIBJQ-QWRGUYRKSA-N 2 1 182.311 1.613 50 0 ADAAMP [NH3+]CC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 38343317 171069103 /nfs/dbraw/zinc/06/91/03/171069103.db2.gz ZUASHELDOVYWKV-UQPYNNQESA-N 2 1 180.295 1.351 50 0 ADAAMP Cc1ccccc1C[NH2+]CC[NH3+] 38595038 171069881 /nfs/dbraw/zinc/06/98/81/171069881.db2.gz WJKMFHVWDDNEQN-UHFFFAOYSA-N 2 1 164.252 1.043 50 0 in-vitro ADAAMP C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 39706080 171079934 /nfs/dbraw/zinc/07/99/34/171079934.db2.gz PAASZFYAZDIBJQ-WDEREUQCSA-N 2 1 182.311 1.613 50 0 ADAAMP C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 39706080 171079936 /nfs/dbraw/zinc/07/99/36/171079936.db2.gz PAASZFYAZDIBJQ-WDEREUQCSA-N 2 1 182.311 1.613 50 0 ADAAMP [NH3+]CC1C[NH+](Cc2ccccc2)C1 42784291 171086579 /nfs/dbraw/zinc/08/65/79/171086579.db2.gz UMJRHEQDUBTCKT-UHFFFAOYSA-N 2 1 176.263 1.077 50 0 in-vitro ADAAMP [NH3+]C1CC[NH+](CCC(F)(F)F)CC1 60527965 171102192 /nfs/dbraw/zinc/10/21/92/171102192.db2.gz RXMBVCSHXNOZCE-UHFFFAOYSA-N 2 1 196.216 1.362 50 0 ADAAMP C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 67425126 171104752 /nfs/dbraw/zinc/10/47/52/171104752.db2.gz DZAMDNTYVOESPM-UHFFFAOYSA-N 2 1 182.311 1.472 50 0 in-vitro ADAAMP C[N@H+]1CCCC2(CC[NH2+]CC2)C1 67425163 171105332 /nfs/dbraw/zinc/10/53/32/171105332.db2.gz BIEJYKKRBBVADH-UHFFFAOYSA-N 2 1 168.284 1.082 50 0 ADAAMP CCCc1[nH+]ccn1[C@@H]1CCC[NH2+]C1 69964142 171105843 /nfs/dbraw/zinc/10/58/43/171105843.db2.gz IKQUMFGAGSMFMY-SNVBAGLBSA-N 2 1 193.294 1.760 50 0 ADAAMP CCCc1[nH+]ccn1[C@H]1CCC[NH2+]C1 69964145 171105966 /nfs/dbraw/zinc/10/59/66/171105966.db2.gz IKQUMFGAGSMFMY-JTQLQIEISA-N 2 1 193.294 1.760 50 0 ADAAMP CCCc1[nH+]ccn1CCC[NH3+] 70621808 171106491 /nfs/dbraw/zinc/10/64/91/171106491.db2.gz HUJHOLGCXKBRLW-UHFFFAOYSA-N 2 1 167.256 1.184 50 0 ADAAMP C[NH+]1CCC([NH+]2CCCCCC2)CC1 95629623 171136645 /nfs/dbraw/zinc/13/66/45/171136645.db2.gz IHQTYZLQSLQCQJ-UHFFFAOYSA-N 2 1 196.338 1.957 50 0 ADAAMP C[N@@H+]1CCCC[C@H]1[C@H]1CCCC[NH2+]1 245225788 171187544 /nfs/dbraw/zinc/18/75/44/171187544.db2.gz PAASZFYAZDIBJQ-MNOVXSKESA-N 2 1 182.311 1.613 50 0 ADAAMP C[N@H+]1CCCC[C@H]1[C@H]1CCCC[NH2+]1 245225788 171187546 /nfs/dbraw/zinc/18/75/46/171187546.db2.gz PAASZFYAZDIBJQ-MNOVXSKESA-N 2 1 182.311 1.613 50 0 ADAAMP [NH3+]C[C@@]1(CC(F)(F)F)CCC[NH2+]1 261507784 171188124 /nfs/dbraw/zinc/18/81/24/171188124.db2.gz MFXQUQICZMHWRJ-LURJTMIESA-N 2 1 182.189 1.020 50 0 ADAAMP [NH3+]C[C@]1(CC(F)(F)F)CCC[NH2+]1 261507785 171220519 /nfs/dbraw/zinc/22/05/19/171220519.db2.gz MFXQUQICZMHWRJ-ZCFIWIBFSA-N 2 1 182.189 1.020 50 0 ADAAMP CCc1[nH+]ccn1CC1CC[NH2+]CC1 43497871 351528561 /nfs/dbraw/zinc/52/85/61/351528561.db2.gz AEDQWEJVTQRRII-UHFFFAOYSA-N 2 1 193.294 1.445 50 0 ADAAMP [NH3+][C@H]1CC[C@@H](c2[nH]cc[nH+]2)CC1 238693903 325633403 /nfs/dbraw/zinc/63/34/03/325633403.db2.gz DJYYTFMSLFGZJS-ZKCHVHJHSA-N 2 1 165.240 1.395 50 0 ADAAMP C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 106624 342926726 /nfs/dbraw/zinc/92/67/26/342926726.db2.gz HHIKCULWCMZQRO-SNVBAGLBSA-N 2 1 168.284 1.082 50 0 in-vitro ADAAMP C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 106618 342927009 /nfs/dbraw/zinc/92/70/09/342927009.db2.gz HHIKCULWCMZQRO-JTQLQIEISA-N 2 1 168.284 1.082 50 0 in-vitro ADAAMP CCC[NH+]1CCC([NH+]2CCCC2)CC1 182052 342931189 /nfs/dbraw/zinc/93/11/89/342931189.db2.gz YUDYOZMCTYRVGA-UHFFFAOYSA-N 2 1 196.338 1.957 50 0 ADAAMP C[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]C1 1587604 342949503 /nfs/dbraw/zinc/94/95/03/342949503.db2.gz BPOJUAZWENUSBT-UWVGGRQHSA-N 2 1 168.284 1.080 50 0 ADAAMP C[NH+](C)CCC[NH2+]Cc1cccs1 2518422 342973973 /nfs/dbraw/zinc/97/39/73/342973973.db2.gz WNDWOEWEQBGZIE-UHFFFAOYSA-N 2 1 198.335 1.789 50 0 ADAAMP C[C@H]1CCCC[N@H+]1CCC[NH3+] 2567876 342977703 /nfs/dbraw/zinc/97/77/03/342977703.db2.gz YYAYTNPNFKPFNG-VIFPVBQESA-N 2 1 156.273 1.210 50 0 ADAAMP C[NH+](C)CCC[NH2+]Cc1ccccc1 2647841 342979532 /nfs/dbraw/zinc/97/95/32/342979532.db2.gz YRZNCMFHFHBVMC-UHFFFAOYSA-N 2 1 192.306 1.728 50 0 ADAAMP CC[C@H]1CCCC[N@H+]1CCC[NH3+] 2944782 342979975 /nfs/dbraw/zinc/97/99/75/342979975.db2.gz BVQNBPJFOANOTF-JTQLQIEISA-N 2 1 170.300 1.600 50 0 in-vitro ADAAMP CC[C@@H]1CCCC[N@H+]1CCC[NH3+] 2944783 342980095 /nfs/dbraw/zinc/98/00/95/342980095.db2.gz BVQNBPJFOANOTF-SNVBAGLBSA-N 2 1 170.300 1.600 50 0 in-vitro ADAAMP C[N@@H+](CCC[NH3+])Cc1ccccc1 4207346 342988724 /nfs/dbraw/zinc/98/87/24/342988724.db2.gz LZQYISZOMMPPIP-UHFFFAOYSA-N 2 1 178.279 1.467 50 0 in-vitro ADAAMP C[C@H]1CCCC[N@H+]1CCCC[NH3+] 4226748 342988861 /nfs/dbraw/zinc/98/88/61/342988861.db2.gz BGZRDDRSXVZQOG-JTQLQIEISA-N 2 1 170.300 1.600 50 0 ADAAMP C[N@@H+](CCC[NH3+])C1CCCCC1 4226736 342988876 /nfs/dbraw/zinc/98/88/76/342988876.db2.gz GOODZUIQBJNDNO-UHFFFAOYSA-N 2 1 170.300 1.600 50 0 ADAAMP C[N@@H+](CCCC[NH3+])Cc1ccccc1 4226759 342988976 /nfs/dbraw/zinc/98/89/76/342988976.db2.gz LNKXNYGPRVTRQG-UHFFFAOYSA-N 2 1 192.306 1.857 50 0 in-vitro ADAAMP CCCC[N@@H+](C)CCC[NH3+] 4226733 342989004 /nfs/dbraw/zinc/98/90/04/342989004.db2.gz FOIBZJBVQYLKTC-UHFFFAOYSA-N 2 1 144.262 1.067 50 0 in-vitro ADAAMP Cc1cc(C[C@@H]2CCC[NH2+]2)cc(C)[nH+]1 4234790 342989367 /nfs/dbraw/zinc/98/93/67/342989367.db2.gz JOVOYRNMQDYODD-LBPRGKRZSA-N 2 1 190.290 1.993 50 0 ADAAMP Cc1cc(C[C@H]2CCC[NH2+]2)cc(C)[nH+]1 4234791 342989513 /nfs/dbraw/zinc/98/95/13/342989513.db2.gz JOVOYRNMQDYODD-GFCCVEGCSA-N 2 1 190.290 1.993 50 0 ADAAMP C[C@H]1CCC[C@@H](C)[N@H+]1CCC[NH3+] 4299022 342990491 /nfs/dbraw/zinc/99/04/91/342990491.db2.gz GHJFLCNNVJBMEX-AOOOYVTPSA-N 2 1 170.300 1.598 50 0 in-vitro ADAAMP C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 4353089 342990875 /nfs/dbraw/zinc/99/08/75/342990875.db2.gz BPOJUAZWENUSBT-NXEZZACHSA-N 2 1 168.284 1.080 50 0 ADAAMP Cc1[nH+]ccn1-c1ccc(C[NH3+])cc1 4343561 342990901 /nfs/dbraw/zinc/99/09/01/342990901.db2.gz JOMOQABDRBJMDQ-UHFFFAOYSA-N 2 1 187.246 1.639 50 0 in-vitro ADAAMP C[N@H+]1CC[C@@H]([NH3+])[C@H]2CCCC[C@@H]21 4342938 342990965 /nfs/dbraw/zinc/99/09/65/342990965.db2.gz BLYUFWSKCMEZSN-BBBLOLIVSA-N 2 1 168.284 1.208 50 0 ADAAMP C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 4353090 342990970 /nfs/dbraw/zinc/99/09/70/342990970.db2.gz BPOJUAZWENUSBT-ZJUUUORDSA-N 2 1 168.284 1.080 50 0 ADAAMP Cc1[nH+]ccn1-c1ccccc1C[NH3+] 4384391 342991413 /nfs/dbraw/zinc/99/14/13/342991413.db2.gz JCHDRPRQPSKZQK-UHFFFAOYSA-N 2 1 187.246 1.639 50 0 in-vitro ADAAMP Cc1[nH+]ccn1CCC1CC[NH2+]CC1 4386665 342991579 /nfs/dbraw/zinc/99/15/79/342991579.db2.gz FPCPADMQGUJDCY-UHFFFAOYSA-N 2 1 193.294 1.581 50 0 in-vitro ADAAMP CC(C)[N@H+]1CCC[C@H](C[NH3+])C1 4503361 342992416 /nfs/dbraw/zinc/99/24/16/342992416.db2.gz FGNRRDAUWGLVRV-SECBINFHSA-N 2 1 156.273 1.066 50 0 in-vitro ADAAMP CC(C)[N@H+]1CCC[C@@H](C[NH3+])C1 4503362 342992431 /nfs/dbraw/zinc/99/24/31/342992431.db2.gz FGNRRDAUWGLVRV-VIFPVBQESA-N 2 1 156.273 1.066 50 0 in-vitro ADAAMP CC(C)[NH2+]C1CC[NH+](C)CC1 4670185 342993482 /nfs/dbraw/zinc/99/34/82/342993482.db2.gz HFVHITFPTOELAY-UHFFFAOYSA-N 2 1 156.273 1.079 50 0 ADAAMP C[C@H]1C[C@@H]([NH+](C)C)[C@H](C)C[N@H+]1C 4837129 342996572 /nfs/dbraw/zinc/99/65/72/342996572.db2.gz YTSOCSSFMLFCRS-KXUCPTDWSA-N 2 1 170.300 1.277 50 0 ADAAMP C[C@H]1C[C@@H](C)C[N@@H+](CCC[NH3+])C1 4967402 342997416 /nfs/dbraw/zinc/99/74/16/342997416.db2.gz DZXDFGJXATZQKS-AOOOYVTPSA-N 2 1 170.300 1.313 50 0 in-vitro ADAAMP C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 6169414 343013243 /nfs/dbraw/zinc/01/32/43/343013243.db2.gz DUVQFTFUAMXIGS-UWVGGRQHSA-N 2 1 168.284 1.080 50 0 in-vitro ADAAMP CC(C)c1[nH+]ccn1CCC[NH3+] 6677618 343016056 /nfs/dbraw/zinc/01/60/56/343016056.db2.gz BRPFJVKASKRWNZ-UHFFFAOYSA-N 2 1 167.256 1.355 50 0 in-vitro ADAAMP CCC[N@H+]1CCC[C@@H](C[NH3+])C1 11888266 343025953 /nfs/dbraw/zinc/02/59/53/343025953.db2.gz RTTJSPVCYPCHFP-VIFPVBQESA-N 2 1 156.273 1.067 50 0 in-vitro ADAAMP CCC[N@H+]1CCC[C@H](C[NH3+])C1 11888270 343026112 /nfs/dbraw/zinc/02/61/12/343026112.db2.gz RTTJSPVCYPCHFP-SECBINFHSA-N 2 1 156.273 1.067 50 0 in-vitro ADAAMP CCCC[N@H+]1CC[C@@H](C[NH3+])C1 11891199 343026606 /nfs/dbraw/zinc/02/66/06/343026606.db2.gz ZWQDCCSMHQUNBC-VIFPVBQESA-N 2 1 156.273 1.067 50 0 ADAAMP CCCC[N@H+]1CC[C@H](C[NH3+])C1 11891204 343026861 /nfs/dbraw/zinc/02/68/61/343026861.db2.gz ZWQDCCSMHQUNBC-SECBINFHSA-N 2 1 156.273 1.067 50 0 ADAAMP CCCC[N@@H+](C)CC1CC[NH2+]CC1 11953450 343027238 /nfs/dbraw/zinc/02/72/38/343027238.db2.gz OBQZFVSEUKEWTF-UHFFFAOYSA-N 2 1 184.327 1.718 50 0 in-vitro ADAAMP CC(C)[N@H+]1CCCC[C@@H]1CC[NH3+] 12382564 343029692 /nfs/dbraw/zinc/02/96/92/343029692.db2.gz XFKFFPYPUQJYSW-SNVBAGLBSA-N 2 1 170.300 1.598 50 0 in-vitro ADAAMP C[NH+](C)CC[C@@H]([NH3+])c1ccccc1 12397765 343030145 /nfs/dbraw/zinc/03/01/45/343030145.db2.gz HSZKVKCMQAORSG-LLVKDONJSA-N 2 1 178.279 1.638 50 0 in-vitro ADAAMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH2+]1 12954954 343032300 /nfs/dbraw/zinc/03/23/00/343032300.db2.gz BILVABRULMFJNP-QWRGUYRKSA-N 2 1 182.311 1.613 50 0 ADAAMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH2+]1 12954959 343032444 /nfs/dbraw/zinc/03/24/44/343032444.db2.gz BILVABRULMFJNP-MNOVXSKESA-N 2 1 182.311 1.613 50 0 ADAAMP Cc1[nH+]ccn1C[C@@H]1CCC[NH2+]C1 13536007 343035637 /nfs/dbraw/zinc/03/56/37/343035637.db2.gz ZBHMTCQCIMNPNR-SNVBAGLBSA-N 2 1 179.267 1.191 50 0 in-vitro ADAAMP Cc1[nH+]ccn1C[C@H]1CCC[NH2+]C1 13536012 343035805 /nfs/dbraw/zinc/03/58/05/343035805.db2.gz ZBHMTCQCIMNPNR-JTQLQIEISA-N 2 1 179.267 1.191 50 0 in-vitro ADAAMP CCC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 14629107 343039805 /nfs/dbraw/zinc/03/98/05/343039805.db2.gz ZREJVWJLHJZSFO-ZACCUICWSA-N 2 1 182.311 1.611 50 0 in-vitro ADAAMP CC(C)[N@H+]1CCCC[C@H]1CC[NH3+] 15635557 343042302 /nfs/dbraw/zinc/04/23/02/343042302.db2.gz XFKFFPYPUQJYSW-JTQLQIEISA-N 2 1 170.300 1.598 50 0 in-vitro ADAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[NH2+]1 19089479 343049628 /nfs/dbraw/zinc/04/96/28/343049628.db2.gz MKRROSUSQSOCPI-NSHDSACASA-N 2 1 193.294 1.724 50 0 ADAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[NH2+]1 19089482 343049660 /nfs/dbraw/zinc/04/96/60/343049660.db2.gz MKRROSUSQSOCPI-LLVKDONJSA-N 2 1 193.294 1.724 50 0 ADAAMP Cc1ccc(NCCC[NH3+])[nH+]c1 19091519 343050272 /nfs/dbraw/zinc/05/02/72/343050272.db2.gz JWNZOQZHIZZXOY-UHFFFAOYSA-N 2 1 165.240 1.151 50 0 in-vitro ADAAMP CCc1[nH+]ccn1CC1(C[NH3+])CC1 19091852 343050745 /nfs/dbraw/zinc/05/07/45/343050745.db2.gz NPTBUGNUIWFNCG-UHFFFAOYSA-N 2 1 179.267 1.184 50 0 in-vitro ADAAMP CC(C)[N@@H+](C)CCCC[NH3+] 19263725 343052461 /nfs/dbraw/zinc/05/24/61/343052461.db2.gz BBEOCWDIZZEPIR-UHFFFAOYSA-N 2 1 144.262 1.066 50 0 in-vitro ADAAMP Cc1[nH+]ccn1-c1ncccc1C[NH3+] 19262116 343052683 /nfs/dbraw/zinc/05/26/83/343052683.db2.gz CVURHMMJIHLHIJ-UHFFFAOYSA-N 2 1 188.234 1.034 50 0 in-vitro ADAAMP C[C@H]([NH2+]CC[NH3+])c1ccccc1 19369328 343053179 /nfs/dbraw/zinc/05/31/79/343053179.db2.gz PPLYZPAMMOECNS-VIFPVBQESA-N 2 1 164.252 1.296 50 0 in-vitro ADAAMP C[C@H]1C[C@@H](C)C[N@@H+](CCCC[NH3+])C1 19391887 343053911 /nfs/dbraw/zinc/05/39/11/343053911.db2.gz LPCNLOZVHDWVKT-PHIMTYICSA-N 2 1 184.327 1.703 50 0 ADAAMP C[C@H]1C[C@@H](C)C[N@H+](C2CC[NH2+]CC2)C1 19473717 343055895 /nfs/dbraw/zinc/05/58/95/343055895.db2.gz SVXLDJZOZAEIHM-PHIMTYICSA-N 2 1 196.338 1.716 50 0 in-vitro ADAAMP CCC[NH2+]C1CC[NH+](C)CC1 19488792 343056541 /nfs/dbraw/zinc/05/65/41/343056541.db2.gz JLIXDTSZENGGOT-UHFFFAOYSA-N 2 1 156.273 1.080 50 0 ADAAMP CCCC[N@H+](C)C[C@@H]1CCCC[NH2+]1 19512209 343057061 /nfs/dbraw/zinc/05/70/61/343057061.db2.gz NBZDCZFHUHVLNK-NSHDSACASA-N 2 1 184.327 1.860 50 0 ADAAMP CCCC[N@@H+](C)C[C@@H]1CCCC[NH2+]1 19512209 343057063 /nfs/dbraw/zinc/05/70/63/343057063.db2.gz NBZDCZFHUHVLNK-NSHDSACASA-N 2 1 184.327 1.860 50 0 ADAAMP Cc1cccc(C[NH2+]CC[NH3+])c1 19732668 343059307 /nfs/dbraw/zinc/05/93/07/343059307.db2.gz IDBLZFZHJHWCFG-UHFFFAOYSA-N 2 1 164.252 1.043 50 0 ADAAMP C[NH2+]CCC[N@@H+](C)C1CCCCC1 19736982 343059387 /nfs/dbraw/zinc/05/93/87/343059387.db2.gz XDAQFTXIPUUOSE-UHFFFAOYSA-N 2 1 184.327 1.860 50 0 ADAAMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1 19736981 343059612 /nfs/dbraw/zinc/05/96/12/343059612.db2.gz CDRZWWQEJJUXDS-UHFFFAOYSA-N 2 1 192.306 1.728 50 0 in-vitro ADAAMP C[C@H](CC[NH3+])[N@@H+](C)Cc1ccccc1 19779200 343060406 /nfs/dbraw/zinc/06/04/06/343060406.db2.gz HGDNYWBJWULGKT-LLVKDONJSA-N 2 1 192.306 1.856 50 0 in-vitro ADAAMP Cc1ccc(NC2CC[NH2+]CC2)[nH+]c1 19802523 343060740 /nfs/dbraw/zinc/06/07/40/343060740.db2.gz ZHESHQYMQHBMLD-UHFFFAOYSA-N 2 1 191.278 1.554 50 0 ADAAMP C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 20270227 343070864 /nfs/dbraw/zinc/07/08/64/343070864.db2.gz CYIPMFGUWLWJBY-NWDGAFQWSA-N 2 1 196.338 1.718 50 0 ADAAMP C[NH+](C)CCCNc1[nH+]cccc1N 20278664 343070967 /nfs/dbraw/zinc/07/09/67/343070967.db2.gz OVJSDEYZIVOOFI-UHFFFAOYSA-N 2 1 194.282 1.027 50 0 ADAAMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 20270225 343070971 /nfs/dbraw/zinc/07/09/71/343070971.db2.gz OKEPAFIFRLMKQH-NWDGAFQWSA-N 2 1 196.338 1.860 50 0 in-vitro ADAAMP CC(C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 20284050 343071140 /nfs/dbraw/zinc/07/11/40/343071140.db2.gz JXGZXBQDSKMEOG-UHFFFAOYSA-N 2 1 192.306 1.986 50 0 ADAAMP CC(C)[N@@H+](C)Cc1ccccc1C[NH3+] 20284072 343071393 /nfs/dbraw/zinc/07/13/93/343071393.db2.gz CULZEINBSCZKPS-UHFFFAOYSA-N 2 1 192.306 1.986 50 0 ADAAMP CCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 21948720 343075503 /nfs/dbraw/zinc/07/55/03/343075503.db2.gz ZZADEUCMSDMCEV-NSHDSACASA-N 2 1 184.327 1.718 50 0 ADAAMP CC(C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 21948727 343075521 /nfs/dbraw/zinc/07/55/21/343075521.db2.gz ABFLKMBXZMYJHZ-SNVBAGLBSA-N 2 1 170.300 1.326 50 0 in-vitro ADAAMP CC(C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 21948728 343075528 /nfs/dbraw/zinc/07/55/28/343075528.db2.gz ABFLKMBXZMYJHZ-JTQLQIEISA-N 2 1 170.300 1.326 50 0 in-vitro ADAAMP CCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 21948718 343075593 /nfs/dbraw/zinc/07/55/93/343075593.db2.gz ZZADEUCMSDMCEV-LLVKDONJSA-N 2 1 184.327 1.718 50 0 ADAAMP CC(C)[N@@H+](C)CC1CC[NH2+]CC1 21949057 343075717 /nfs/dbraw/zinc/07/57/17/343075717.db2.gz SLHDSIBGFJHPKB-UHFFFAOYSA-N 2 1 170.300 1.326 50 0 in-vitro ADAAMP CC(C)[N@@H+](C)Cc1cccc(C[NH3+])c1 21951498 343076077 /nfs/dbraw/zinc/07/60/77/343076077.db2.gz AEXPPRUUJRVFNW-UHFFFAOYSA-N 2 1 192.306 1.986 50 0 ADAAMP C[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 21949591 343076139 /nfs/dbraw/zinc/07/61/39/343076139.db2.gz LVDXXPZDCQZLPH-NSHDSACASA-N 2 1 196.338 1.860 50 0 ADAAMP CCCC[N@@H+](CC)CCC[NH3+] 21949835 343076143 /nfs/dbraw/zinc/07/61/43/343076143.db2.gz SMIQOXAFNYRXHC-UHFFFAOYSA-N 2 1 158.289 1.457 50 0 ADAAMP C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[NH2+]1 22129778 343079175 /nfs/dbraw/zinc/07/91/75/343079175.db2.gz PAASZFYAZDIBJQ-GHMZBOCLSA-N 2 1 182.311 1.613 50 0 ADAAMP C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[NH2+]1 22129778 343079178 /nfs/dbraw/zinc/07/91/78/343079178.db2.gz PAASZFYAZDIBJQ-GHMZBOCLSA-N 2 1 182.311 1.613 50 0 ADAAMP Cc1[nH+]ccn1-c1cc(C[NH3+])ccn1 22164097 343079645 /nfs/dbraw/zinc/07/96/45/343079645.db2.gz JKWVFJOYOZHXAY-UHFFFAOYSA-N 2 1 188.234 1.034 50 0 ADAAMP Cc1[nH+]ccn1-c1ccc(C[NH3+])cn1 22176140 343080101 /nfs/dbraw/zinc/08/01/01/343080101.db2.gz BXUZWIDXDFAHAF-UHFFFAOYSA-N 2 1 188.234 1.034 50 0 in-vitro ADAAMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1 22868236 343082447 /nfs/dbraw/zinc/08/24/47/343082447.db2.gz DMPSPBDJFZDNPG-GFCCVEGCSA-N 2 1 192.306 1.760 50 0 ADAAMP C[C@H](C[NH3+])[NH2+]Cc1ccccc1 22873857 343082498 /nfs/dbraw/zinc/08/24/98/343082498.db2.gz LHNRUKBQFAJHLL-SECBINFHSA-N 2 1 164.252 1.123 50 0 ADAAMP CC(C)[N@@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 24540720 343086088 /nfs/dbraw/zinc/08/60/88/343086088.db2.gz UCGIBNODMYFZKN-TXEJJXNPSA-N 2 1 196.338 1.716 50 0 biogenic ADAAMP Cc1cc(CC[NH3+])cc(C)[nH+]1 26460044 343088286 /nfs/dbraw/zinc/08/82/86/343088286.db2.gz SVHQGCGNRHMJSD-UHFFFAOYSA-N 2 1 150.225 1.200 50 0 ADAAMP CC(C)[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 32445524 343102282 /nfs/dbraw/zinc/10/22/82/343102282.db2.gz SXKFQRVOTMKEQZ-VXGBXAGGSA-N 2 1 198.354 1.962 50 0 in-vitro ADAAMP CC(C)[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 32445526 343102372 /nfs/dbraw/zinc/10/23/72/343102372.db2.gz SXKFQRVOTMKEQZ-RYUDHWBXSA-N 2 1 198.354 1.962 50 0 in-vitro ADAAMP CCC1CC[NH+](CC[NH3+])CC1 32445508 343102431 /nfs/dbraw/zinc/10/24/31/343102431.db2.gz IUURUDXVDZPRHL-UHFFFAOYSA-N 2 1 156.273 1.067 50 0 in-vitro ADAAMP CC(C)[NH2+]CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 32445525 343102442 /nfs/dbraw/zinc/10/24/42/343102442.db2.gz SXKFQRVOTMKEQZ-TXEJJXNPSA-N 2 1 198.354 1.962 50 0 in-vitro ADAAMP CC(C)[NH2+]CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 32445525 343102443 /nfs/dbraw/zinc/10/24/43/343102443.db2.gz SXKFQRVOTMKEQZ-TXEJJXNPSA-N 2 1 198.354 1.962 50 0 in-vitro ADAAMP Cc1cc(C)c(C[NH2+]CC[NH3+])c(C)c1 32919768 343103893 /nfs/dbraw/zinc/10/38/93/343103893.db2.gz VQIIZMDRJLGTLK-UHFFFAOYSA-N 2 1 192.306 1.660 50 0 ADAAMP Cc1c[nH+]c2ccc(C[NH3+])cn12 36243343 343142655 /nfs/dbraw/zinc/14/26/55/343142655.db2.gz YWVOZRKEWRXUNP-UHFFFAOYSA-N 2 1 161.208 1.101 50 0 in-vitro ADAAMP Cc1[nH+]c2n(c1CC[NH3+])CCCC2 36379819 343144915 /nfs/dbraw/zinc/14/49/15/343144915.db2.gz OVCRFLLKNDXHEC-UHFFFAOYSA-N 2 1 179.267 1.029 50 0 ADAAMP Cc1[nH]c(C2CC[NH2+]CC2)[nH+]c1C 36874201 343152244 /nfs/dbraw/zinc/15/22/44/343152244.db2.gz BJOVMSOLSTUAIW-UHFFFAOYSA-N 2 1 179.267 1.494 50 0 ADAAMP Cc1[nH]c([C@@H]2CCC[NH2+]C2)[nH+]c1C 36876369 343152917 /nfs/dbraw/zinc/15/29/17/343152917.db2.gz HTDBPCTVBSGCJR-SECBINFHSA-N 2 1 179.267 1.494 50 0 ADAAMP CCC(CC)[N@@H+]1CC[C@H]([NH3+])C1 37241693 343163746 /nfs/dbraw/zinc/16/37/46/343163746.db2.gz RZQCGPVZOABCIU-QMMMGPOBSA-N 2 1 156.273 1.208 50 0 ADAAMP CCC(CC)[N@H+]1CC[C@H]([NH3+])C1 37241693 343163747 /nfs/dbraw/zinc/16/37/47/343163747.db2.gz RZQCGPVZOABCIU-QMMMGPOBSA-N 2 1 156.273 1.208 50 0 ADAAMP Cc1cccc(NC2CC[NH2+]CC2)[nH+]1 37670835 343173690 /nfs/dbraw/zinc/17/36/90/343173690.db2.gz ZFGJDAZNNXTNTD-UHFFFAOYSA-N 2 1 191.278 1.554 50 0 in-vitro ADAAMP C[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 37911099 343180457 /nfs/dbraw/zinc/18/04/57/343180457.db2.gz WYSNSNBDMIDQDR-VIFPVBQESA-N 2 1 168.284 1.223 50 0 ADAAMP Cc1ccc(C[NH2+]CC[NH3+])cc1 38595036 343189673 /nfs/dbraw/zinc/18/96/73/343189673.db2.gz FAMIROKBNMLFLB-UHFFFAOYSA-N 2 1 164.252 1.043 50 0 in-vitro ADAAMP CCCCCC[NH2+]CC[NH3+] 38960067 343192593 /nfs/dbraw/zinc/19/25/93/343192593.db2.gz ADKFRZBUXRKWDL-UHFFFAOYSA-N 2 1 144.262 1.115 50 0 in-vitro ADAAMP CCCC[N@@H+](C)C[C@H](C)[NH3+] 39067645 343195896 /nfs/dbraw/zinc/19/58/96/343195896.db2.gz KKYAVQDTPDXVOL-QMMMGPOBSA-N 2 1 144.262 1.066 50 0 in-vitro ADAAMP CC[C@H](C)[NH2+]CC[NH2+]C1CC1 39712261 343213868 /nfs/dbraw/zinc/21/38/68/343213868.db2.gz JOSKEAMXOFDCMN-QMMMGPOBSA-N 2 1 156.273 1.127 50 0 ADAAMP CC[C@H](C)[NH2+]CC[NH2+]C(C)C 39712265 343214006 /nfs/dbraw/zinc/21/40/06/343214006.db2.gz VELKVXYYFGKWRG-VIFPVBQESA-N 2 1 158.289 1.373 50 0 ADAAMP C[NH2+]CC[NH2+]C1CCCCC1 39712242 343214017 /nfs/dbraw/zinc/21/40/17/343214017.db2.gz IWUHWRSKHTWKHZ-UHFFFAOYSA-N 2 1 156.273 1.128 50 0 ADAAMP CCCC[NH2+]CC[NH2+]C1CC1 39712805 343214152 /nfs/dbraw/zinc/21/41/52/343214152.db2.gz XBRFPLKTKVWZJH-UHFFFAOYSA-N 2 1 156.273 1.128 50 0 ADAAMP CCC[NH2+]CC[NH+]1CCCCCC1 40767502 343223164 /nfs/dbraw/zinc/22/31/64/343223164.db2.gz KETFYLWVTPAULD-UHFFFAOYSA-N 2 1 184.327 1.862 50 0 in-vitro ADAAMP Cc1[nH+]ccn1[C@H]1CCC[NH2+]C1 42290506 343239412 /nfs/dbraw/zinc/23/94/12/343239412.db2.gz RKGOASXMKWMIMO-VIFPVBQESA-N 2 1 165.240 1.116 50 0 in-vitro ADAAMP Cc1[nH+]ccn1[C@@H]1CCC[NH2+]C1 42290503 343239506 /nfs/dbraw/zinc/23/95/06/343239506.db2.gz RKGOASXMKWMIMO-SECBINFHSA-N 2 1 165.240 1.116 50 0 in-vitro ADAAMP CCc1[nH+]ccn1[C@@H]1CCC[NH2+]C1 42304904 343239933 /nfs/dbraw/zinc/23/99/33/343239933.db2.gz PBPIFPBYNAOWNT-SECBINFHSA-N 2 1 179.267 1.370 50 0 in-vitro ADAAMP CCc1[nH+]ccn1[C@H]1CCC[NH2+]C1 42304907 343240073 /nfs/dbraw/zinc/24/00/73/343240073.db2.gz PBPIFPBYNAOWNT-VIFPVBQESA-N 2 1 179.267 1.370 50 0 in-vitro ADAAMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 42783410 343249198 /nfs/dbraw/zinc/24/91/98/343249198.db2.gz USMGXHWFMCYOLP-WDEREUQCSA-N 2 1 182.311 1.328 50 0 ADAAMP CCCC[N@@H+](C)C[C@H]1CC[NH2+]C1 42783402 343249351 /nfs/dbraw/zinc/24/93/51/343249351.db2.gz QLWWYAYOXCEFSV-JTQLQIEISA-N 2 1 170.300 1.328 50 0 ADAAMP CC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 42783426 343249395 /nfs/dbraw/zinc/24/93/95/343249395.db2.gz BKQGLRKYQKWJGE-NEPJUHHUSA-N 2 1 196.338 1.860 50 0 ADAAMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 42783424 343249411 /nfs/dbraw/zinc/24/94/11/343249411.db2.gz WAQHQIPUHASWIO-NSHDSACASA-N 2 1 196.338 1.860 50 0 ADAAMP CCCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 42783401 343249428 /nfs/dbraw/zinc/24/94/28/343249428.db2.gz QLWWYAYOXCEFSV-SNVBAGLBSA-N 2 1 170.300 1.328 50 0 ADAAMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 42783423 343249454 /nfs/dbraw/zinc/24/94/54/343249454.db2.gz WAQHQIPUHASWIO-LLVKDONJSA-N 2 1 196.338 1.860 50 0 ADAAMP C[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 42783408 343249489 /nfs/dbraw/zinc/24/94/89/343249489.db2.gz YYLITIYWIMAUSJ-WDEREUQCSA-N 2 1 182.311 1.470 50 0 ADAAMP CCC[N@H+]1CC[C@@H](CC[NH3+])C1 42784372 343249819 /nfs/dbraw/zinc/24/98/19/343249819.db2.gz LLORSIUDDJDXRH-SECBINFHSA-N 2 1 156.273 1.067 50 0 ADAAMP CCC[N@H+]1CC[C@H](CC[NH3+])C1 42784371 343249828 /nfs/dbraw/zinc/24/98/28/343249828.db2.gz LLORSIUDDJDXRH-VIFPVBQESA-N 2 1 156.273 1.067 50 0 ADAAMP CC(C)[N@H+]1CC[C@@H](CC[NH3+])C1 45660382 343271898 /nfs/dbraw/zinc/27/18/98/343271898.db2.gz FTYCOOVNLZVYEE-SECBINFHSA-N 2 1 156.273 1.066 50 0 in-vitro ADAAMP CC(C)[N@H+]1CC[C@H](CC[NH3+])C1 45660379 343272002 /nfs/dbraw/zinc/27/20/02/343272002.db2.gz FTYCOOVNLZVYEE-VIFPVBQESA-N 2 1 156.273 1.066 50 0 in-vitro ADAAMP C[NH2+]CC[C@H]1CCCC[N@H+]1C 49753022 343276421 /nfs/dbraw/zinc/27/64/21/343276421.db2.gz JVGRPGFRWNJJPB-SECBINFHSA-N 2 1 156.273 1.080 50 0 in-vitro ADAAMP C[N@H+]1CC[C@@H]([NH3+])[C@@H]2CCCC[C@H]21 51144480 343289035 /nfs/dbraw/zinc/28/90/35/343289035.db2.gz BLYUFWSKCMEZSN-IVZWLZJFSA-N 2 1 168.284 1.208 50 0 ADAAMP C[N@H+]1CC[C@H]([NH3+])[C@@H]2CCCC[C@H]21 51144477 343289199 /nfs/dbraw/zinc/28/91/99/343289199.db2.gz BLYUFWSKCMEZSN-LPEHRKFASA-N 2 1 168.284 1.208 50 0 ADAAMP Cc1ccc(NC[C@@H]2CC[NH2+]C2)[nH+]c1 57217710 343336166 /nfs/dbraw/zinc/33/61/66/343336166.db2.gz BRACWWFOQZIZQC-SNVBAGLBSA-N 2 1 191.278 1.411 50 0 in-vitro ADAAMP C[NH+](C)CCC[NH2+]Cc1ccncc1 57322203 343336833 /nfs/dbraw/zinc/33/68/33/343336833.db2.gz KMAISJBXUNWYHY-UHFFFAOYSA-N 2 1 193.294 1.123 50 0 in-vitro ADAAMP C[NH+](C)CCC[NH2+]Cc1cccnc1 57360162 343336979 /nfs/dbraw/zinc/33/69/79/343336979.db2.gz CFERMQFPVPIPKJ-UHFFFAOYSA-N 2 1 193.294 1.123 50 0 ADAAMP C[NH2+]C(C)(C)C[NH+]1CCCC1 61319406 343356089 /nfs/dbraw/zinc/35/60/89/343356089.db2.gz IIUFQJJPNLENQN-UHFFFAOYSA-N 2 1 156.273 1.080 50 0 ADAAMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cccs1 68576709 343411638 /nfs/dbraw/zinc/41/16/38/343411638.db2.gz RLWZIDWJNRGCCU-WCBMZHEXSA-N 2 1 196.319 1.700 50 0 in-vitro ADAAMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccs1 68576708 343411679 /nfs/dbraw/zinc/41/16/79/343411679.db2.gz RLWZIDWJNRGCCU-PSASIEDQSA-N 2 1 196.319 1.700 50 0 in-vitro ADAAMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccccc1 68590548 343412050 /nfs/dbraw/zinc/41/20/50/343412050.db2.gz ARLUXCWBAJJHBT-RYUDHWBXSA-N 2 1 190.290 1.638 50 0 in-vitro ADAAMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccccc1 68590544 343412182 /nfs/dbraw/zinc/41/21/82/343412182.db2.gz ARLUXCWBAJJHBT-NEPJUHHUSA-N 2 1 190.290 1.638 50 0 in-vitro ADAAMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 69724544 343437622 /nfs/dbraw/zinc/43/76/22/343437622.db2.gz QJHMDAYMKUALJA-UWVGGRQHSA-N 2 1 182.311 1.598 50 0 in-vitro ADAAMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 69724539 343437954 /nfs/dbraw/zinc/43/79/54/343437954.db2.gz QJHMDAYMKUALJA-VHSXEESVSA-N 2 1 182.311 1.598 50 0 in-vitro ADAAMP C[N@@H+](C[C@H]1CC12CC[NH2+]CC2)C1CC1 69792486 343441853 /nfs/dbraw/zinc/44/18/53/343441853.db2.gz YOHYTEUXRDRFFM-SNVBAGLBSA-N 2 1 194.322 1.470 50 0 in-vitro ADAAMP C[N@@H+](C[C@@H]1CC12CC[NH2+]CC2)C1CC1 69792484 343441933 /nfs/dbraw/zinc/44/19/33/343441933.db2.gz YOHYTEUXRDRFFM-JTQLQIEISA-N 2 1 194.322 1.470 50 0 in-vitro ADAAMP Cc1c[nH+]ccc1O[C@H]1CCC[NH2+]C1 70047836 343470115 /nfs/dbraw/zinc/47/01/15/343470115.db2.gz QCESIKLGLFAKMM-JTQLQIEISA-N 2 1 192.262 1.521 50 0 ADAAMP Cc1c[nH+]ccc1OC1CC[NH2+]CC1 70047807 343470123 /nfs/dbraw/zinc/47/01/23/343470123.db2.gz BENWPBPEOIGGIL-UHFFFAOYSA-N 2 1 192.262 1.521 50 0 in-vitro ADAAMP Cc1c[nH+]ccc1O[C@@H]1CCC[NH2+]C1 70047834 343470127 /nfs/dbraw/zinc/47/01/27/343470127.db2.gz QCESIKLGLFAKMM-SNVBAGLBSA-N 2 1 192.262 1.521 50 0 ADAAMP Cc1c[nH+]ccc1O[C@H]1CC[NH2+]C1 70047817 343470238 /nfs/dbraw/zinc/47/02/38/343470238.db2.gz ZGMYQZZRALWCSA-VIFPVBQESA-N 2 1 178.235 1.131 50 0 ADAAMP Cc1c[nH+]ccc1O[C@@H]1CC[NH2+]C1 70047816 343470295 /nfs/dbraw/zinc/47/02/95/343470295.db2.gz ZGMYQZZRALWCSA-SECBINFHSA-N 2 1 178.235 1.131 50 0 ADAAMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH3+])C1 71773314 343557410 /nfs/dbraw/zinc/55/74/10/343557410.db2.gz QYXCDNMLYSGHSF-GHMZBOCLSA-N 2 1 184.327 1.846 50 0 ADAAMP CC[C@@H]1CC[C@H](C)[N@@H+](CCC[NH3+])C1 71773312 343557559 /nfs/dbraw/zinc/55/75/59/343557559.db2.gz QYXCDNMLYSGHSF-WDEREUQCSA-N 2 1 184.327 1.846 50 0 ADAAMP CC[C@H]1CC[C@@H](C)[N@@H+](CCC[NH3+])C1 71773315 343557619 /nfs/dbraw/zinc/55/76/19/343557619.db2.gz QYXCDNMLYSGHSF-MNOVXSKESA-N 2 1 184.327 1.846 50 0 ADAAMP CC[C@H]1CC[C@H](C)[N@@H+](CCC[NH3+])C1 71773313 343557633 /nfs/dbraw/zinc/55/76/33/343557633.db2.gz QYXCDNMLYSGHSF-QWRGUYRKSA-N 2 1 184.327 1.846 50 0 ADAAMP Cc1[nH+]c[nH]c1C1CC[NH2+]CC1 76818255 343580130 /nfs/dbraw/zinc/58/01/30/343580130.db2.gz OAAFGNFILDPKMU-UHFFFAOYSA-N 2 1 165.240 1.185 50 0 ADAAMP Cc1c[nH+]cn1C1CC[NH2+]CC1 82655498 343609157 /nfs/dbraw/zinc/60/91/57/343609157.db2.gz PGWYRRSGBUCCOR-UHFFFAOYSA-N 2 1 165.240 1.116 50 0 ADAAMP Cc1[nH+]ccn1CC1CC[NH2+]CC1 85588038 343645592 /nfs/dbraw/zinc/64/55/92/343645592.db2.gz NYNAUDQASKDPGH-UHFFFAOYSA-N 2 1 179.267 1.191 50 0 ADAAMP CCCC[NH2+]C1CC[NH+](C)CC1 95188435 343682457 /nfs/dbraw/zinc/68/24/57/343682457.db2.gz XUTYYTFCEDKHFQ-UHFFFAOYSA-N 2 1 170.300 1.470 50 0 ADAAMP CC1(C[NH3+])C[NH+](Cc2ccccc2)C1 95883769 343689129 /nfs/dbraw/zinc/68/91/29/343689129.db2.gz KZCXGXKNZKWESZ-UHFFFAOYSA-N 2 1 190.290 1.467 50 0 ADAAMP C[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 96319819 343695960 /nfs/dbraw/zinc/69/59/60/343695960.db2.gz ZXUICRDVIUWNIY-JTQLQIEISA-N 2 1 182.311 1.613 50 0 in-vitro ADAAMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cccs1 101421253 343723675 /nfs/dbraw/zinc/72/36/75/343723675.db2.gz RLWZIDWJNRGCCU-WPRPVWTQSA-N 2 1 196.319 1.700 50 0 in-vitro ADAAMP C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 101226772 343723114 /nfs/dbraw/zinc/72/31/14/343723114.db2.gz USMGXHWFMCYOLP-QWRGUYRKSA-N 2 1 182.311 1.328 50 0 ADAAMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 101226769 343723181 /nfs/dbraw/zinc/72/31/81/343723181.db2.gz USMGXHWFMCYOLP-MNOVXSKESA-N 2 1 182.311 1.328 50 0 ADAAMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cccs1 101421255 343723630 /nfs/dbraw/zinc/72/36/30/343723630.db2.gz RLWZIDWJNRGCCU-SCZZXKLOSA-N 2 1 196.319 1.700 50 0 in-vitro ADAAMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccccc1 101382886 343723620 /nfs/dbraw/zinc/72/36/20/343723620.db2.gz ARLUXCWBAJJHBT-NWDGAFQWSA-N 2 1 190.290 1.638 50 0 in-vitro ADAAMP Cc1ccccc1[C@H]1C[NH2+]C[C@H]1[NH3+] 211420101 344377900 /nfs/dbraw/zinc/37/79/00/344377900.db2.gz OAYRXZQFIGUTCS-GHMZBOCLSA-N 2 1 176.263 1.009 50 0 ADAAMP Cc1ccccc1[C@@H]1C[NH2+]C[C@H]1[NH3+] 211420032 344377912 /nfs/dbraw/zinc/37/79/12/344377912.db2.gz OAYRXZQFIGUTCS-WDEREUQCSA-N 2 1 176.263 1.009 50 0 ADAAMP Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1[NH3+] 211419964 344377936 /nfs/dbraw/zinc/37/79/36/344377936.db2.gz OAYRXZQFIGUTCS-MNOVXSKESA-N 2 1 176.263 1.009 50 0 ADAAMP Cc1ccccc1[C@@H]1C[NH2+]C[C@@H]1[NH3+] 211419895 344377940 /nfs/dbraw/zinc/37/79/40/344377940.db2.gz OAYRXZQFIGUTCS-QWRGUYRKSA-N 2 1 176.263 1.009 50 0 ADAAMP [NH3+]C[C@H]1CC[N@@H+]1C1CCCCC1 215767048 344391863 /nfs/dbraw/zinc/39/18/63/344391863.db2.gz UBKIBQJUVGCHNH-SNVBAGLBSA-N 2 1 168.284 1.352 50 0 ADAAMP [NH3+]C[C@H]1CC[N@H+]1C1CCCCC1 215767048 344391864 /nfs/dbraw/zinc/39/18/64/344391864.db2.gz UBKIBQJUVGCHNH-SNVBAGLBSA-N 2 1 168.284 1.352 50 0 ADAAMP [NH3+]C[C@@H]1CC[N@@H+]1C1CCCCC1 215767094 344391953 /nfs/dbraw/zinc/39/19/53/344391953.db2.gz UBKIBQJUVGCHNH-JTQLQIEISA-N 2 1 168.284 1.352 50 0 ADAAMP [NH3+]C[C@@H]1CC[N@H+]1C1CCCCC1 215767094 344391955 /nfs/dbraw/zinc/39/19/55/344391955.db2.gz UBKIBQJUVGCHNH-JTQLQIEISA-N 2 1 168.284 1.352 50 0 ADAAMP CC(C)[C@@H]1C[N@H+]2CCC[C@H]2CN1 238184934 344795362 /nfs/dbraw/zinc/79/53/62/344795362.db2.gz YPMDREPFLIKFTB-UWVGGRQHSA-N 2 1 168.284 1.079 50 0 ADAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 238854565 344823977 /nfs/dbraw/zinc/82/39/77/344823977.db2.gz OKEPAFIFRLMKQH-RYUDHWBXSA-N 2 1 196.338 1.860 50 0 in-vitro ADAAMP CC(C)[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2[NH3+] 238855642 344824234 /nfs/dbraw/zinc/82/42/34/344824234.db2.gz SHYSXJBPBGOXED-ILWJIGKKSA-N 2 1 168.284 1.064 50 0 ADAAMP CC(C)[N@H+]1C[C@@H]2CC[C@H](C1)[C@@H]2[NH3+] 238855643 344824243 /nfs/dbraw/zinc/82/42/43/344824243.db2.gz SHYSXJBPBGOXED-MYJAWHEDSA-N 2 1 168.284 1.064 50 0 ADAAMP C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 239297256 344824422 /nfs/dbraw/zinc/82/44/22/344824422.db2.gz DUVQFTFUAMXIGS-NXEZZACHSA-N 2 1 168.284 1.080 50 0 in-vitro ADAAMP C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 239297257 344824476 /nfs/dbraw/zinc/82/44/76/344824476.db2.gz DUVQFTFUAMXIGS-VHSXEESVSA-N 2 1 168.284 1.080 50 0 in-vitro ADAAMP CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 247722317 344826707 /nfs/dbraw/zinc/82/67/07/344826707.db2.gz BKQGLRKYQKWJGE-NWDGAFQWSA-N 2 1 196.338 1.860 50 0 ADAAMP CC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 247722322 344826703 /nfs/dbraw/zinc/82/67/03/344826703.db2.gz BKQGLRKYQKWJGE-RYUDHWBXSA-N 2 1 196.338 1.860 50 0 ADAAMP C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 247960236 344827088 /nfs/dbraw/zinc/82/70/88/344827088.db2.gz CYIPMFGUWLWJBY-RYUDHWBXSA-N 2 1 196.338 1.718 50 0 ADAAMP C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]C1 248087571 344827279 /nfs/dbraw/zinc/82/72/79/344827279.db2.gz BPOJUAZWENUSBT-VHSXEESVSA-N 2 1 168.284 1.080 50 0 ADAAMP C=C=CC[NH2+]C1CC[NH+](C(C)C)CC1 585136142 346752875 /nfs/dbraw/zinc/75/28/75/346752875.db2.gz SLMUIYCVCDGVJH-UHFFFAOYSA-N 2 1 194.322 1.790 50 0 ADAAMP C[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 299465 351275355 /nfs/dbraw/zinc/27/53/55/351275355.db2.gz HOMQMBUOTAUPAK-SNVBAGLBSA-N 2 1 182.311 1.470 50 0 in-vitro ADAAMP C[C@@H]1CCC[N@@H+](CCC[NH3+])C1 2013389 351300877 /nfs/dbraw/zinc/30/08/77/351300877.db2.gz ADIQUBKLXXCKLT-SECBINFHSA-N 2 1 156.273 1.067 50 0 in-vitro ADAAMP C[C@@H]1CCCC[N@H+]1CCCC[NH3+] 4226747 351325799 /nfs/dbraw/zinc/32/57/99/351325799.db2.gz BGZRDDRSXVZQOG-SNVBAGLBSA-N 2 1 170.300 1.600 50 0 ADAAMP C[C@@H]1CCCC[N@H+]1CCC[NH3+] 4226735 351325826 /nfs/dbraw/zinc/32/58/26/351325826.db2.gz YYAYTNPNFKPFNG-SECBINFHSA-N 2 1 156.273 1.210 50 0 ADAAMP C[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 4226751 351325868 /nfs/dbraw/zinc/32/58/68/351325868.db2.gz SMIJPPCHKFBTMW-SNVBAGLBSA-N 2 1 170.300 1.457 50 0 ADAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH+](C)C 4837126 351334677 /nfs/dbraw/zinc/33/46/77/351334677.db2.gz YTSOCSSFMLFCRS-BBBLOLIVSA-N 2 1 170.300 1.277 50 0 ADAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH+](C)C 4837128 351334765 /nfs/dbraw/zinc/33/47/65/351334765.db2.gz YTSOCSSFMLFCRS-OPRDCNLKSA-N 2 1 170.300 1.277 50 0 ADAAMP CC(C)C[N@H+]1CCC[C@@H](C[NH3+])C1 11888273 351361848 /nfs/dbraw/zinc/36/18/48/351361848.db2.gz AFYKCTGWHMTWLK-JTQLQIEISA-N 2 1 170.300 1.313 50 0 ADAAMP CC(C)C[N@H+]1CCC[C@H](C[NH3+])C1 11888277 351362326 /nfs/dbraw/zinc/36/23/26/351362326.db2.gz AFYKCTGWHMTWLK-SNVBAGLBSA-N 2 1 170.300 1.313 50 0 ADAAMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 12404777 351365409 /nfs/dbraw/zinc/36/54/09/351365409.db2.gz UXHLFFAPGDGJKW-BDAKNGLRSA-N 2 1 156.273 1.066 50 0 ADAAMP CC(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C 13805171 351372006 /nfs/dbraw/zinc/37/20/06/351372006.db2.gz HPZNNGZRGQPIRY-SDDRHHMPSA-N 2 1 198.354 1.961 50 0 ADAAMP CC(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C 13805165 351372101 /nfs/dbraw/zinc/37/21/01/351372101.db2.gz HPZNNGZRGQPIRY-QJPTWQEYSA-N 2 1 198.354 1.961 50 0 ADAAMP CC(C)C[N@H+]1CCCC[C@@H]1CC[NH3+] 19089493 351386372 /nfs/dbraw/zinc/38/63/72/351386372.db2.gz FQDBLXOMWPGHEF-LLVKDONJSA-N 2 1 184.327 1.846 50 0 in-vitro ADAAMP CC(C)C[N@H+]1CCCC[C@H]1CC[NH3+] 19089496 351386406 /nfs/dbraw/zinc/38/64/06/351386406.db2.gz FQDBLXOMWPGHEF-NSHDSACASA-N 2 1 184.327 1.846 50 0 in-vitro ADAAMP CC(C)C[NH2+]C1CC[NH+](C)CC1 19882941 351396538 /nfs/dbraw/zinc/39/65/38/351396538.db2.gz MIZPAEATLRNIMM-UHFFFAOYSA-N 2 1 170.300 1.326 50 0 in-vitro ADAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 20270224 351402316 /nfs/dbraw/zinc/40/23/16/351402316.db2.gz OKEPAFIFRLMKQH-VXGBXAGGSA-N 2 1 196.338 1.860 50 0 in-vitro ADAAMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 20270226 351402839 /nfs/dbraw/zinc/40/28/39/351402839.db2.gz CYIPMFGUWLWJBY-VXGBXAGGSA-N 2 1 196.338 1.718 50 0 ADAAMP C[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 21949590 351409158 /nfs/dbraw/zinc/40/91/58/351409158.db2.gz LVDXXPZDCQZLPH-LLVKDONJSA-N 2 1 196.338 1.860 50 0 ADAAMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 21949652 351409217 /nfs/dbraw/zinc/40/92/17/351409217.db2.gz IHMUZVOIYBRQJI-LLVKDONJSA-N 2 1 196.338 1.718 50 0 in-vitro ADAAMP CC(C)C[N@@H+](C)C1CC[NH2+]CC1 37108669 351463352 /nfs/dbraw/zinc/46/33/52/351463352.db2.gz CBENZCKGTXTGSH-UHFFFAOYSA-N 2 1 170.300 1.326 50 0 ADAAMP C[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 37911098 351475642 /nfs/dbraw/zinc/47/56/42/351475642.db2.gz WYSNSNBDMIDQDR-SECBINFHSA-N 2 1 168.284 1.223 50 0 ADAAMP CC[C@@H](C)[NH2+]CC[NH2+]C1CC1 39712260 351504445 /nfs/dbraw/zinc/50/44/45/351504445.db2.gz JOSKEAMXOFDCMN-MRVPVSSYSA-N 2 1 156.273 1.127 50 0 ADAAMP CC[C@@H](C)[NH2+]CC[NH2+]C(C)C 39712264 351504630 /nfs/dbraw/zinc/50/46/30/351504630.db2.gz VELKVXYYFGKWRG-SECBINFHSA-N 2 1 158.289 1.373 50 0 ADAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 42783407 351524725 /nfs/dbraw/zinc/52/47/25/351524725.db2.gz YYLITIYWIMAUSJ-GHMZBOCLSA-N 2 1 182.311 1.470 50 0 ADAAMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 42783409 351525460 /nfs/dbraw/zinc/52/54/60/351525460.db2.gz USMGXHWFMCYOLP-GHMZBOCLSA-N 2 1 182.311 1.328 50 0 ADAAMP CC(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 57653017 351579887 /nfs/dbraw/zinc/57/98/87/351579887.db2.gz HPZNNGZRGQPIRY-IJLUTSLNSA-N 2 1 198.354 1.961 50 0 ADAAMP CC(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 57653020 351580262 /nfs/dbraw/zinc/58/02/62/351580262.db2.gz HPZNNGZRGQPIRY-GRYCIOLGSA-N 2 1 198.354 1.961 50 0 ADAAMP CC(C)=CC[N@@H+]1CC=C(CC[NH3+])CC1 95221243 351670072 /nfs/dbraw/zinc/67/00/72/351670072.db2.gz XJRFMUVVRXXXRN-UHFFFAOYSA-N 2 1 194.322 1.934 50 0 ADAAMP C[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 96319818 351680861 /nfs/dbraw/zinc/68/08/61/351680861.db2.gz ZXUICRDVIUWNIY-SNVBAGLBSA-N 2 1 182.311 1.613 50 0 in-vitro ADAAMP CC(C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 128868776 351734155 /nfs/dbraw/zinc/73/41/55/351734155.db2.gz XMCDUBXERYSHNR-NEPJUHHUSA-N 2 1 196.338 1.716 50 0 ADAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 238854563 351825836 /nfs/dbraw/zinc/82/58/36/351825836.db2.gz OKEPAFIFRLMKQH-NEPJUHHUSA-N 2 1 196.338 1.860 50 0 in-vitro ADAAMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 247960233 351830387 /nfs/dbraw/zinc/83/03/87/351830387.db2.gz CYIPMFGUWLWJBY-NEPJUHHUSA-N 2 1 196.338 1.718 50 0 ADAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 248098388 351830846 /nfs/dbraw/zinc/83/08/46/351830846.db2.gz YYLITIYWIMAUSJ-QWRGUYRKSA-N 2 1 182.311 1.470 50 0 ADAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 248098385 351831011 /nfs/dbraw/zinc/83/10/11/351831011.db2.gz YYLITIYWIMAUSJ-MNOVXSKESA-N 2 1 182.311 1.470 50 0 ADAAMP CC[N@H+]1CCC[C@@H](CC[NH3+])C1 70074104 375321002 /nfs/dbraw/zinc/32/10/02/375321002.db2.gz MQHMWFNZKVLPAT-VIFPVBQESA-N 2 1 156.273 1.067 50 0 ADAAMP CC[N@H+]1CCC[C@H](CC[NH3+])C1 70074103 375321064 /nfs/dbraw/zinc/32/10/64/375321064.db2.gz MQHMWFNZKVLPAT-SECBINFHSA-N 2 1 156.273 1.067 50 0 ADAAMP C[N@@H+](C[C@H]1CCC[NH2+]C1)CC(C)(C)C 45074017 409365577 /nfs/dbraw/zinc/36/55/77/409365577.db2.gz OBUVEGHBESPDDL-NSHDSACASA-N 2 1 198.354 1.964 50 0 ADAAMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC(C)(C)C 45074016 409366825 /nfs/dbraw/zinc/36/68/25/409366825.db2.gz OBUVEGHBESPDDL-LLVKDONJSA-N 2 1 198.354 1.964 50 0 ADAAMP [NH3+]C[C@@H]1CC[C@H](C2CCCCC2)C[NH2+]1 757212095 630933154 /nfs/dbraw/zinc/93/31/54/630933154.db2.gz LNYAPXUEOUDEIO-RYUDHWBXSA-N 2 1 196.338 1.894 50 0 ADAAMP [NH3+]C[C@@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 757212086 630933217 /nfs/dbraw/zinc/93/32/17/630933217.db2.gz LNYAPXUEOUDEIO-NEPJUHHUSA-N 2 1 196.338 1.894 50 0 ADAAMP [NH3+]C[C@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 757212096 630933468 /nfs/dbraw/zinc/93/34/68/630933468.db2.gz LNYAPXUEOUDEIO-VXGBXAGGSA-N 2 1 196.338 1.894 50 0 ADAAMP [NH3+]C[C@H]1CC[C@H](C2CCCCC2)C[NH2+]1 757212088 630933549 /nfs/dbraw/zinc/93/35/49/630933549.db2.gz LNYAPXUEOUDEIO-NWDGAFQWSA-N 2 1 196.338 1.894 50 0 ADAAMP Nc1ccc(CC2CC[NH2+]CC2)c[nH+]1 238638886 527479796 /nfs/dbraw/zinc/47/97/96/527479796.db2.gz GURZDNOCBUCDBB-UHFFFAOYSA-N 2 1 191.278 1.206 50 0 ADAAMP Nc1ccc(C[C@@H]2CCC[NH2+]C2)c[nH+]1 238640574 527483623 /nfs/dbraw/zinc/48/36/23/527483623.db2.gz YYIXBIFNOMFDOT-VIFPVBQESA-N 2 1 191.278 1.206 50 0 ADAAMP Nc1ccc(C[C@H]2CCC[NH2+]C2)c[nH+]1 238640711 527483660 /nfs/dbraw/zinc/48/36/60/527483660.db2.gz YYIXBIFNOMFDOT-SECBINFHSA-N 2 1 191.278 1.206 50 0 ADAAMP CC(C)c1[nH+]ccn1CC1C[NH2+]C1 306162251 528367288 /nfs/dbraw/zinc/36/72/88/528367288.db2.gz SFPYPZMTYZTMPX-UHFFFAOYSA-N 2 1 179.267 1.226 50 0 ADAAMP