smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000092821443 185343930 /nfs/dbraw/zinc/34/39/30/185343930.db2.gz KHARHGKUSHEWIO-UHFFFAOYSA-N 2 1 314.433 3.117 50 0 DGAAMP Cc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000092821443 185343931 /nfs/dbraw/zinc/34/39/31/185343931.db2.gz KHARHGKUSHEWIO-UHFFFAOYSA-N 2 1 314.433 3.117 50 0 DGAAMP Cc1cc(C)n(CCC[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC000072164385 191063725 /nfs/dbraw/zinc/06/37/25/191063725.db2.gz GSLMQCOMIBUWEX-RBUKOAKNSA-N 2 1 318.509 3.086 50 0 DGAAMP Cc1cc(C)n(CCC[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC000072164385 191063727 /nfs/dbraw/zinc/06/37/27/191063727.db2.gz GSLMQCOMIBUWEX-RBUKOAKNSA-N 2 1 318.509 3.086 50 0 DGAAMP Cc1cc(C)n(CCC[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000072164385 191063728 /nfs/dbraw/zinc/06/37/28/191063728.db2.gz GSLMQCOMIBUWEX-RBUKOAKNSA-N 2 1 318.509 3.086 50 0 DGAAMP Cc1cc(C)n(CCC[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000072164385 191063731 /nfs/dbraw/zinc/06/37/31/191063731.db2.gz GSLMQCOMIBUWEX-RBUKOAKNSA-N 2 1 318.509 3.086 50 0 DGAAMP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCCn3cncc3C2)c1 ZINC000072173847 191069910 /nfs/dbraw/zinc/06/99/10/191069910.db2.gz PUTOXBQTCDRVIO-UHFFFAOYSA-N 2 1 321.428 3.296 50 0 DGAAMP Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCCn3cncc3C2)c1 ZINC000072173847 191069913 /nfs/dbraw/zinc/06/99/13/191069913.db2.gz PUTOXBQTCDRVIO-UHFFFAOYSA-N 2 1 321.428 3.296 50 0 DGAAMP Cc1nc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000072410177 191153762 /nfs/dbraw/zinc/15/37/62/191153762.db2.gz GLFWYJHAGCMFMD-UHFFFAOYSA-N 2 1 313.445 3.327 50 0 DGAAMP Cc1nc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000072410177 191153765 /nfs/dbraw/zinc/15/37/65/191153765.db2.gz GLFWYJHAGCMFMD-UHFFFAOYSA-N 2 1 313.445 3.327 50 0 DGAAMP c1cn(Cc2cccnc2)c(C2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000091644843 193084059 /nfs/dbraw/zinc/08/40/59/193084059.db2.gz HFYFZLJQXQKRHD-UHFFFAOYSA-N 2 1 319.412 3.105 50 0 DGAAMP COc1ccc(/C=C/C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC000065420703 184341436 /nfs/dbraw/zinc/34/14/36/184341436.db2.gz IEVVJYMDNBRLFO-ONEGZZNKSA-N 2 1 300.446 3.126 50 0 DGAAMP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2O1 ZINC000134268413 400575721 /nfs/dbraw/zinc/57/57/21/400575721.db2.gz MUFNPHXCPZJFBN-UHFFFAOYSA-N 2 1 300.446 3.117 50 0 DGAAMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000245338981 401005067 /nfs/dbraw/zinc/00/50/67/401005067.db2.gz PTNWHLDIWJUVMX-PIKOESSRSA-N 2 1 316.489 3.444 50 0 DGAAMP C[C@H](C1CC[NH+](Cc2c[nH]c(CC3CCCC3)n2)CC1)[NH+](C)C ZINC000077407509 431591975 /nfs/dbraw/zinc/59/19/75/431591975.db2.gz DNVUZUFLTLBODW-OAHLLOKOSA-N 2 1 318.509 3.305 50 0 DGAAMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000078648330 431691065 /nfs/dbraw/zinc/69/10/65/431691065.db2.gz BOCKDSDSLQYMCL-NRFANRHFSA-N 2 1 324.468 3.283 50 0 DGAAMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000096489058 431953776 /nfs/dbraw/zinc/95/37/76/431953776.db2.gz SWYGZWAMYYFLNK-GFCCVEGCSA-N 2 1 311.267 3.236 50 0 DGAAMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)[nH+]1 ZINC000097200860 431964138 /nfs/dbraw/zinc/96/41/38/431964138.db2.gz ZDNMQMXEOXFFHU-OAHLLOKOSA-N 2 1 322.412 3.465 50 0 DGAAMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000241326130 432815839 /nfs/dbraw/zinc/81/58/39/432815839.db2.gz LZMBKABBWSXSDN-RRQGHBQHSA-N 2 1 308.491 3.167 50 0 DGAAMP c1nc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000670435797 547753599 /nfs/dbraw/zinc/75/35/99/547753599.db2.gz YJKXBNAYZXTORN-HNNXBMFYSA-N 2 1 311.433 3.174 50 0 DGAAMP c1nc([C@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000670435797 547753601 /nfs/dbraw/zinc/75/36/01/547753601.db2.gz YJKXBNAYZXTORN-HNNXBMFYSA-N 2 1 311.433 3.174 50 0 DGAAMP COc1cccc(C[N@@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001704356012 1202522938 /nfs/dbraw/zinc/52/29/38/1202522938.db2.gz VQLISVZXSVLGFA-USTZCAOPSA-N 2 1 302.462 3.246 50 0 DGAAMP CCn1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000083843573 192384766 /nfs/dbraw/zinc/38/47/66/192384766.db2.gz UALRWTJEZFIUCU-AWEZNQCLSA-N 2 1 309.417 3.248 50 0 DGAAMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000163831873 432043596 /nfs/dbraw/zinc/04/35/96/432043596.db2.gz NFQDMUWPNNUQSK-KRWDZBQOSA-N 2 1 310.441 3.370 50 0 DGAAMP CCCCNc1[nH+]cnc2c1c(C)c(C)n2CCC[NH+](C)C ZINC000005346487 181232133 /nfs/dbraw/zinc/23/21/33/181232133.db2.gz NUBAUFIBDPNZNB-UHFFFAOYSA-N 2 1 303.454 3.212 50 0 DGAAMP CC(C)c1nccn1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000170617591 432073995 /nfs/dbraw/zinc/07/39/95/432073995.db2.gz USFRQGLGXFNHEO-SFHVURJKSA-N 2 1 313.445 3.298 50 0 DGAAMP Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)c1C ZINC000089686433 192842817 /nfs/dbraw/zinc/84/28/17/192842817.db2.gz XHBPSNBHKIVYID-UHFFFAOYSA-N 2 1 323.484 3.495 50 0 DGAAMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000065502669 184356072 /nfs/dbraw/zinc/35/60/72/184356072.db2.gz KPCDFPTYNPIYCO-QGZVFWFLSA-N 2 1 304.503 3.384 50 0 DGAAMP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCCC3)cc2)n[nH]1 ZINC000066906018 400129691 /nfs/dbraw/zinc/12/96/91/400129691.db2.gz LBKUTRHLYHNNCA-UHFFFAOYSA-N 2 1 312.461 3.466 50 0 DGAAMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628636 431206763 /nfs/dbraw/zinc/20/67/63/431206763.db2.gz JGRGHBXFVSCRNO-CQSZACIVSA-N 2 1 310.869 3.037 50 0 DGAAMP CCCCCC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000001666577 431237285 /nfs/dbraw/zinc/23/72/85/431237285.db2.gz PTYUSCVACAGDKF-CYBMUJFWSA-N 2 1 307.829 3.086 50 0 DGAAMP Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2C)n1 ZINC000071278734 431275789 /nfs/dbraw/zinc/27/57/89/431275789.db2.gz CJFZOYQJEHTXNN-HNNXBMFYSA-N 2 1 323.444 3.172 50 0 DGAAMP C[NH+](C)Cc1csc(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000077539603 431604510 /nfs/dbraw/zinc/60/45/10/431604510.db2.gz XAODGMVGPHRGLF-UHFFFAOYSA-N 2 1 321.534 3.260 50 0 DGAAMP C[C@@H](C1CC[NH+](Cc2c[nH]c(CC3CCCC3)n2)CC1)[NH+](C)C ZINC000077407508 431591848 /nfs/dbraw/zinc/59/18/48/431591848.db2.gz DNVUZUFLTLBODW-HNNXBMFYSA-N 2 1 318.509 3.305 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000090775392 431894375 /nfs/dbraw/zinc/89/43/75/431894375.db2.gz BVJNWHFPUQUQPY-UILHHMQZSA-N 3 1 321.553 3.348 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)CC1 ZINC000090775392 431894378 /nfs/dbraw/zinc/89/43/78/431894378.db2.gz BVJNWHFPUQUQPY-UILHHMQZSA-N 2 1 321.553 3.348 50 0 DGAAMP Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(F)cc2F)cn1 ZINC000048782269 431932322 /nfs/dbraw/zinc/93/23/22/431932322.db2.gz UKJKHMIHLOSAOT-UHFFFAOYSA-N 2 1 314.339 3.144 50 0 DGAAMP Cc1ccccc1N1CCC[N@@H+](Cc2cccc(CC[NH3+])c2)CC1 ZINC000072162580 281346827 /nfs/dbraw/zinc/34/68/27/281346827.db2.gz WYFFYSQNXVHNFH-UHFFFAOYSA-N 2 1 323.484 3.209 50 0 DGAAMP COc1ccccc1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000243901742 432819681 /nfs/dbraw/zinc/81/96/81/432819681.db2.gz BDNKMLQGYZKNCO-UHFFFAOYSA-N 2 1 313.445 3.470 50 0 DGAAMP CC(C)n1cc[nH+]c1C1CCN(C[C@H](C)[NH+]2CCCC2)CC1 ZINC000244787515 432823473 /nfs/dbraw/zinc/82/34/73/432823473.db2.gz PYLMJTMMLWIIDM-INIZCTEOSA-N 2 1 304.482 3.128 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000245287294 432825374 /nfs/dbraw/zinc/82/53/74/432825374.db2.gz BVJNWHFPUQUQPY-QWRMLLQVSA-N 3 1 321.553 3.348 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)CC1 ZINC000245287294 432825377 /nfs/dbraw/zinc/82/53/77/432825377.db2.gz BVJNWHFPUQUQPY-QWRMLLQVSA-N 2 1 321.553 3.348 50 0 DGAAMP CCN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000022919135 655773197 /nfs/dbraw/zinc/77/31/97/655773197.db2.gz VFJPLLHJTYCBAK-LJQANCHMSA-N 2 1 321.553 3.449 50 0 DGAAMP CC(C)=CCC/C(C)=C/C[N@@H+]1CCC[C@@](CO)(CN(C)C)C1 ZINC000952867292 1096787352 /nfs/dbraw/zinc/78/73/52/1096787352.db2.gz MCHDVBKXOLDPKI-SZVPOVDMSA-N 2 1 308.510 3.315 50 0 DGAAMP Cc1ccc2ccccc2c1C[N@@H+]1CCOC[C@@H](C[NH+](C)C)C1 ZINC000072138756 191048100 /nfs/dbraw/zinc/04/81/00/191048100.db2.gz KBZMGSFRWJZTEY-KRWDZBQOSA-N 2 1 312.457 3.158 50 0 DGAAMP c1c(C[N@H+]2CCC[C@H](c3ccccc3)CC2)nn2c1C[NH2+]CCC2 ZINC000072152344 191057391 /nfs/dbraw/zinc/05/73/91/191057391.db2.gz VYDSFVRLDBPWPJ-SFHVURJKSA-N 2 1 324.472 3.146 50 0 DGAAMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000072171113 191069628 /nfs/dbraw/zinc/06/96/28/191069628.db2.gz PWAYCEPLFBVWKZ-QGZVFWFLSA-N 2 1 302.462 3.316 50 0 DGAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000072171113 191069630 /nfs/dbraw/zinc/06/96/30/191069630.db2.gz PWAYCEPLFBVWKZ-QGZVFWFLSA-N 2 1 302.462 3.316 50 0 DGAAMP CCCCCC[C@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000004365424 400085185 /nfs/dbraw/zinc/08/51/85/400085185.db2.gz PTYUSCVACAGDKF-ZDUSSCGKSA-N 2 1 307.829 3.086 50 0 DGAAMP CCCc1[nH+]c2c(c(C)c(C)n2CC[NH+](C)C)c(N)c1CC ZINC000012388958 431505492 /nfs/dbraw/zinc/50/54/92/431505492.db2.gz FSNACYGQWAQVSR-UHFFFAOYSA-N 2 1 302.466 3.312 50 0 DGAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC000012473426 431511157 /nfs/dbraw/zinc/51/11/57/431511157.db2.gz URHSYCWSFSCMLF-LJQANCHMSA-N 2 1 308.510 3.391 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC000012473426 431511166 /nfs/dbraw/zinc/51/11/66/431511166.db2.gz URHSYCWSFSCMLF-LJQANCHMSA-N 2 1 308.510 3.391 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000012473426 431511171 /nfs/dbraw/zinc/51/11/71/431511171.db2.gz URHSYCWSFSCMLF-LJQANCHMSA-N 2 1 308.510 3.391 50 0 DGAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC000097200721 431963847 /nfs/dbraw/zinc/96/38/47/431963847.db2.gz ACYJCARPWCNBNF-HNNXBMFYSA-N 2 1 322.412 3.465 50 0 DGAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)[nH+]1 ZINC000097200859 431964297 /nfs/dbraw/zinc/96/42/97/431964297.db2.gz ZDNMQMXEOXFFHU-HNNXBMFYSA-N 2 1 322.412 3.465 50 0 DGAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC000097200722 431964590 /nfs/dbraw/zinc/96/45/90/431964590.db2.gz ACYJCARPWCNBNF-OAHLLOKOSA-N 2 1 322.412 3.465 50 0 DGAAMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)CCO1 ZINC000097499480 431970414 /nfs/dbraw/zinc/97/04/14/431970414.db2.gz OBMIQKMNCLHHGS-OAHLLOKOSA-N 2 1 310.397 3.136 50 0 DGAAMP Cc1cc(C)c(C[N@H+]2CCC[C@H]2C)cc1CN1CCN(C)CC1 ZINC000252483499 432378920 /nfs/dbraw/zinc/37/89/20/432378920.db2.gz FCRPNJUQJAKCIH-GOSISDBHSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]2C)cc1CN1CCN(C)CC1 ZINC000252483499 432378923 /nfs/dbraw/zinc/37/89/23/432378923.db2.gz FCRPNJUQJAKCIH-GOSISDBHSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@H+]1CCC[C@H]1C ZINC000252483499 432378927 /nfs/dbraw/zinc/37/89/27/432378927.db2.gz FCRPNJUQJAKCIH-GOSISDBHSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@@H+]1CCC[C@H]1C ZINC000252483499 432378929 /nfs/dbraw/zinc/37/89/29/432378929.db2.gz FCRPNJUQJAKCIH-GOSISDBHSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1nnc([C@H](C)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000097081923 545864540 /nfs/dbraw/zinc/86/45/40/545864540.db2.gz RBYQKXBFUZPKOS-NEPJUHHUSA-N 2 1 311.389 3.284 50 0 DGAAMP CC[NH+]1CCC(N2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078516 655599195 /nfs/dbraw/zinc/59/91/95/655599195.db2.gz QQVGELLQLZETJZ-UXHICEINSA-N 2 1 319.537 3.200 50 0 DGAAMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000022891353 655760198 /nfs/dbraw/zinc/76/01/98/655760198.db2.gz BQHZNTMZUKZPHB-LJQANCHMSA-N 2 1 321.468 3.355 50 0 DGAAMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000022891353 655760200 /nfs/dbraw/zinc/76/02/00/655760200.db2.gz BQHZNTMZUKZPHB-LJQANCHMSA-N 2 1 321.468 3.355 50 0 DGAAMP CC[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCN1C(C)C ZINC000952970850 662209528 /nfs/dbraw/zinc/20/95/28/662209528.db2.gz FUAAKWNNKQNBHP-KRWDZBQOSA-N 2 1 307.526 3.103 50 0 DGAAMP [NH3+]CCc1ccc(CNCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000952979628 662209968 /nfs/dbraw/zinc/20/99/68/662209968.db2.gz UQGYOENEPPYNOR-UHFFFAOYSA-N 2 1 315.505 3.076 50 0 DGAAMP CCc1[nH+]ccn1C[C@@H](C)N1CC(Oc2ccccc2CC)C1 ZINC001506403138 1186221635 /nfs/dbraw/zinc/22/16/35/1186221635.db2.gz RSXXYLHUAHLYEG-OAHLLOKOSA-N 2 1 313.445 3.160 50 0 DGAAMP C[N@@H+](CC[C@@H]1CCOC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001506421700 1186226281 /nfs/dbraw/zinc/22/62/81/1186226281.db2.gz KVUHBMWMVQVPBG-HXUWFJFHSA-N 2 1 316.489 3.257 50 0 DGAAMP C[N@@H+](CC[C@H]1CCOC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001506421698 1186226802 /nfs/dbraw/zinc/22/68/02/1186226802.db2.gz KVUHBMWMVQVPBG-FQEVSTJZSA-N 2 1 316.489 3.257 50 0 DGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCOc1cccc2cccnc21 ZINC000823557356 1091695033 /nfs/dbraw/zinc/69/50/33/1091695033.db2.gz NDBOTZKVGMCUMA-HNNXBMFYSA-N 2 1 324.428 3.051 50 0 DGAAMP COCC[N@H+]1CCC[C@H](C[NH2+]CC2=C(C)CCCC2(C)C)C1 ZINC000952868094 1096781900 /nfs/dbraw/zinc/78/19/00/1096781900.db2.gz YGCKITVTFVUQBA-QGZVFWFLSA-N 2 1 308.510 3.461 50 0 DGAAMP CCC[NH+]1CCC([NH2+]C[C@@H](c2sccc2C)N(C)C)CC1 ZINC000065407489 432011752 /nfs/dbraw/zinc/01/17/52/432011752.db2.gz VPZKISDHKXLLFE-INIZCTEOSA-N 2 1 309.523 3.123 50 0 DGAAMP CCCOc1ccc(C[NH2+]CCC[NH+](CC)CC)cc1OC ZINC000002933145 180971024 /nfs/dbraw/zinc/97/10/24/180971024.db2.gz LXJPGCRDZGDBQS-UHFFFAOYSA-N 2 1 308.466 3.306 50 0 DGAAMP COc1ccc(/C=C/C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000067908589 432045392 /nfs/dbraw/zinc/04/53/92/432045392.db2.gz DQUIASMJFKPDSY-JUGMSXHOSA-N 2 1 300.446 3.126 50 0 DGAAMP COc1ccc(/C=C/C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000067908589 432045395 /nfs/dbraw/zinc/04/53/95/432045395.db2.gz DQUIASMJFKPDSY-JUGMSXHOSA-N 2 1 300.446 3.126 50 0 DGAAMP COc1ccc(/C=C/C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000067908589 432045397 /nfs/dbraw/zinc/04/53/97/432045397.db2.gz DQUIASMJFKPDSY-JUGMSXHOSA-N 2 1 300.446 3.126 50 0 DGAAMP COc1ccc(/C=C/C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000067908589 432045399 /nfs/dbraw/zinc/04/53/99/432045399.db2.gz DQUIASMJFKPDSY-JUGMSXHOSA-N 2 1 300.446 3.126 50 0 DGAAMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC000004989517 400086273 /nfs/dbraw/zinc/08/62/73/400086273.db2.gz FQMOMXJPUYBVAU-UHFFFAOYSA-N 2 1 320.477 3.053 50 0 DGAAMP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3nccs3)CC2)o1 ZINC000015080792 431599738 /nfs/dbraw/zinc/59/97/38/431599738.db2.gz CDNHDCZNGOVDGY-UHFFFAOYSA-N 2 1 319.474 3.389 50 0 DGAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3nccs3)CC2)o1 ZINC000015080792 431599747 /nfs/dbraw/zinc/59/97/47/431599747.db2.gz CDNHDCZNGOVDGY-UHFFFAOYSA-N 2 1 319.474 3.389 50 0 DGAAMP Cc1csc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n1 ZINC000244678611 432821652 /nfs/dbraw/zinc/82/16/52/432821652.db2.gz IGTNVLISBNOBDH-HNNXBMFYSA-N 2 1 304.463 3.401 50 0 DGAAMP Cc1csc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n1 ZINC000244678611 432821654 /nfs/dbraw/zinc/82/16/54/432821654.db2.gz IGTNVLISBNOBDH-HNNXBMFYSA-N 2 1 304.463 3.401 50 0 DGAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000670446612 547755568 /nfs/dbraw/zinc/75/55/68/547755568.db2.gz ULLLOKWYUAISJA-GOSISDBHSA-N 2 1 302.462 3.009 50 0 DGAAMP Cc1nc2ccccc2n1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000863983397 621724246 /nfs/dbraw/zinc/72/42/46/621724246.db2.gz GXYVNIFXNCYTFK-ZNXRZULTSA-N 2 1 324.472 3.092 50 0 DGAAMP Cc1c2ccccc2oc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1CO ZINC000952967990 662208940 /nfs/dbraw/zinc/20/89/40/662208940.db2.gz IURFHKSLLGIVDB-INIZCTEOSA-N 2 1 316.445 3.068 50 0 DGAAMP Cc1c2ccccc2oc1C[NH2+]CCC[N@H+]1CCCC[C@H]1CO ZINC000952967990 662208941 /nfs/dbraw/zinc/20/89/41/662208941.db2.gz IURFHKSLLGIVDB-INIZCTEOSA-N 2 1 316.445 3.068 50 0 DGAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000952978694 662209836 /nfs/dbraw/zinc/20/98/36/662209836.db2.gz ZEQBUYGKFYHIOE-UHFFFAOYSA-N 2 1 324.428 3.440 50 0 DGAAMP c1ccc(C[N@@H+]2CCCC[C@@H]2CCNCc2cncnc2)cc1 ZINC000952983397 662210256 /nfs/dbraw/zinc/21/02/56/662210256.db2.gz LMNDOLTVCREPKX-LJQANCHMSA-N 2 1 310.445 3.011 50 0 DGAAMP CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[N@@H+](C)CC ZINC000822554855 1091665396 /nfs/dbraw/zinc/66/53/96/1091665396.db2.gz TWWDBPBJXZRCLV-QGZVFWFLSA-N 2 1 323.525 3.022 50 0 DGAAMP C[C@H]([NH2+]C[C@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000952876929 1096783808 /nfs/dbraw/zinc/78/38/08/1096783808.db2.gz IOQVZBQLKWGGRK-GJZGRUSLSA-N 2 1 306.413 3.345 50 0 DGAAMP Cc1ccc(C)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000952882683 1096786543 /nfs/dbraw/zinc/78/65/43/1096786543.db2.gz OFCXGCLDEBBIHP-UHFFFAOYSA-N 2 1 302.462 3.036 50 0 DGAAMP c1ccc(C[NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000096876702 185389886 /nfs/dbraw/zinc/38/98/86/185389886.db2.gz GCMMHEXEZHIVSG-UHFFFAOYSA-N 2 1 306.453 3.408 50 0 DGAAMP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000092078439 193154050 /nfs/dbraw/zinc/15/40/50/193154050.db2.gz NRNFIYWWTPMXAO-SFHVURJKSA-N 2 1 324.472 3.111 50 0 DGAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000092078439 193154052 /nfs/dbraw/zinc/15/40/52/193154052.db2.gz NRNFIYWWTPMXAO-SFHVURJKSA-N 2 1 324.472 3.111 50 0 DGAAMP CC(=O)Nc1ccc(C[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000065529627 184360984 /nfs/dbraw/zinc/36/09/84/184360984.db2.gz MEQOHUISGRFKSH-UHFFFAOYSA-N 2 1 317.477 3.386 50 0 DGAAMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000065502675 184356038 /nfs/dbraw/zinc/35/60/38/184356038.db2.gz KPCDFPTYNPIYCO-KRWDZBQOSA-N 2 1 304.503 3.384 50 0 DGAAMP CC[N@@H+]1CCC[C@H](C[NH+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968511 276374075 /nfs/dbraw/zinc/37/40/75/276374075.db2.gz PWTVCIYPJUHZJG-KRWDZBQOSA-N 2 1 308.441 3.006 50 0 DGAAMP CC[N@H+]1CCC[C@H](C[NH+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968511 276374077 /nfs/dbraw/zinc/37/40/77/276374077.db2.gz PWTVCIYPJUHZJG-KRWDZBQOSA-N 2 1 308.441 3.006 50 0 DGAAMP CC[NH+]1CCC[C@H](C[N@H+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968511 276374078 /nfs/dbraw/zinc/37/40/78/276374078.db2.gz PWTVCIYPJUHZJG-KRWDZBQOSA-N 2 1 308.441 3.006 50 0 DGAAMP CC[NH+]1CCC[C@H](C[N@@H+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968511 276374081 /nfs/dbraw/zinc/37/40/81/276374081.db2.gz PWTVCIYPJUHZJG-KRWDZBQOSA-N 2 1 308.441 3.006 50 0 DGAAMP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000761399 431207453 /nfs/dbraw/zinc/20/74/53/431207453.db2.gz BPSOUKJVBLPLLC-UHFFFAOYSA-N 3 1 315.505 3.115 50 0 DGAAMP C[N@@H+](CCc1ccccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110294 431528065 /nfs/dbraw/zinc/52/80/65/431528065.db2.gz XSJJLPIDGMSCCV-LJQANCHMSA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110294 431528074 /nfs/dbraw/zinc/52/80/74/431528074.db2.gz XSJJLPIDGMSCCV-LJQANCHMSA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110294 431528080 /nfs/dbraw/zinc/52/80/80/431528080.db2.gz XSJJLPIDGMSCCV-LJQANCHMSA-N 2 1 309.457 3.078 50 0 DGAAMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000078552919 431683084 /nfs/dbraw/zinc/68/30/84/431683084.db2.gz CWUGYUVNDRGLLN-UHFFFAOYSA-N 2 1 312.413 3.157 50 0 DGAAMP Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c2ccccc2[nH+]1 ZINC000040047101 431855594 /nfs/dbraw/zinc/85/55/94/431855594.db2.gz RUGKVTWUPUYPJS-UHFFFAOYSA-N 2 1 318.424 3.260 50 0 DGAAMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097492474 431971053 /nfs/dbraw/zinc/97/10/53/431971053.db2.gz ZZHUFWUKYYSCIQ-GOSISDBHSA-N 2 1 301.409 3.191 50 0 DGAAMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097492474 431971056 /nfs/dbraw/zinc/97/10/56/431971056.db2.gz ZZHUFWUKYYSCIQ-GOSISDBHSA-N 2 1 301.409 3.191 50 0 DGAAMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000097604205 431972162 /nfs/dbraw/zinc/97/21/62/431972162.db2.gz PJYZCUYOFKJYDB-LJQANCHMSA-N 2 1 312.413 3.029 50 0 DGAAMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000097604205 431972164 /nfs/dbraw/zinc/97/21/64/431972164.db2.gz PJYZCUYOFKJYDB-LJQANCHMSA-N 2 1 312.413 3.029 50 0 DGAAMP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(OCC)c1C ZINC000097743377 431973851 /nfs/dbraw/zinc/97/38/51/431973851.db2.gz HGYCAZAALWLHOZ-INIZCTEOSA-N 2 1 306.450 3.106 50 0 DGAAMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(OCC)c1C ZINC000097743377 431973853 /nfs/dbraw/zinc/97/38/53/431973853.db2.gz HGYCAZAALWLHOZ-INIZCTEOSA-N 2 1 306.450 3.106 50 0 DGAAMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000096476450 431952987 /nfs/dbraw/zinc/95/29/87/431952987.db2.gz JPQVWJZPRHVWLA-GOSISDBHSA-N 2 1 302.487 3.233 50 0 DGAAMP Cc1ncc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)s1 ZINC000097200809 431964634 /nfs/dbraw/zinc/96/46/34/431964634.db2.gz UNYVGTDKUPXPCX-AWEZNQCLSA-N 2 1 302.447 3.089 50 0 DGAAMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2C)cc1CN1CCN(C)CC1 ZINC000252483500 432378035 /nfs/dbraw/zinc/37/80/35/432378035.db2.gz FCRPNJUQJAKCIH-SFHVURJKSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2C)cc1CN1CCN(C)CC1 ZINC000252483500 432378040 /nfs/dbraw/zinc/37/80/40/432378040.db2.gz FCRPNJUQJAKCIH-SFHVURJKSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@H+]1CCC[C@@H]1C ZINC000252483500 432378044 /nfs/dbraw/zinc/37/80/44/432378044.db2.gz FCRPNJUQJAKCIH-SFHVURJKSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@@H+]1CCC[C@@H]1C ZINC000252483500 432378049 /nfs/dbraw/zinc/37/80/49/432378049.db2.gz FCRPNJUQJAKCIH-SFHVURJKSA-N 2 1 315.505 3.035 50 0 DGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1c(C)cc(C)cc1-n1cccn1 ZINC000215265761 432643711 /nfs/dbraw/zinc/64/37/11/432643711.db2.gz UPCIPBIBXYOXIQ-UHFFFAOYSA-N 2 1 323.444 3.126 50 0 DGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1c(C)cc(C)cc1-n1cccn1 ZINC000215265761 432643717 /nfs/dbraw/zinc/64/37/17/432643717.db2.gz UPCIPBIBXYOXIQ-UHFFFAOYSA-N 2 1 323.444 3.126 50 0 DGAAMP CC[NH+]1CCC(N2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000823107071 1091682744 /nfs/dbraw/zinc/68/27/44/1091682744.db2.gz QQVGELLQLZETJZ-WOJBJXKFSA-N 2 1 319.537 3.200 50 0 DGAAMP C[N@H+]1CCCC[C@@H]1CC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000828075224 1091804976 /nfs/dbraw/zinc/80/49/76/1091804976.db2.gz YVRILKIEKASAMZ-QGZVFWFLSA-N 2 1 315.461 3.095 50 0 DGAAMP COCC[N@H+]1CCC[C@@H](C[NH2+]CC2=C(C)CCCC2(C)C)C1 ZINC000952868093 1096782030 /nfs/dbraw/zinc/78/20/30/1096782030.db2.gz YGCKITVTFVUQBA-KRWDZBQOSA-N 2 1 308.510 3.461 50 0 DGAAMP C[C@@H]([NH2+]C[C@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000952876928 1096784529 /nfs/dbraw/zinc/78/45/29/1096784529.db2.gz IOQVZBQLKWGGRK-CABCVRRESA-N 2 1 306.413 3.345 50 0 DGAAMP CCn1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000083843574 192384920 /nfs/dbraw/zinc/38/49/20/192384920.db2.gz UALRWTJEZFIUCU-CQSZACIVSA-N 2 1 309.417 3.248 50 0 DGAAMP Cc1ccc2ccccc2c1C[N@@H+]1CCOC[C@H](C[NH+](C)C)C1 ZINC000072138755 191048263 /nfs/dbraw/zinc/04/82/63/191048263.db2.gz KBZMGSFRWJZTEY-QGZVFWFLSA-N 2 1 312.457 3.158 50 0 DGAAMP Cc1c(C)n(CC(C)C)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000006764331 181385598 /nfs/dbraw/zinc/38/55/98/181385598.db2.gz QPEAKKGTLISLAC-UHFFFAOYSA-N 2 1 303.454 3.068 50 0 DGAAMP C(=C/c1ccccc1)\C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000096403166 193620031 /nfs/dbraw/zinc/62/00/31/193620031.db2.gz IYFSZQRTJSBNPJ-QPJJXVBHSA-N 2 1 321.468 3.392 50 0 DGAAMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)Oc1cccc(Cl)c1 ZINC000020166341 182193947 /nfs/dbraw/zinc/19/39/47/182193947.db2.gz CAGLFXSIGWXOJO-AWEZNQCLSA-N 2 1 310.869 3.381 50 0 DGAAMP c1cc(CC[NH+]2CCC([NH2+]CC3CCCCC3)CC2)ccn1 ZINC000129617036 196062251 /nfs/dbraw/zinc/06/22/51/196062251.db2.gz NIERVNQPMLIYJE-UHFFFAOYSA-N 2 1 301.478 3.258 50 0 DGAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090657718 288106423 /nfs/dbraw/zinc/10/64/23/288106423.db2.gz MSOPXUOKPTWALB-ZAWLATJESA-N 2 1 318.505 3.107 50 0 DGAAMP CCc1[nH+]ccn1CCC[NH2+]CC[C@@H](C)CCCC(C)(C)O ZINC000032537327 431781518 /nfs/dbraw/zinc/78/15/18/431781518.db2.gz QORSAQWPOBECGU-INIZCTEOSA-N 2 1 309.498 3.393 50 0 DGAAMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000089735721 431877020 /nfs/dbraw/zinc/87/70/20/431877020.db2.gz KUHVXYMXSKLAOK-OAHLLOKOSA-N 2 1 310.401 3.212 50 0 DGAAMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000089735721 431877022 /nfs/dbraw/zinc/87/70/22/431877022.db2.gz KUHVXYMXSKLAOK-OAHLLOKOSA-N 2 1 310.401 3.212 50 0 DGAAMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000089735718 431877363 /nfs/dbraw/zinc/87/73/63/431877363.db2.gz KUHVXYMXSKLAOK-HNNXBMFYSA-N 2 1 310.401 3.212 50 0 DGAAMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000089735718 431877364 /nfs/dbraw/zinc/87/73/64/431877364.db2.gz KUHVXYMXSKLAOK-HNNXBMFYSA-N 2 1 310.401 3.212 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000095980659 431931206 /nfs/dbraw/zinc/93/12/06/431931206.db2.gz LUPJVCDTCUGHGJ-KBXCAEBGSA-N 2 1 310.445 3.277 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000095980659 431931208 /nfs/dbraw/zinc/93/12/08/431931208.db2.gz LUPJVCDTCUGHGJ-KBXCAEBGSA-N 2 1 310.445 3.277 50 0 DGAAMP Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000096403996 431945249 /nfs/dbraw/zinc/94/52/49/431945249.db2.gz UCKJKCLYGRTODY-IBGZPJMESA-N 2 1 310.441 3.046 50 0 DGAAMP Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000096403996 431945251 /nfs/dbraw/zinc/94/52/51/431945251.db2.gz UCKJKCLYGRTODY-IBGZPJMESA-N 2 1 310.441 3.046 50 0 DGAAMP Cc1nccn1CC[NH+]1CCC(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000252483450 432378898 /nfs/dbraw/zinc/37/88/98/432378898.db2.gz FBUYPGGAKNCRKB-UHFFFAOYSA-N 2 1 323.444 3.256 50 0 DGAAMP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1F ZINC000192958607 432434029 /nfs/dbraw/zinc/43/40/29/432434029.db2.gz SYUSIDIPALXBEF-OAHLLOKOSA-N 2 1 303.381 3.004 50 0 DGAAMP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1F ZINC000192958607 432434032 /nfs/dbraw/zinc/43/40/32/432434032.db2.gz SYUSIDIPALXBEF-OAHLLOKOSA-N 2 1 303.381 3.004 50 0 DGAAMP OC1CCN(CCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000195555464 432628745 /nfs/dbraw/zinc/62/87/45/432628745.db2.gz WDZTWJPRIXBQRC-UHFFFAOYSA-N 2 1 322.452 3.193 50 0 DGAAMP COCC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C[NH+](C)C)c2)C1 ZINC000216425332 432650287 /nfs/dbraw/zinc/65/02/87/432650287.db2.gz QNKCQPGOQBXTRW-MRXNPFEDSA-N 2 1 320.477 3.005 50 0 DGAAMP C[C@@H](c1cccc(C[N@@H+](C)Cc2ccc3nonc3c2)c1)[NH+](C)C ZINC000216390579 432650555 /nfs/dbraw/zinc/65/05/55/432650555.db2.gz AAYXVXJGFZYDKD-AWEZNQCLSA-N 2 1 324.428 3.477 50 0 DGAAMP CC(C)OCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245289736 432825383 /nfs/dbraw/zinc/82/53/83/432825383.db2.gz DTCALUWAVCLCQH-OALUTQOASA-N 2 1 302.462 3.328 50 0 DGAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000426526739 433523371 /nfs/dbraw/zinc/52/33/71/433523371.db2.gz BAOUHULTWXOQCC-LJQANCHMSA-N 2 1 310.441 3.089 50 0 DGAAMP C[C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)[NH+](C)C ZINC000785560270 624687196 /nfs/dbraw/zinc/68/71/96/624687196.db2.gz QKGOUNMQFPIEAG-AWEZNQCLSA-N 2 1 314.433 3.345 50 0 DGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nc2ccccc2s1 ZINC001506414280 1186224481 /nfs/dbraw/zinc/22/44/81/1186224481.db2.gz QGHZEKXPCKKQOM-ZDUSSCGKSA-N 2 1 314.458 3.276 50 0 DGAAMP CC[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000952882098 1096785817 /nfs/dbraw/zinc/78/58/17/1096785817.db2.gz PHMLNUGMSUHUEH-HKUYNNGSSA-N 2 1 302.462 3.056 50 0 DGAAMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccn1 ZINC000092821581 185343847 /nfs/dbraw/zinc/34/38/47/185343847.db2.gz QLIFWUCXTZKBQQ-UHFFFAOYSA-N 2 1 310.445 3.215 50 0 DGAAMP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cc(C(C)C)no2)CC1 ZINC000071746782 191018884 /nfs/dbraw/zinc/01/88/84/191018884.db2.gz COQICUPDZRZCQG-UHFFFAOYSA-N 2 1 314.433 3.214 50 0 DGAAMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163762856 432041680 /nfs/dbraw/zinc/04/16/80/432041680.db2.gz SUHQRSSOUZSJLN-NSHDSACASA-N 2 1 304.331 3.405 50 0 DGAAMP c1c[nH]c(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000169752316 400759757 /nfs/dbraw/zinc/75/97/57/400759757.db2.gz LNZGSYBLMWZGKY-LJQANCHMSA-N 2 1 324.472 3.144 50 0 DGAAMP COc1cccc(CC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000195560894 400925044 /nfs/dbraw/zinc/92/50/44/400925044.db2.gz BCMRSZNJUBOWCT-UHFFFAOYSA-N 2 1 302.462 3.044 50 0 DGAAMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628583 431205739 /nfs/dbraw/zinc/20/57/39/431205739.db2.gz PSKRLXRDQVFGEU-AWEZNQCLSA-N 2 1 310.869 3.037 50 0 DGAAMP Cc1nccn1-c1ccc(CNCc2ccc(F)c(F)c2)cn1 ZINC000048782312 431931973 /nfs/dbraw/zinc/93/19/73/431931973.db2.gz DENNKJINCWNHGE-UHFFFAOYSA-N 2 1 314.339 3.144 50 0 DGAAMP Nc1cc[nH+]c2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc12 ZINC000096164431 431940795 /nfs/dbraw/zinc/94/07/95/431940795.db2.gz XQGVKKWIVUJOMQ-UHFFFAOYSA-N 2 1 319.408 3.316 50 0 DGAAMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C2CCCCC2)n1 ZINC000097086497 431959925 /nfs/dbraw/zinc/95/99/25/431959925.db2.gz GIWHBRZMQNUZRH-OAHLLOKOSA-N 2 1 316.493 3.042 50 0 DGAAMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C2CCCCC2)n1 ZINC000097086497 431959927 /nfs/dbraw/zinc/95/99/27/431959927.db2.gz GIWHBRZMQNUZRH-OAHLLOKOSA-N 2 1 316.493 3.042 50 0 DGAAMP C[N@H+](CC1(C)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000097113457 431961601 /nfs/dbraw/zinc/96/16/01/431961601.db2.gz FMTCUGIYCCLTHT-UHFFFAOYSA-N 2 1 316.489 3.400 50 0 DGAAMP C[N@@H+](CC1(C)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000097113457 431961604 /nfs/dbraw/zinc/96/16/04/431961604.db2.gz FMTCUGIYCCLTHT-UHFFFAOYSA-N 2 1 316.489 3.400 50 0 DGAAMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)CCO1 ZINC000153464475 432411676 /nfs/dbraw/zinc/41/16/76/432411676.db2.gz MDJFMCXOBMNFLJ-OAHLLOKOSA-N 2 1 314.473 3.186 50 0 DGAAMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)CCO1 ZINC000153464475 432411681 /nfs/dbraw/zinc/41/16/81/432411681.db2.gz MDJFMCXOBMNFLJ-OAHLLOKOSA-N 2 1 314.473 3.186 50 0 DGAAMP c1sc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1C[NH+]1CCCC1 ZINC000215960923 432647622 /nfs/dbraw/zinc/64/76/22/432647622.db2.gz ISUQJIPUHISPCH-QZTJIDSGSA-N 2 1 320.502 3.487 50 0 DGAAMP c1sc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1C[NH+]1CCCC1 ZINC000215960923 432647625 /nfs/dbraw/zinc/64/76/25/432647625.db2.gz ISUQJIPUHISPCH-QZTJIDSGSA-N 2 1 320.502 3.487 50 0 DGAAMP Cc1n[nH]c(C)c1CC[N@H+](C)Cc1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000215399444 432643854 /nfs/dbraw/zinc/64/38/54/432643854.db2.gz VGLFQGKYPJKYHP-MRXNPFEDSA-N 2 1 314.477 3.324 50 0 DGAAMP COCC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C ZINC000243885851 432819703 /nfs/dbraw/zinc/81/97/03/432819703.db2.gz ACVWLFVUSMMSGP-IBGZPJMESA-N 2 1 304.478 3.318 50 0 DGAAMP COCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C ZINC000243885851 432819704 /nfs/dbraw/zinc/81/97/04/432819704.db2.gz ACVWLFVUSMMSGP-IBGZPJMESA-N 2 1 304.478 3.318 50 0 DGAAMP COCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C ZINC000243885851 432819705 /nfs/dbraw/zinc/81/97/05/432819705.db2.gz ACVWLFVUSMMSGP-IBGZPJMESA-N 2 1 304.478 3.318 50 0 DGAAMP COCC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C ZINC000243885851 432819706 /nfs/dbraw/zinc/81/97/06/432819706.db2.gz ACVWLFVUSMMSGP-IBGZPJMESA-N 2 1 304.478 3.318 50 0 DGAAMP CC(C)OCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245289735 432825331 /nfs/dbraw/zinc/82/53/31/432825331.db2.gz DTCALUWAVCLCQH-MOPGFXCFSA-N 2 1 302.462 3.328 50 0 DGAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nc2ccccc2s1 ZINC000534652453 334312598 /nfs/dbraw/zinc/31/25/98/334312598.db2.gz TUUFVAPUDZVGOL-GFCCVEGCSA-N 2 1 300.431 3.022 50 0 DGAAMP CC[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2CC(C)C)CC1 ZINC000257179852 656098843 /nfs/dbraw/zinc/09/88/43/656098843.db2.gz CZKRQYOPPJWIIX-QGZVFWFLSA-N 2 1 304.482 3.018 50 0 DGAAMP CC[NH+]1CCC([C@@H]2c3nccn3CCC[N@@H+]2CC(C)C)CC1 ZINC000257179852 656098845 /nfs/dbraw/zinc/09/88/45/656098845.db2.gz CZKRQYOPPJWIIX-QGZVFWFLSA-N 2 1 304.482 3.018 50 0 DGAAMP Cc1cn2c(C[NH2+]C[C@H](C)C[NH+]3CCCCC3)c(C)nc2s1 ZINC000077290552 662020275 /nfs/dbraw/zinc/02/02/75/662020275.db2.gz JKYARBKEWLMCDF-ZDUSSCGKSA-N 2 1 320.506 3.224 50 0 DGAAMP Cc1cn2c(C[NH2+]C[C@@H](C)C[NH+]3CCCCC3)c(C)nc2s1 ZINC000077290551 662020281 /nfs/dbraw/zinc/02/02/81/662020281.db2.gz JKYARBKEWLMCDF-CYBMUJFWSA-N 2 1 320.506 3.224 50 0 DGAAMP C[N@@H+](Cc1ccc(CC[NH3+])cc1)Cc1ccc2ncccc2c1 ZINC001506405816 1186223484 /nfs/dbraw/zinc/22/34/84/1186223484.db2.gz LQSQPMUBFDDHMN-UHFFFAOYSA-N 2 1 305.425 3.368 50 0 DGAAMP C[C@@H](CCn1cccn1)[NH2+]C1(C[NH+]2CCCC2)CCCCC1 ZINC000821826867 1091650695 /nfs/dbraw/zinc/65/06/95/1091650695.db2.gz YWCDUBQAPDRDHA-KRWDZBQOSA-N 2 1 304.482 3.050 50 0 DGAAMP Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000581806955 1092281183 /nfs/dbraw/zinc/28/11/83/1092281183.db2.gz FIZSXXJPZSMHSK-MRXNPFEDSA-N 2 1 310.445 3.376 50 0 DGAAMP Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000581806955 1092281198 /nfs/dbraw/zinc/28/11/98/1092281198.db2.gz FIZSXXJPZSMHSK-MRXNPFEDSA-N 2 1 310.445 3.376 50 0 DGAAMP C([C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCC2(CCOCC2)CC1 ZINC000072447379 191168816 /nfs/dbraw/zinc/16/88/16/191168816.db2.gz MZLPPYMWYMXWOY-ZWKOTPCHSA-N 2 1 306.494 3.144 50 0 DGAAMP Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000072479495 191179011 /nfs/dbraw/zinc/17/90/11/191179011.db2.gz PNWAHIGZUMRKHG-LJQANCHMSA-N 2 1 312.461 3.209 50 0 DGAAMP CC(C)c1nccn1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000170617592 432074101 /nfs/dbraw/zinc/07/41/01/432074101.db2.gz USFRQGLGXFNHEO-GOSISDBHSA-N 2 1 313.445 3.298 50 0 DGAAMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cncn2C)cc1 ZINC000237350452 202241518 /nfs/dbraw/zinc/24/15/18/202241518.db2.gz BPCQHYSUOUFJAZ-MRXNPFEDSA-N 2 1 312.461 3.084 50 0 DGAAMP CC1(C)C[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)CC[C@]1(C)O ZINC000091625501 193081927 /nfs/dbraw/zinc/08/19/27/193081927.db2.gz WMFGCMAYTWPZTC-SFHVURJKSA-N 2 1 322.518 3.327 50 0 DGAAMP CC(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000042207486 183243001 /nfs/dbraw/zinc/24/30/01/183243001.db2.gz BTHJPDSPMPFHLF-UHFFFAOYSA-N 2 1 312.461 3.287 50 0 DGAAMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628633 431207054 /nfs/dbraw/zinc/20/70/54/431207054.db2.gz JGRGHBXFVSCRNO-AWEZNQCLSA-N 2 1 310.869 3.037 50 0 DGAAMP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000111412591 431220627 /nfs/dbraw/zinc/22/06/27/431220627.db2.gz PTCYRBLSPUYWAB-UHFFFAOYSA-N 2 1 317.433 3.195 50 0 DGAAMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069952071 431232388 /nfs/dbraw/zinc/23/23/88/431232388.db2.gz SAXDQNJHJFAMAY-AWEZNQCLSA-N 2 1 310.869 3.037 50 0 DGAAMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000008731135 431407574 /nfs/dbraw/zinc/40/75/74/431407574.db2.gz WXWMMFLCDASCOG-UHFFFAOYSA-N 2 1 324.424 3.170 50 0 DGAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)C3CCC3)CC2)cc1 ZINC000012585539 431520745 /nfs/dbraw/zinc/52/07/45/431520745.db2.gz JZZVLIKLLMNTQC-UHFFFAOYSA-N 2 1 316.489 3.434 50 0 DGAAMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000095423166 431924922 /nfs/dbraw/zinc/92/49/22/431924922.db2.gz NSWKLQACMZSEDR-ZDUSSCGKSA-N 2 1 301.390 3.051 50 0 DGAAMP CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055212139 431978158 /nfs/dbraw/zinc/97/81/58/431978158.db2.gz XPADMYINMLEZFQ-RBUKOAKNSA-N 2 1 318.509 3.143 50 0 DGAAMP CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055212139 431978159 /nfs/dbraw/zinc/97/81/59/431978159.db2.gz XPADMYINMLEZFQ-RBUKOAKNSA-N 2 1 318.509 3.143 50 0 DGAAMP CC(C)C[NH+](Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055212139 431978161 /nfs/dbraw/zinc/97/81/61/431978161.db2.gz XPADMYINMLEZFQ-RBUKOAKNSA-N 2 1 318.509 3.143 50 0 DGAAMP CC(C)C[NH+](Cc1cnn(C)c1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055212139 431978162 /nfs/dbraw/zinc/97/81/62/431978162.db2.gz XPADMYINMLEZFQ-RBUKOAKNSA-N 2 1 318.509 3.143 50 0 DGAAMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000096479051 431953019 /nfs/dbraw/zinc/95/30/19/431953019.db2.gz BVSOUDSQZHHPBC-YJBOKZPZSA-N 2 1 304.503 3.382 50 0 DGAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000096479051 431953021 /nfs/dbraw/zinc/95/30/21/431953021.db2.gz BVSOUDSQZHHPBC-YJBOKZPZSA-N 2 1 304.503 3.382 50 0 DGAAMP c1ccc(C[N@@H+]2CC[C@H](CN3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495442 432380184 /nfs/dbraw/zinc/38/01/84/432380184.db2.gz OQIOZTYAHAORNP-IBGZPJMESA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495442 432380189 /nfs/dbraw/zinc/38/01/89/432380189.db2.gz OQIOZTYAHAORNP-IBGZPJMESA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495442 432380193 /nfs/dbraw/zinc/38/01/93/432380193.db2.gz OQIOZTYAHAORNP-IBGZPJMESA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495442 432380196 /nfs/dbraw/zinc/38/01/96/432380196.db2.gz OQIOZTYAHAORNP-IBGZPJMESA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495442 432380200 /nfs/dbraw/zinc/38/02/00/432380200.db2.gz OQIOZTYAHAORNP-IBGZPJMESA-N 2 1 314.473 3.154 50 0 DGAAMP COCC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C ZINC000243885853 432820166 /nfs/dbraw/zinc/82/01/66/432820166.db2.gz ACVWLFVUSMMSGP-LJQANCHMSA-N 2 1 304.478 3.318 50 0 DGAAMP COCC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C ZINC000243885853 432820169 /nfs/dbraw/zinc/82/01/69/432820169.db2.gz ACVWLFVUSMMSGP-LJQANCHMSA-N 2 1 304.478 3.318 50 0 DGAAMP COCC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C ZINC000243885853 432820170 /nfs/dbraw/zinc/82/01/70/432820170.db2.gz ACVWLFVUSMMSGP-LJQANCHMSA-N 2 1 304.478 3.318 50 0 DGAAMP COCC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1C ZINC000243885853 432820174 /nfs/dbraw/zinc/82/01/74/432820174.db2.gz ACVWLFVUSMMSGP-LJQANCHMSA-N 2 1 304.478 3.318 50 0 DGAAMP COc1ccc([C@H]([NH2+]CCCc2c[nH+]cn2C)C(C)C)cc1 ZINC000408523828 434587269 /nfs/dbraw/zinc/58/72/69/434587269.db2.gz NVYZWKSCVYQSCT-GOSISDBHSA-N 2 1 301.434 3.348 50 0 DGAAMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000888099155 618625842 /nfs/dbraw/zinc/62/58/42/618625842.db2.gz WQWVYTNTAGWGKG-CVEARBPZSA-N 2 1 323.444 3.004 50 0 DGAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468700 660611072 /nfs/dbraw/zinc/61/10/72/660611072.db2.gz XZWBQTYIFOBCPL-FQEVSTJZSA-N 2 1 316.489 3.238 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468700 660611074 /nfs/dbraw/zinc/61/10/74/660611074.db2.gz XZWBQTYIFOBCPL-FQEVSTJZSA-N 2 1 316.489 3.238 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468700 660611076 /nfs/dbraw/zinc/61/10/76/660611076.db2.gz XZWBQTYIFOBCPL-FQEVSTJZSA-N 2 1 316.489 3.238 50 0 DGAAMP Cc1cc(F)ccc1N1CCC([NH2+]CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001506418938 1186224955 /nfs/dbraw/zinc/22/49/55/1186224955.db2.gz KTMRIHYYNRKDBX-SFHVURJKSA-N 2 1 319.468 3.177 50 0 DGAAMP CCc1[nH+]ccn1C[C@@H](C)N1CCOc2ccc(Cl)cc2C1 ZINC001506427328 1186227234 /nfs/dbraw/zinc/22/72/34/1186227234.db2.gz VWYJEJCPTDWLNA-CYBMUJFWSA-N 2 1 319.836 3.382 50 0 DGAAMP COc1cccc(C[N@@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)c1F ZINC001704303435 1202519754 /nfs/dbraw/zinc/51/97/54/1202519754.db2.gz YETMJJZBVDXCLJ-WNKDZCFJSA-N 2 1 320.452 3.385 50 0 DGAAMP CCCC[N@@H+](CCCCO)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000828747943 1091842057 /nfs/dbraw/zinc/84/20/57/1091842057.db2.gz KLEOXHVKLQDXCS-UHFFFAOYSA-N 2 1 322.493 3.002 50 0 DGAAMP CC[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000952882303 1096786318 /nfs/dbraw/zinc/78/63/18/1096786318.db2.gz PHMLNUGMSUHUEH-IEBWSBKVSA-N 2 1 302.462 3.056 50 0 DGAAMP CC[C@H]1CN(Cc2cc(C[NH+](C)C)cs2)CC[N@H+]1C(C)C ZINC000072166123 191065430 /nfs/dbraw/zinc/06/54/30/191065430.db2.gz RYDFQPFWVPLKNT-INIZCTEOSA-N 2 1 309.523 3.114 50 0 DGAAMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000067758473 432038846 /nfs/dbraw/zinc/03/88/46/432038846.db2.gz JDXMDKAPUWCATP-HNNXBMFYSA-N 2 1 318.424 3.077 50 0 DGAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000067758473 432038851 /nfs/dbraw/zinc/03/88/51/432038851.db2.gz JDXMDKAPUWCATP-HNNXBMFYSA-N 2 1 318.424 3.077 50 0 DGAAMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cncn1C ZINC000237522765 202270812 /nfs/dbraw/zinc/27/08/12/202270812.db2.gz PUDAJEIRZMYQDA-INIZCTEOSA-N 2 1 312.461 3.084 50 0 DGAAMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cncn1C ZINC000237522765 202270814 /nfs/dbraw/zinc/27/08/14/202270814.db2.gz PUDAJEIRZMYQDA-INIZCTEOSA-N 2 1 312.461 3.084 50 0 DGAAMP CC(C)[NH+]1CCC(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)CC1 ZINC000055042177 431974858 /nfs/dbraw/zinc/97/48/58/431974858.db2.gz HCUCHJVUPADZCG-GOSISDBHSA-N 2 1 318.505 3.237 50 0 DGAAMP CCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000096421161 431947518 /nfs/dbraw/zinc/94/75/18/431947518.db2.gz OCGSMSPNVDQFFG-DFNIBXOVSA-N 2 1 302.462 3.150 50 0 DGAAMP CCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000096421161 431947520 /nfs/dbraw/zinc/94/75/20/431947520.db2.gz OCGSMSPNVDQFFG-DFNIBXOVSA-N 2 1 302.462 3.150 50 0 DGAAMP CCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000096421161 431947522 /nfs/dbraw/zinc/94/75/22/431947522.db2.gz OCGSMSPNVDQFFG-DFNIBXOVSA-N 2 1 302.462 3.150 50 0 DGAAMP CC(C)OCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000096484318 431953131 /nfs/dbraw/zinc/95/31/31/431953131.db2.gz DTCALUWAVCLCQH-RBUKOAKNSA-N 2 1 302.462 3.328 50 0 DGAAMP [NH3+]CC[C@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)CCO1 ZINC000097499481 431970493 /nfs/dbraw/zinc/97/04/93/431970493.db2.gz OBMIQKMNCLHHGS-HNNXBMFYSA-N 2 1 310.397 3.136 50 0 DGAAMP C[C@@H]1CC[NH+](CCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171498 432341117 /nfs/dbraw/zinc/34/11/17/432341117.db2.gz VHESNWDNJSERGI-GASCZTMLSA-N 2 1 302.553 3.031 50 0 DGAAMP C[C@@H]1CC[N@H+](CCC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171498 432341119 /nfs/dbraw/zinc/34/11/19/432341119.db2.gz VHESNWDNJSERGI-GASCZTMLSA-N 2 1 302.553 3.031 50 0 DGAAMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171498 432341121 /nfs/dbraw/zinc/34/11/21/432341121.db2.gz VHESNWDNJSERGI-GASCZTMLSA-N 2 1 302.553 3.031 50 0 DGAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000244724078 432821676 /nfs/dbraw/zinc/82/16/76/432821676.db2.gz MNDBGZVJUBYIID-GOSISDBHSA-N 2 1 312.461 3.040 50 0 DGAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000244724078 432821677 /nfs/dbraw/zinc/82/16/77/432821677.db2.gz MNDBGZVJUBYIID-GOSISDBHSA-N 2 1 312.461 3.040 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000245287292 432824944 /nfs/dbraw/zinc/82/49/44/432824944.db2.gz BVJNWHFPUQUQPY-MQPDGSBLSA-N 3 1 321.553 3.348 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)CC1 ZINC000245287292 432824948 /nfs/dbraw/zinc/82/49/48/432824948.db2.gz BVJNWHFPUQUQPY-MQPDGSBLSA-N 2 1 321.553 3.348 50 0 DGAAMP Cn1c(C[N@H+](C)C[C@@]2(C)CC[NH+](C)C2)cc2cc(F)ccc21 ZINC000215007108 546260333 /nfs/dbraw/zinc/26/03/33/546260333.db2.gz YJJIAAOOUHWFLV-SFHVURJKSA-N 2 1 303.425 3.091 50 0 DGAAMP Cn1c(C[N@@H+](C)C[C@@]2(C)CC[NH+](C)C2)cc2cc(F)ccc21 ZINC000215007108 546260336 /nfs/dbraw/zinc/26/03/36/546260336.db2.gz YJJIAAOOUHWFLV-SFHVURJKSA-N 2 1 303.425 3.091 50 0 DGAAMP Cn1c(C[NH+](C)C[C@@]2(C)CC[N@H+](C)C2)cc2cc(F)ccc21 ZINC000215007108 546260338 /nfs/dbraw/zinc/26/03/38/546260338.db2.gz YJJIAAOOUHWFLV-SFHVURJKSA-N 2 1 303.425 3.091 50 0 DGAAMP Cn1c(C[NH+](C)C[C@@]2(C)CC[N@@H+](C)C2)cc2cc(F)ccc21 ZINC000215007108 546260341 /nfs/dbraw/zinc/26/03/41/546260341.db2.gz YJJIAAOOUHWFLV-SFHVURJKSA-N 2 1 303.425 3.091 50 0 DGAAMP CCn1cncc1C[N@H+]1CC[C@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012314845 660528209 /nfs/dbraw/zinc/52/82/09/660528209.db2.gz ODFQBLMFLXZBLP-SFHVURJKSA-N 2 1 318.509 3.093 50 0 DGAAMP Cc1c2ccccc2oc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1CO ZINC000952967992 662208967 /nfs/dbraw/zinc/20/89/67/662208967.db2.gz IURFHKSLLGIVDB-MRXNPFEDSA-N 2 1 316.445 3.068 50 0 DGAAMP Cc1c2ccccc2oc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1CO ZINC000952967992 662208970 /nfs/dbraw/zinc/20/89/70/662208970.db2.gz IURFHKSLLGIVDB-MRXNPFEDSA-N 2 1 316.445 3.068 50 0 DGAAMP Cc1cc(C)n(CC2(C[NH2+][C@H](C)C[NH+]3CCCCCC3)CC2)n1 ZINC001506404003 1186222841 /nfs/dbraw/zinc/22/28/41/1186222841.db2.gz DQCKPCKAHRODAZ-QGZVFWFLSA-N 2 1 318.509 3.134 50 0 DGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nc2ccccc2s1 ZINC001506414272 1186224180 /nfs/dbraw/zinc/22/41/80/1186224180.db2.gz QGHZEKXPCKKQOM-CYBMUJFWSA-N 2 1 314.458 3.276 50 0 DGAAMP C[C@H](CCn1cccn1)[NH2+]C1(C[NH+]2CCCC2)CCCCC1 ZINC000821826869 1091650597 /nfs/dbraw/zinc/65/05/97/1091650597.db2.gz YWCDUBQAPDRDHA-QGZVFWFLSA-N 2 1 304.482 3.050 50 0 DGAAMP CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458003 432031305 /nfs/dbraw/zinc/03/13/05/432031305.db2.gz XRIGDZOUGMEWIL-GOSISDBHSA-N 2 1 312.461 3.036 50 0 DGAAMP CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458003 432031307 /nfs/dbraw/zinc/03/13/07/432031307.db2.gz XRIGDZOUGMEWIL-GOSISDBHSA-N 2 1 312.461 3.036 50 0 DGAAMP CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458003 432031308 /nfs/dbraw/zinc/03/13/08/432031308.db2.gz XRIGDZOUGMEWIL-GOSISDBHSA-N 2 1 312.461 3.036 50 0 DGAAMP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000067678058 432034295 /nfs/dbraw/zinc/03/42/95/432034295.db2.gz JIBMTSGZBXIPRR-SJORKVTESA-N 2 1 310.445 3.020 50 0 DGAAMP Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000067678058 432034297 /nfs/dbraw/zinc/03/42/97/432034297.db2.gz JIBMTSGZBXIPRR-SJORKVTESA-N 2 1 310.445 3.020 50 0 DGAAMP COc1cc2c(cc1OC)C1(CCCC1)C[N@@H+](CCC[NH3+])[C@@H]2C ZINC000003149992 180986168 /nfs/dbraw/zinc/98/61/68/180986168.db2.gz MNWINNFZLRVWCS-CQSZACIVSA-N 2 1 318.461 3.241 50 0 DGAAMP CCCC[C@@H](CC)C[NH2+]Cc1cccn1CC[NH+]1CCOCC1 ZINC000004681296 181135738 /nfs/dbraw/zinc/13/57/38/181135738.db2.gz CHQDZNDCTFEWOO-GOSISDBHSA-N 2 1 321.509 3.126 50 0 DGAAMP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000092078438 193153626 /nfs/dbraw/zinc/15/36/26/193153626.db2.gz NRNFIYWWTPMXAO-GOSISDBHSA-N 2 1 324.472 3.111 50 0 DGAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000092078438 193153628 /nfs/dbraw/zinc/15/36/28/193153628.db2.gz NRNFIYWWTPMXAO-GOSISDBHSA-N 2 1 324.472 3.111 50 0 DGAAMP Cc1ccc2[nH]c(C[N@@H+](C)CCCc3[nH+]ccn3C)cc(=O)c2c1 ZINC000092082065 193155130 /nfs/dbraw/zinc/15/51/30/193155130.db2.gz PYWDAAHMPZTBNB-UHFFFAOYSA-N 2 1 324.428 3.047 50 0 DGAAMP Cc1ccc2[nH]c(C[N@H+](C)CCCc3[nH+]ccn3C)cc(=O)c2c1 ZINC000092082065 193155132 /nfs/dbraw/zinc/15/51/32/193155132.db2.gz PYWDAAHMPZTBNB-UHFFFAOYSA-N 2 1 324.428 3.047 50 0 DGAAMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCSCC1 ZINC000245287303 401004980 /nfs/dbraw/zinc/00/49/80/401004980.db2.gz BVSOUDSQZHHPBC-MAUKXSAKSA-N 2 1 304.503 3.382 50 0 DGAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCSCC1 ZINC000245287303 401004982 /nfs/dbraw/zinc/00/49/82/401004982.db2.gz BVSOUDSQZHHPBC-MAUKXSAKSA-N 2 1 304.503 3.382 50 0 DGAAMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000125144008 431915756 /nfs/dbraw/zinc/91/57/56/431915756.db2.gz CLHFTEAMBOZLGA-MRXNPFEDSA-N 2 1 312.461 3.227 50 0 DGAAMP COc1ccc(F)c(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)c1 ZINC000097610279 431972304 /nfs/dbraw/zinc/97/23/04/431972304.db2.gz BOORSPYATRGFLH-UHFFFAOYSA-N 2 1 317.408 3.251 50 0 DGAAMP Cc1[nH+]ccn1CCC[NH+]1CCC(Nc2ccc(C)cc2)CC1 ZINC000095975831 431930727 /nfs/dbraw/zinc/93/07/27/431930727.db2.gz CGNMVIWFWSRTER-UHFFFAOYSA-N 2 1 312.461 3.467 50 0 DGAAMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1C ZINC000096402788 431945817 /nfs/dbraw/zinc/94/58/17/431945817.db2.gz DMICRBOPTJEEEF-UHFFFAOYSA-N 2 1 323.484 3.495 50 0 DGAAMP C[NH+]1CCC([NH2+]CCOCc2ccc(Cl)cc2Cl)CC1 ZINC000096493963 431954507 /nfs/dbraw/zinc/95/45/07/431954507.db2.gz AQMLTXOGZNEUOL-UHFFFAOYSA-N 2 1 317.260 3.194 50 0 DGAAMP C[NH+]1CCC2(CC1)C[N@H+](C1CCCC1)Cc1ccccc1O2 ZINC000257193377 432415984 /nfs/dbraw/zinc/41/59/84/432415984.db2.gz YHXJAKSVQKMUOF-UHFFFAOYSA-N 2 1 300.446 3.288 50 0 DGAAMP CCCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1C ZINC000241316662 432815321 /nfs/dbraw/zinc/81/53/21/432815321.db2.gz LTWQWLLWMVYUCR-KDOFPFPSSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1C ZINC000241316662 432815322 /nfs/dbraw/zinc/81/53/22/432815322.db2.gz LTWQWLLWMVYUCR-KDOFPFPSSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1C ZINC000241316662 432815325 /nfs/dbraw/zinc/81/53/25/432815325.db2.gz LTWQWLLWMVYUCR-KDOFPFPSSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1C ZINC000241316662 432815326 /nfs/dbraw/zinc/81/53/26/432815326.db2.gz LTWQWLLWMVYUCR-KDOFPFPSSA-N 2 1 306.498 3.072 50 0 DGAAMP c1cnn(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245744377 432860501 /nfs/dbraw/zinc/86/05/01/432860501.db2.gz SFMOXBPUFNNPCM-ACDBMABISA-N 2 1 324.472 3.058 50 0 DGAAMP Cc1ccc(C(=O)CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000534637755 334310056 /nfs/dbraw/zinc/31/00/56/334310056.db2.gz BKZQVEGHXGPDIX-UHFFFAOYSA-N 2 1 300.446 3.033 50 0 DGAAMP C[NH+](C)C1(C[NH2+]C2CC(Sc3ccccc3)C2)CCOCC1 ZINC000863984681 621724686 /nfs/dbraw/zinc/72/46/86/621724686.db2.gz YQPULAPTAOEECI-UHFFFAOYSA-N 2 1 320.502 3.010 50 0 DGAAMP CC[N@@H+](CCOC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012760451 660517129 /nfs/dbraw/zinc/51/71/29/660517129.db2.gz CBCWZTMZJLRKGM-UHFFFAOYSA-N 2 1 308.441 3.006 50 0 DGAAMP CC[C@@H]1C=CC[N@H+]1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000952873905 1096784204 /nfs/dbraw/zinc/78/42/04/1096784204.db2.gz QAVBJJVXYMASBJ-GOSISDBHSA-N 2 1 300.446 3.441 50 0 DGAAMP c1c(C[NH2+]C2CCCC2)nn2c1C[N@@H+](C1CCCCC1)CCC2 ZINC000082099701 192356420 /nfs/dbraw/zinc/35/64/20/192356420.db2.gz NWABOOSMZGFPGW-UHFFFAOYSA-N 2 1 316.493 3.454 50 0 DGAAMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069952072 190842891 /nfs/dbraw/zinc/84/28/91/190842891.db2.gz SAXDQNJHJFAMAY-CQSZACIVSA-N 2 1 310.869 3.037 50 0 DGAAMP CCCCc1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)c[nH]1 ZINC000067755523 432039861 /nfs/dbraw/zinc/03/98/61/432039861.db2.gz VICGAAGOWHHBKT-UHFFFAOYSA-N 2 1 304.482 3.108 50 0 DGAAMP CCCCc1ncc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)[nH]1 ZINC000067755523 432039866 /nfs/dbraw/zinc/03/98/66/432039866.db2.gz VICGAAGOWHHBKT-UHFFFAOYSA-N 2 1 304.482 3.108 50 0 DGAAMP CCCCc1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)[nH]1 ZINC000067755523 432039869 /nfs/dbraw/zinc/03/98/69/432039869.db2.gz VICGAAGOWHHBKT-UHFFFAOYSA-N 2 1 304.482 3.108 50 0 DGAAMP CCCC[C@H](CC)C[NH2+]Cc1cccn1CC[NH+]1CCOCC1 ZINC000004681297 181136037 /nfs/dbraw/zinc/13/60/37/181136037.db2.gz CHQDZNDCTFEWOO-SFHVURJKSA-N 2 1 321.509 3.126 50 0 DGAAMP CCCn1cc(C2=CC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000067846664 432043427 /nfs/dbraw/zinc/04/34/27/432043427.db2.gz BRCGPGWWAAFBOJ-IBGZPJMESA-N 2 1 316.493 3.257 50 0 DGAAMP CCCn1cc(C2=CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000067846664 432043431 /nfs/dbraw/zinc/04/34/31/432043431.db2.gz BRCGPGWWAAFBOJ-IBGZPJMESA-N 2 1 316.493 3.257 50 0 DGAAMP CCCn1cc(C2=CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000067846664 432043433 /nfs/dbraw/zinc/04/34/33/432043433.db2.gz BRCGPGWWAAFBOJ-IBGZPJMESA-N 2 1 316.493 3.257 50 0 DGAAMP CCCn1cc(C2=CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000067846664 432043437 /nfs/dbraw/zinc/04/34/37/432043437.db2.gz BRCGPGWWAAFBOJ-IBGZPJMESA-N 2 1 316.493 3.257 50 0 DGAAMP C([NH2+]C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000067871323 432045543 /nfs/dbraw/zinc/04/55/43/432045543.db2.gz HLICTDSZOAUCER-PKOBYXMFSA-N 3 1 319.537 3.153 50 0 DGAAMP C([NH2+]C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCCN2CCCC[C@H]12 ZINC000067871323 432045547 /nfs/dbraw/zinc/04/55/47/432045547.db2.gz HLICTDSZOAUCER-PKOBYXMFSA-N 2 1 319.537 3.153 50 0 DGAAMP c1cn(Cc2cccnc2)c([C@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000092004427 193139909 /nfs/dbraw/zinc/13/99/09/193139909.db2.gz WCURNADPPVMTBG-KRWDZBQOSA-N 2 1 319.412 3.105 50 0 DGAAMP CN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000022852358 182338104 /nfs/dbraw/zinc/33/81/04/182338104.db2.gz BXYLGBCKDSZXHF-KRWDZBQOSA-N 2 1 323.912 3.188 50 0 DGAAMP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852358 182338105 /nfs/dbraw/zinc/33/81/05/182338105.db2.gz BXYLGBCKDSZXHF-KRWDZBQOSA-N 2 1 323.912 3.188 50 0 DGAAMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852358 182338107 /nfs/dbraw/zinc/33/81/07/182338107.db2.gz BXYLGBCKDSZXHF-KRWDZBQOSA-N 2 1 323.912 3.188 50 0 DGAAMP CN(C)C[C@@]1(O)CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000216491761 257273623 /nfs/dbraw/zinc/27/36/23/257273623.db2.gz OQPCGUZSCDNXKK-FQEVSTJZSA-N 2 1 324.424 3.084 50 0 DGAAMP C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000216491761 257273627 /nfs/dbraw/zinc/27/36/27/257273627.db2.gz OQPCGUZSCDNXKK-FQEVSTJZSA-N 2 1 324.424 3.084 50 0 DGAAMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)C2)nc(C)[nH+]1 ZINC000623406619 401508986 /nfs/dbraw/zinc/50/89/86/401508986.db2.gz DVBFJYNZYCNQLV-ZSGPHXLJSA-N 2 1 314.477 3.086 50 0 DGAAMP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000077380515 431590662 /nfs/dbraw/zinc/59/06/62/431590662.db2.gz KBKDPCWKRXCKRH-OAQYLSRUSA-N 2 1 324.468 3.263 50 0 DGAAMP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000077380515 431590665 /nfs/dbraw/zinc/59/06/65/431590665.db2.gz KBKDPCWKRXCKRH-OAQYLSRUSA-N 2 1 324.468 3.263 50 0 DGAAMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000078648326 431690534 /nfs/dbraw/zinc/69/05/34/431690534.db2.gz BOCKDSDSLQYMCL-OAQYLSRUSA-N 2 1 324.468 3.283 50 0 DGAAMP C[C@H](Cc1ccsc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594786 431871345 /nfs/dbraw/zinc/87/13/45/431871345.db2.gz RKXTYTMWEAVVBD-MRXNPFEDSA-N 2 1 322.518 3.304 50 0 DGAAMP Cc1cccc(N2CCC([NH2+]CCOc3ccccc3)CC2)[nH+]1 ZINC000097096468 431961265 /nfs/dbraw/zinc/96/12/65/431961265.db2.gz IHHXODXGJJTVRB-UHFFFAOYSA-N 2 1 311.429 3.027 50 0 DGAAMP C[C@H]1CC[NH+](CCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171503 432340859 /nfs/dbraw/zinc/34/08/59/432340859.db2.gz VHESNWDNJSERGI-GJZGRUSLSA-N 2 1 302.553 3.031 50 0 DGAAMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC(F)(F)F)CC2)cc1 ZINC000195541231 432627277 /nfs/dbraw/zinc/62/72/77/432627277.db2.gz MUVQJLKKSUSKRM-UHFFFAOYSA-N 2 1 318.358 3.375 50 0 DGAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000215347074 432643180 /nfs/dbraw/zinc/64/31/80/432643180.db2.gz WUJKIAAJWJSOAH-UHFFFAOYSA-N 2 1 310.401 3.140 50 0 DGAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000215347074 432643187 /nfs/dbraw/zinc/64/31/87/432643187.db2.gz WUJKIAAJWJSOAH-UHFFFAOYSA-N 2 1 310.401 3.140 50 0 DGAAMP CCn1ccc2c1cccc2C[N@H+](C)CCCc1[nH+]ccn1C ZINC000215802721 432645590 /nfs/dbraw/zinc/64/55/90/432645590.db2.gz ZTKFAZCDBYHURA-UHFFFAOYSA-N 2 1 310.445 3.459 50 0 DGAAMP CCn1ccc2c1cccc2C[N@@H+](C)CCCc1[nH+]ccn1C ZINC000215802721 432645596 /nfs/dbraw/zinc/64/55/96/432645596.db2.gz ZTKFAZCDBYHURA-UHFFFAOYSA-N 2 1 310.445 3.459 50 0 DGAAMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCCc2[nH+]ccn2C)cc1 ZINC000216329614 432650179 /nfs/dbraw/zinc/65/01/79/432650179.db2.gz VMKGIZKFGRNIML-UHFFFAOYSA-N 2 1 323.444 3.183 50 0 DGAAMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCCc2[nH+]ccn2C)cc1 ZINC000216329614 432650183 /nfs/dbraw/zinc/65/01/83/432650183.db2.gz VMKGIZKFGRNIML-UHFFFAOYSA-N 2 1 323.444 3.183 50 0 DGAAMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC000225421078 432691316 /nfs/dbraw/zinc/69/13/16/432691316.db2.gz DVUQDHITEFOMPH-IBGZPJMESA-N 2 1 307.526 3.059 50 0 DGAAMP C[N@@H+](Cc1cccc(OCC[NH3+])c1)Cc1cccc2cccnc21 ZINC000299780247 433382638 /nfs/dbraw/zinc/38/26/38/433382638.db2.gz MRJMUKCVUQAAKS-UHFFFAOYSA-N 2 1 321.424 3.204 50 0 DGAAMP C[N@@H+](Cc1ccoc1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299802919 433389537 /nfs/dbraw/zinc/38/95/37/433389537.db2.gz YFSUAIOAIZLVBY-UHFFFAOYSA-N 2 1 300.402 3.042 50 0 DGAAMP CC(C)=CC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC000090891373 545831367 /nfs/dbraw/zinc/83/13/67/545831367.db2.gz UMWRXXGYGKORJQ-IBGZPJMESA-N 2 1 320.452 3.053 50 0 DGAAMP CCNc1ccnc(NC[C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC001506401643 1186221679 /nfs/dbraw/zinc/22/16/79/1186221679.db2.gz NLZLGQLEFDKJLE-OAHLLOKOSA-N 2 1 317.481 3.365 50 0 DGAAMP CCNc1cc[nH+]c(NC[C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC001506401643 1186221685 /nfs/dbraw/zinc/22/16/85/1186221685.db2.gz NLZLGQLEFDKJLE-OAHLLOKOSA-N 2 1 317.481 3.365 50 0 DGAAMP CCNc1cc[nH+]c(NC[C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC001506401643 1186221689 /nfs/dbraw/zinc/22/16/89/1186221689.db2.gz NLZLGQLEFDKJLE-OAHLLOKOSA-N 2 1 317.481 3.365 50 0 DGAAMP CC[NH+]1CCC(N2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000823107070 1091683697 /nfs/dbraw/zinc/68/36/97/1091683697.db2.gz QQVGELLQLZETJZ-VQTJNVASSA-N 2 1 319.537 3.200 50 0 DGAAMP C[N@H+](Cc1cc(C[NH+]2CCCCC2)cs1)C[C@H]1CCOC1 ZINC000823719841 1091698569 /nfs/dbraw/zinc/69/85/69/1091698569.db2.gz OBANPNBQUOICRC-OAHLLOKOSA-N 2 1 308.491 3.202 50 0 DGAAMP Cc1ncsc1CC[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072128401 191043081 /nfs/dbraw/zinc/04/30/81/191043081.db2.gz CGNSMTOFBISCQN-JKSUJKDBSA-N 2 1 307.507 3.190 50 0 DGAAMP Cc1ncsc1CC[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072128401 191043084 /nfs/dbraw/zinc/04/30/84/191043084.db2.gz CGNSMTOFBISCQN-JKSUJKDBSA-N 2 1 307.507 3.190 50 0 DGAAMP Cc1ncsc1CC[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072128401 191043087 /nfs/dbraw/zinc/04/30/87/191043087.db2.gz CGNSMTOFBISCQN-JKSUJKDBSA-N 2 1 307.507 3.190 50 0 DGAAMP Cc1ncsc1CC[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072128401 191043089 /nfs/dbraw/zinc/04/30/89/191043089.db2.gz CGNSMTOFBISCQN-JKSUJKDBSA-N 2 1 307.507 3.190 50 0 DGAAMP C[N@@H+](CCOc1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072147415 191052337 /nfs/dbraw/zinc/05/23/37/191052337.db2.gz WAIXJUVAJLKNPN-PKOBYXMFSA-N 2 1 302.462 3.262 50 0 DGAAMP C[NH+](CCOc1ccccc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072147415 191052340 /nfs/dbraw/zinc/05/23/40/191052340.db2.gz WAIXJUVAJLKNPN-PKOBYXMFSA-N 2 1 302.462 3.262 50 0 DGAAMP C[NH+](CCOc1ccccc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072147415 191052343 /nfs/dbraw/zinc/05/23/43/191052343.db2.gz WAIXJUVAJLKNPN-PKOBYXMFSA-N 2 1 302.462 3.262 50 0 DGAAMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000072171112 191069615 /nfs/dbraw/zinc/06/96/15/191069615.db2.gz PWAYCEPLFBVWKZ-KRWDZBQOSA-N 2 1 302.462 3.316 50 0 DGAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000072171112 191069618 /nfs/dbraw/zinc/06/96/18/191069618.db2.gz PWAYCEPLFBVWKZ-KRWDZBQOSA-N 2 1 302.462 3.316 50 0 DGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072440780 191167236 /nfs/dbraw/zinc/16/72/36/191167236.db2.gz BMUQOYOSXHQELD-UHFFFAOYSA-N 2 1 315.461 3.027 50 0 DGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072440780 191167239 /nfs/dbraw/zinc/16/72/39/191167239.db2.gz BMUQOYOSXHQELD-UHFFFAOYSA-N 2 1 315.461 3.027 50 0 DGAAMP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004989291 181186013 /nfs/dbraw/zinc/18/60/13/181186013.db2.gz YIMSPZSPOCILQU-UHFFFAOYSA-N 2 1 310.441 3.449 50 0 DGAAMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180045224 199111422 /nfs/dbraw/zinc/11/14/22/199111422.db2.gz MXPQJPQOQBRLPW-GOSISDBHSA-N 2 1 322.880 3.228 50 0 DGAAMP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000017744597 400179661 /nfs/dbraw/zinc/17/96/61/400179661.db2.gz STOIDVYLZDJBSA-UHFFFAOYSA-N 2 1 324.468 3.492 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOc2cccnc2)cc1 ZINC000169042098 400758300 /nfs/dbraw/zinc/75/83/00/400758300.db2.gz UMOIHDULERYXEF-OAHLLOKOSA-N 2 1 322.412 3.305 50 0 DGAAMP COC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CC12CC[NH2+]CC2 ZINC000169789818 400761665 /nfs/dbraw/zinc/76/16/65/400761665.db2.gz KLZJHPGPTXYFNV-IBGZPJMESA-N 2 1 316.489 3.258 50 0 DGAAMP C[C@@H]([NH2+]C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192863058 400916741 /nfs/dbraw/zinc/91/67/41/400916741.db2.gz BDUHUYJFDGQVPD-BPIHKTFHSA-N 2 1 315.505 3.331 50 0 DGAAMP C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014953306 431597389 /nfs/dbraw/zinc/59/73/89/431597389.db2.gz GZMIHZPOQSURDU-GOSISDBHSA-N 2 1 320.452 3.149 50 0 DGAAMP COc1ccc(C[NH+]2CCC([C@@H](C)[NH+](C)C)CC2)c(F)c1F ZINC000077537411 431605628 /nfs/dbraw/zinc/60/56/28/431605628.db2.gz NGYAWJRYPGRZRZ-GFCCVEGCSA-N 2 1 312.404 3.136 50 0 DGAAMP Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c2ccccc2[nH+]1 ZINC000089583048 431870205 /nfs/dbraw/zinc/87/02/05/431870205.db2.gz CSXADDSIIOIBRP-UHFFFAOYSA-N 2 1 318.424 3.260 50 0 DGAAMP CCOc1cc(C)c(C[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1C(C)C ZINC000097631934 431972617 /nfs/dbraw/zinc/97/26/17/431972617.db2.gz FZJWKAWMANXESU-QGZVFWFLSA-N 2 1 320.477 3.067 50 0 DGAAMP CCOc1cc(C)c(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1C(C)C ZINC000097631934 431972618 /nfs/dbraw/zinc/97/26/18/431972618.db2.gz FZJWKAWMANXESU-QGZVFWFLSA-N 2 1 320.477 3.067 50 0 DGAAMP COCC[N@H+](Cc1ccccc1F)CC1CC[NH+](C(C)C)CC1 ZINC000055183289 431978085 /nfs/dbraw/zinc/97/80/85/431978085.db2.gz FARIFPSLWOPXBS-UHFFFAOYSA-N 2 1 322.468 3.395 50 0 DGAAMP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000055291862 431979214 /nfs/dbraw/zinc/97/92/14/431979214.db2.gz FKKZXHRWSGYQIQ-UHFFFAOYSA-N 2 1 311.267 3.413 50 0 DGAAMP COc1ccc(/C=C/C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000097360061 431968089 /nfs/dbraw/zinc/96/80/89/431968089.db2.gz AJAOKCWWBJDIOU-ONEGZZNKSA-N 2 1 323.440 3.234 50 0 DGAAMP CCC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252511434 432381461 /nfs/dbraw/zinc/38/14/61/432381461.db2.gz GSTCHJFEQQCRMS-QGTPRVQTSA-N 2 1 315.461 3.313 50 0 DGAAMP CC[C@@H]1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@H]12 ZINC000220010908 432665677 /nfs/dbraw/zinc/66/56/77/432665677.db2.gz NWBSGPIBPBIMIZ-IYWMVGAKSA-N 2 1 314.473 3.054 50 0 DGAAMP COc1ccccc1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000244646908 432821803 /nfs/dbraw/zinc/82/18/03/432821803.db2.gz GRMCCWJHLHSGEB-QGZVFWFLSA-N 2 1 302.462 3.359 50 0 DGAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000241383103 432815694 /nfs/dbraw/zinc/81/56/94/432815694.db2.gz MSOPXUOKPTWALB-PSBWJHGTSA-N 2 1 318.505 3.107 50 0 DGAAMP C[N@@H+](CCc1ccccc1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299799874 433390238 /nfs/dbraw/zinc/39/02/38/433390238.db2.gz UVIFUVYLQRHPJA-UHFFFAOYSA-N 2 1 324.468 3.492 50 0 DGAAMP CC[N@H+]1CC[C@@H](CN(C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045390 546261231 /nfs/dbraw/zinc/26/12/31/546261231.db2.gz DIFIFRBCTZBKRC-INIZCTEOSA-N 2 1 321.534 3.118 50 0 DGAAMP CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045390 546261236 /nfs/dbraw/zinc/26/12/36/546261236.db2.gz DIFIFRBCTZBKRC-INIZCTEOSA-N 3 1 321.534 3.118 50 0 DGAAMP CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045390 546261242 /nfs/dbraw/zinc/26/12/42/546261242.db2.gz DIFIFRBCTZBKRC-INIZCTEOSA-N 3 1 321.534 3.118 50 0 DGAAMP CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045390 546261247 /nfs/dbraw/zinc/26/12/47/546261247.db2.gz DIFIFRBCTZBKRC-INIZCTEOSA-N 3 1 321.534 3.118 50 0 DGAAMP CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045390 546261251 /nfs/dbraw/zinc/26/12/51/546261251.db2.gz DIFIFRBCTZBKRC-INIZCTEOSA-N 3 1 321.534 3.118 50 0 DGAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073754 660495273 /nfs/dbraw/zinc/49/52/73/660495273.db2.gz WQNJPFGVFFUXFW-XEYRCQSKSA-N 2 1 318.461 3.117 50 0 DGAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073754 660495276 /nfs/dbraw/zinc/49/52/76/660495276.db2.gz WQNJPFGVFFUXFW-XEYRCQSKSA-N 2 1 318.461 3.117 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073754 660495279 /nfs/dbraw/zinc/49/52/79/660495279.db2.gz WQNJPFGVFFUXFW-XEYRCQSKSA-N 2 1 318.461 3.117 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073754 660495281 /nfs/dbraw/zinc/49/52/81/660495281.db2.gz WQNJPFGVFFUXFW-XEYRCQSKSA-N 2 1 318.461 3.117 50 0 DGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000952972357 662209544 /nfs/dbraw/zinc/20/95/44/662209544.db2.gz SIDZIQOIDJUBCT-SFHVURJKSA-N 2 1 315.465 3.414 50 0 DGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000952972357 662209548 /nfs/dbraw/zinc/20/95/48/662209548.db2.gz SIDZIQOIDJUBCT-SFHVURJKSA-N 2 1 315.465 3.414 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CSCCSC2)cc1 ZINC001506404178 1186223139 /nfs/dbraw/zinc/22/31/39/1186223139.db2.gz SFEDHILHLVOHTM-UHFFFAOYSA-N 2 1 319.499 3.119 50 0 DGAAMP Cc1cc(C)n(CC2(C[NH2+][C@@H](C)C[NH+]3CCCCCC3)CC2)n1 ZINC001506403995 1186223607 /nfs/dbraw/zinc/22/36/07/1186223607.db2.gz DQCKPCKAHRODAZ-KRWDZBQOSA-N 2 1 318.509 3.134 50 0 DGAAMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1F ZINC001506418574 1186225912 /nfs/dbraw/zinc/22/59/12/1186225912.db2.gz RQEZZVVHSXKRMJ-SWLSCSKDSA-N 2 1 312.379 3.458 50 0 DGAAMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1F ZINC001506418574 1186225917 /nfs/dbraw/zinc/22/59/17/1186225917.db2.gz RQEZZVVHSXKRMJ-SWLSCSKDSA-N 2 1 312.379 3.458 50 0 DGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCOc1cccc2cccnc21 ZINC000823557360 1091694381 /nfs/dbraw/zinc/69/43/81/1091694381.db2.gz NDBOTZKVGMCUMA-OAHLLOKOSA-N 2 1 324.428 3.051 50 0 DGAAMP C[N@H+]1CCCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000823778633 1091699216 /nfs/dbraw/zinc/69/92/16/1091699216.db2.gz JSBAGGUZWPPLGP-GOSISDBHSA-N 2 1 315.461 3.095 50 0 DGAAMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000095448614 185368493 /nfs/dbraw/zinc/36/84/93/185368493.db2.gz JIWPVOXHDVPXNG-ZDUSSCGKSA-N 2 1 300.402 3.015 50 0 DGAAMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000095448614 185368494 /nfs/dbraw/zinc/36/84/94/185368494.db2.gz JIWPVOXHDVPXNG-ZDUSSCGKSA-N 2 1 300.402 3.015 50 0 DGAAMP C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C[C@]1(C)CC[NH+](C)C1 ZINC000072480220 191180575 /nfs/dbraw/zinc/18/05/75/191180575.db2.gz APKFJKRXMGNUEG-HXUWFJFHSA-N 2 1 318.505 3.164 50 0 DGAAMP C[NH+](Cc1ccc(CCC(C)(C)O)cc1)C[C@]1(C)CC[N@H+](C)C1 ZINC000072480220 191180578 /nfs/dbraw/zinc/18/05/78/191180578.db2.gz APKFJKRXMGNUEG-HXUWFJFHSA-N 2 1 318.505 3.164 50 0 DGAAMP C[NH+](Cc1ccc(CCC(C)(C)O)cc1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000072480220 191180581 /nfs/dbraw/zinc/18/05/81/191180581.db2.gz APKFJKRXMGNUEG-HXUWFJFHSA-N 2 1 318.505 3.164 50 0 DGAAMP C[NH+](C)[C@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(F)c1 ZINC000022788540 182335059 /nfs/dbraw/zinc/33/50/59/182335059.db2.gz CVWAIABRYMMUOV-QGZVFWFLSA-N 2 1 321.484 3.327 50 0 DGAAMP CN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000022852356 182338022 /nfs/dbraw/zinc/33/80/22/182338022.db2.gz BXYLGBCKDSZXHF-QGZVFWFLSA-N 2 1 323.912 3.188 50 0 DGAAMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852356 182338023 /nfs/dbraw/zinc/33/80/23/182338023.db2.gz BXYLGBCKDSZXHF-QGZVFWFLSA-N 2 1 323.912 3.188 50 0 DGAAMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852356 182338024 /nfs/dbraw/zinc/33/80/24/182338024.db2.gz BXYLGBCKDSZXHF-QGZVFWFLSA-N 2 1 323.912 3.188 50 0 DGAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccnc2)CC1 ZINC000057844202 184056917 /nfs/dbraw/zinc/05/69/17/184056917.db2.gz XGRULYCFGXTQOZ-UHFFFAOYSA-N 2 1 309.457 3.426 50 0 DGAAMP Cc1cccnc1NCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000065396172 184335053 /nfs/dbraw/zinc/33/50/53/184335053.db2.gz QDEGZAQXSTYFKC-UHFFFAOYSA-N 2 1 324.472 3.056 50 0 DGAAMP Cc1[nH+]ccn1-c1cncc(-c2cccc(OCC[NH+](C)C)c2)c1 ZINC000521398330 257234860 /nfs/dbraw/zinc/23/48/60/257234860.db2.gz OQNWCUDDVHCUDS-UHFFFAOYSA-N 2 1 322.412 3.183 50 0 DGAAMP Cc1[nH+]ccn1CC[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000584900534 400123209 /nfs/dbraw/zinc/12/32/09/400123209.db2.gz BURZDGCSTSVMFM-KRWDZBQOSA-N 2 1 312.461 3.101 50 0 DGAAMP c1c[nH]c(C[N@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000169752317 400759909 /nfs/dbraw/zinc/75/99/09/400759909.db2.gz LNZGSYBLMWZGKY-IBGZPJMESA-N 2 1 324.472 3.144 50 0 DGAAMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)nc(C)[nH+]1 ZINC000623406617 401509149 /nfs/dbraw/zinc/50/91/49/401509149.db2.gz DVBFJYNZYCNQLV-NBMRYCAZSA-N 2 1 314.477 3.086 50 0 DGAAMP CC(C)n1cc[nH+]c1C1CCN(C[C@@H](C)[NH+]2CCCC2)CC1 ZINC000244787516 276085755 /nfs/dbraw/zinc/08/57/55/276085755.db2.gz PYLMJTMMLWIIDM-MRXNPFEDSA-N 2 1 304.482 3.128 50 0 DGAAMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(OCC)c1C ZINC000097743378 431974160 /nfs/dbraw/zinc/97/41/60/431974160.db2.gz HGYCAZAALWLHOZ-MRXNPFEDSA-N 2 1 306.450 3.106 50 0 DGAAMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(OCC)c1C ZINC000097743378 431974162 /nfs/dbraw/zinc/97/41/62/431974162.db2.gz HGYCAZAALWLHOZ-MRXNPFEDSA-N 2 1 306.450 3.106 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000095980660 431930555 /nfs/dbraw/zinc/93/05/55/431930555.db2.gz LUPJVCDTCUGHGJ-KSSFIOAISA-N 2 1 310.445 3.277 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000095980660 431930557 /nfs/dbraw/zinc/93/05/57/431930557.db2.gz LUPJVCDTCUGHGJ-KSSFIOAISA-N 2 1 310.445 3.277 50 0 DGAAMP c1ncc(CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559943 432627911 /nfs/dbraw/zinc/62/79/11/432627911.db2.gz DBWMNLQTOBNVCP-SZMVWBNQSA-N 2 1 313.470 3.143 50 0 DGAAMP c1ncc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559943 432627915 /nfs/dbraw/zinc/62/79/15/432627915.db2.gz DBWMNLQTOBNVCP-SZMVWBNQSA-N 2 1 313.470 3.143 50 0 DGAAMP c1ncc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559943 432627921 /nfs/dbraw/zinc/62/79/21/432627921.db2.gz DBWMNLQTOBNVCP-SZMVWBNQSA-N 2 1 313.470 3.143 50 0 DGAAMP C[C@H](c1ccc(C[N@@H+](C)CCC2(O)CCCC2)cc1)[NH+](C)C ZINC000216353312 432650691 /nfs/dbraw/zinc/65/06/91/432650691.db2.gz UVKITCUTIORQSD-MRXNPFEDSA-N 2 1 304.478 3.436 50 0 DGAAMP C[N@@H+](CCc1nc2cc(Cl)ccc2[nH]1)CC[C@H]1CCC[NH+]1C ZINC000243892739 432819793 /nfs/dbraw/zinc/81/97/93/432819793.db2.gz AKHYXFURKVVMET-CQSZACIVSA-N 2 1 320.868 3.175 50 0 DGAAMP C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)CC[C@H]1CCC[NH+]1C ZINC000243892739 432819794 /nfs/dbraw/zinc/81/97/94/432819794.db2.gz AKHYXFURKVVMET-CQSZACIVSA-N 2 1 320.868 3.175 50 0 DGAAMP C[NH+](CCc1nc2cc(Cl)ccc2[nH]1)CC[C@H]1CCC[N@@H+]1C ZINC000243892739 432819796 /nfs/dbraw/zinc/81/97/96/432819796.db2.gz AKHYXFURKVVMET-CQSZACIVSA-N 2 1 320.868 3.175 50 0 DGAAMP C[NH+](CCc1nc2cc(Cl)ccc2[nH]1)CC[C@H]1CCC[N@H+]1C ZINC000243892739 432819799 /nfs/dbraw/zinc/81/97/99/432819799.db2.gz AKHYXFURKVVMET-CQSZACIVSA-N 2 1 320.868 3.175 50 0 DGAAMP CCCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1C ZINC000241316663 432815631 /nfs/dbraw/zinc/81/56/31/432815631.db2.gz LTWQWLLWMVYUCR-RDTXWAMCSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1C ZINC000241316663 432815634 /nfs/dbraw/zinc/81/56/34/432815634.db2.gz LTWQWLLWMVYUCR-RDTXWAMCSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1C ZINC000241316663 432815638 /nfs/dbraw/zinc/81/56/38/432815638.db2.gz LTWQWLLWMVYUCR-RDTXWAMCSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1C ZINC000241316663 432815642 /nfs/dbraw/zinc/81/56/42/432815642.db2.gz LTWQWLLWMVYUCR-RDTXWAMCSA-N 2 1 306.498 3.072 50 0 DGAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000534574469 334287500 /nfs/dbraw/zinc/28/75/00/334287500.db2.gz JPMRLILEZYYSAG-CYBMUJFWSA-N 2 1 318.490 3.138 50 0 DGAAMP C(=C\c1ccccc1)\C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000098009391 657724818 /nfs/dbraw/zinc/72/48/18/657724818.db2.gz IYFSZQRTJSBNPJ-DAXSKMNVSA-N 2 1 321.468 3.392 50 0 DGAAMP COc1c(C)cnc(CN(C)CC[N@H+]2CCCC[C@@H]2C)c1C ZINC001529091684 1187531281 /nfs/dbraw/zinc/53/12/81/1187531281.db2.gz PCUGZIAFJGXWHS-HNNXBMFYSA-N 2 1 305.466 3.013 50 0 DGAAMP COc1c(C)c[nH+]c(CN(C)CC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001529091684 1187531283 /nfs/dbraw/zinc/53/12/83/1187531283.db2.gz PCUGZIAFJGXWHS-HNNXBMFYSA-N 2 1 305.466 3.013 50 0 DGAAMP COc1c(C)c[nH+]c(CN(C)CC[N@H+]2CCCC[C@@H]2C)c1C ZINC001529091684 1187531284 /nfs/dbraw/zinc/53/12/84/1187531284.db2.gz PCUGZIAFJGXWHS-HNNXBMFYSA-N 2 1 305.466 3.013 50 0 DGAAMP c1cn(Cc2ccncc2)c([C@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000095499910 185374629 /nfs/dbraw/zinc/37/46/29/185374629.db2.gz DRCALIYZRDNVCQ-KRWDZBQOSA-N 2 1 319.412 3.105 50 0 DGAAMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C)c2)CC1)CC(C)C ZINC000095459570 185370725 /nfs/dbraw/zinc/37/07/25/185370725.db2.gz CYBNZUQBSAKDDS-UHFFFAOYSA-N 2 1 306.498 3.000 50 0 DGAAMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)Oc1cccc(Cl)c1 ZINC000020166342 182193966 /nfs/dbraw/zinc/19/39/66/182193966.db2.gz CAGLFXSIGWXOJO-CQSZACIVSA-N 2 1 310.869 3.381 50 0 DGAAMP COC[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CC12CC[NH2+]CC2 ZINC000169789819 400761719 /nfs/dbraw/zinc/76/17/19/400761719.db2.gz KLZJHPGPTXYFNV-LJQANCHMSA-N 2 1 316.489 3.258 50 0 DGAAMP Cc1cccc(C[NH+]2CCC([NH2+]C[C@H]3CCC=CO3)CC2)c1 ZINC000252482638 401094579 /nfs/dbraw/zinc/09/45/79/401094579.db2.gz DLMIIRSIVIZMFX-LJQANCHMSA-N 2 1 300.446 3.242 50 0 DGAAMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)nc(C)[nH+]1 ZINC000623406616 401508979 /nfs/dbraw/zinc/50/89/79/401508979.db2.gz DVBFJYNZYCNQLV-MGHWNKPDSA-N 2 1 314.477 3.086 50 0 DGAAMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)C2)nc(C)[nH+]1 ZINC000623406618 401509126 /nfs/dbraw/zinc/50/91/26/401509126.db2.gz DVBFJYNZYCNQLV-QCSYZSNVSA-N 2 1 314.477 3.086 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000096476533 431952686 /nfs/dbraw/zinc/95/26/86/431952686.db2.gz NXUZUQOZHLISES-DYVFJYSZSA-N 2 1 311.385 3.158 50 0 DGAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000252499259 432379442 /nfs/dbraw/zinc/37/94/42/432379442.db2.gz RXXZBGSZKHUWKQ-SFHVURJKSA-N 2 1 302.462 3.009 50 0 DGAAMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000163458674 432853318 /nfs/dbraw/zinc/85/33/18/432853318.db2.gz CPFZBVXJBWDCCL-PWSUYJOCSA-N 2 1 304.331 3.417 50 0 DGAAMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000163458674 432853320 /nfs/dbraw/zinc/85/33/20/432853320.db2.gz CPFZBVXJBWDCCL-PWSUYJOCSA-N 2 1 304.331 3.417 50 0 DGAAMP CCCn1nc(C)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000097102380 323210309 /nfs/dbraw/zinc/21/03/09/323210309.db2.gz LZIALJWAACKCNJ-UHFFFAOYSA-N 2 1 306.498 3.309 50 0 DGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000952972327 662209204 /nfs/dbraw/zinc/20/92/04/662209204.db2.gz SIDZIQOIDJUBCT-GOSISDBHSA-N 2 1 315.465 3.414 50 0 DGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000952972327 662209206 /nfs/dbraw/zinc/20/92/06/662209206.db2.gz SIDZIQOIDJUBCT-GOSISDBHSA-N 2 1 315.465 3.414 50 0 DGAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1cc2c(cc1OC)CCC2 ZINC000952973890 662209412 /nfs/dbraw/zinc/20/94/12/662209412.db2.gz SFYNCUCJJWWUNP-UHFFFAOYSA-N 2 1 313.445 3.123 50 0 DGAAMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000952973983 662209416 /nfs/dbraw/zinc/20/94/16/662209416.db2.gz ADHJWWCKBWZQGH-IBGZPJMESA-N 2 1 312.461 3.425 50 0 DGAAMP C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C[C@@]1(C)CC[NH+](C)C1 ZINC000072480219 191180534 /nfs/dbraw/zinc/18/05/34/191180534.db2.gz APKFJKRXMGNUEG-FQEVSTJZSA-N 2 1 318.505 3.164 50 0 DGAAMP C[NH+](Cc1ccc(CCC(C)(C)O)cc1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000072480219 191180536 /nfs/dbraw/zinc/18/05/36/191180536.db2.gz APKFJKRXMGNUEG-FQEVSTJZSA-N 2 1 318.505 3.164 50 0 DGAAMP C[NH+](Cc1ccc(CCC(C)(C)O)cc1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000072480219 191180539 /nfs/dbraw/zinc/18/05/39/191180539.db2.gz APKFJKRXMGNUEG-FQEVSTJZSA-N 2 1 318.505 3.164 50 0 DGAAMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cncn2C)cc1 ZINC000237526087 202271674 /nfs/dbraw/zinc/27/16/74/202271674.db2.gz BPCQHYSUOUFJAZ-INIZCTEOSA-N 2 1 312.461 3.084 50 0 DGAAMP CCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)[nH]1 ZINC000065422959 184341898 /nfs/dbraw/zinc/34/18/98/184341898.db2.gz HHIIWTSRRHOYSQ-MRXNPFEDSA-N 2 1 315.465 3.230 50 0 DGAAMP CCc1nc(C)c(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)[nH]1 ZINC000065422959 184341900 /nfs/dbraw/zinc/34/19/00/184341900.db2.gz HHIIWTSRRHOYSQ-MRXNPFEDSA-N 2 1 315.465 3.230 50 0 DGAAMP Cc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)on1 ZINC000069663793 431208454 /nfs/dbraw/zinc/20/84/54/431208454.db2.gz AWBQCGFPWPGIFW-UHFFFAOYSA-N 2 1 313.445 3.327 50 0 DGAAMP CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C[NH+](C)C)cs1 ZINC000077338980 431585495 /nfs/dbraw/zinc/58/54/95/431585495.db2.gz SFOBXSBMLZOWNP-OAHLLOKOSA-N 2 1 324.490 3.117 50 0 DGAAMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097492475 431971072 /nfs/dbraw/zinc/97/10/72/431971072.db2.gz ZZHUFWUKYYSCIQ-SFHVURJKSA-N 2 1 301.409 3.191 50 0 DGAAMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097492475 431971073 /nfs/dbraw/zinc/97/10/73/431971073.db2.gz ZZHUFWUKYYSCIQ-SFHVURJKSA-N 2 1 301.409 3.191 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000095980661 431930381 /nfs/dbraw/zinc/93/03/81/431930381.db2.gz LUPJVCDTCUGHGJ-RDTXWAMCSA-N 2 1 310.445 3.277 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000095980661 431930384 /nfs/dbraw/zinc/93/03/84/431930384.db2.gz LUPJVCDTCUGHGJ-RDTXWAMCSA-N 2 1 310.445 3.277 50 0 DGAAMP c1cncc(CCC[NH+]2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000244795990 432824385 /nfs/dbraw/zinc/82/43/85/432824385.db2.gz RQVYEQWSSQUUJR-UHFFFAOYSA-N 2 1 301.478 3.355 50 0 DGAAMP Cn1c(C[N@H+](C)C[C@]2(C)CC[NH+](C)C2)cc2cc(F)ccc21 ZINC000215007158 546260070 /nfs/dbraw/zinc/26/00/70/546260070.db2.gz YJJIAAOOUHWFLV-GOSISDBHSA-N 2 1 303.425 3.091 50 0 DGAAMP Cn1c(C[N@@H+](C)C[C@]2(C)CC[NH+](C)C2)cc2cc(F)ccc21 ZINC000215007158 546260072 /nfs/dbraw/zinc/26/00/72/546260072.db2.gz YJJIAAOOUHWFLV-GOSISDBHSA-N 2 1 303.425 3.091 50 0 DGAAMP Cn1c(C[NH+](C)C[C@]2(C)CC[N@H+](C)C2)cc2cc(F)ccc21 ZINC000215007158 546260077 /nfs/dbraw/zinc/26/00/77/546260077.db2.gz YJJIAAOOUHWFLV-GOSISDBHSA-N 2 1 303.425 3.091 50 0 DGAAMP Cn1c(C[NH+](C)C[C@]2(C)CC[N@@H+](C)C2)cc2cc(F)ccc21 ZINC000215007158 546260080 /nfs/dbraw/zinc/26/00/80/546260080.db2.gz YJJIAAOOUHWFLV-GOSISDBHSA-N 2 1 303.425 3.091 50 0 DGAAMP COCC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000952967207 660445290 /nfs/dbraw/zinc/44/52/90/660445290.db2.gz ZIWVSCPILXVFEU-OAHLLOKOSA-N 2 1 310.869 3.096 50 0 DGAAMP CCc1[nH+]ccn1C[C@H](C)N1CCOc2ccc(Cl)cc2C1 ZINC001506427337 1186226673 /nfs/dbraw/zinc/22/66/73/1186226673.db2.gz VWYJEJCPTDWLNA-ZDUSSCGKSA-N 2 1 319.836 3.382 50 0 DGAAMP CCCn1ncc(C[N@@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)c1C ZINC001704351087 1202522771 /nfs/dbraw/zinc/52/27/71/1202522771.db2.gz NQIUXMNDJASQQW-AMBYYYRHSA-N 2 1 318.509 3.152 50 0 DGAAMP CC(C)=CCC/C(C)=C/C[N@@H+]1CCC[C@](CO)(CN(C)C)C1 ZINC000952867293 1096786994 /nfs/dbraw/zinc/78/69/94/1096786994.db2.gz MCHDVBKXOLDPKI-VBIXMBBUSA-N 2 1 308.510 3.315 50 0 DGAAMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000095419524 185359873 /nfs/dbraw/zinc/35/98/73/185359873.db2.gz VWZLMFVLPZDYEH-LBPRGKRZSA-N 2 1 311.267 3.064 50 0 DGAAMP c1sc(C[NH+]2CC(c3ccccn3)C2)cc1C[NH+]1CCCC1 ZINC000072141588 191050234 /nfs/dbraw/zinc/05/02/34/191050234.db2.gz LJNDXDOHAVDDSY-UHFFFAOYSA-N 2 1 313.470 3.338 50 0 DGAAMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000002933161 180970670 /nfs/dbraw/zinc/97/06/70/180970670.db2.gz NIEQUIUJRFUNNB-UHFFFAOYSA-N 2 1 308.466 3.304 50 0 DGAAMP CN(Cc1ccccc1C[NH+]1CCCC1)c1[nH+]cnc2[nH]ccc21 ZINC000065408933 184339522 /nfs/dbraw/zinc/33/95/22/184339522.db2.gz UBELQTYAQDMUNY-UHFFFAOYSA-N 2 1 321.428 3.190 50 0 DGAAMP c1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCCCCC3)cc2)n1 ZINC000066906070 400129437 /nfs/dbraw/zinc/12/94/37/400129437.db2.gz XSZKJIJBVHILDH-UHFFFAOYSA-N 2 1 312.461 3.466 50 0 DGAAMP Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2nc(C)n3ccccc23)C1 ZINC000072123984 400374776 /nfs/dbraw/zinc/37/47/76/400374776.db2.gz KJGVKMOIEMECNW-QGZVFWFLSA-N 2 1 323.444 3.060 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000090775394 276194845 /nfs/dbraw/zinc/19/48/45/276194845.db2.gz BVJNWHFPUQUQPY-AHHOAKBJSA-N 3 1 321.553 3.348 50 0 DGAAMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)CC1 ZINC000090775394 276194846 /nfs/dbraw/zinc/19/48/46/276194846.db2.gz BVJNWHFPUQUQPY-AHHOAKBJSA-N 2 1 321.553 3.348 50 0 DGAAMP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000071819591 431293707 /nfs/dbraw/zinc/29/37/07/431293707.db2.gz IRYVWNWSUMOQGU-OAHLLOKOSA-N 2 1 312.461 3.240 50 0 DGAAMP CC1CC[NH+](C[C@@H](O)C[NH+](C2CCCC2)C2CCCC2)CC1 ZINC000089929962 431886705 /nfs/dbraw/zinc/88/67/05/431886705.db2.gz PKWLYHBVDBYZDY-LJQANCHMSA-N 2 1 308.510 3.266 50 0 DGAAMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000096479049 431952733 /nfs/dbraw/zinc/95/27/33/431952733.db2.gz BVSOUDSQZHHPBC-QAPCUYQASA-N 2 1 304.503 3.382 50 0 DGAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000096479049 431952734 /nfs/dbraw/zinc/95/27/34/431952734.db2.gz BVSOUDSQZHHPBC-QAPCUYQASA-N 2 1 304.503 3.382 50 0 DGAAMP C[N@@H+](CCn1cccn1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000215715851 432645170 /nfs/dbraw/zinc/64/51/70/432645170.db2.gz FAZKFPLMHAHSHL-UHFFFAOYSA-N 2 1 318.490 3.063 50 0 DGAAMP C[NH+](C)CCOc1ccccc1C[N@@H+](C)[C@H]1CCOC(C)(C)C1 ZINC000216284314 432649583 /nfs/dbraw/zinc/64/95/83/432649583.db2.gz LNYWMBGQPOCFAT-KRWDZBQOSA-N 2 1 320.477 3.016 50 0 DGAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cc2cc(F)ccc2n1C ZINC000216341710 432650411 /nfs/dbraw/zinc/65/04/11/432650411.db2.gz CCKHLIWXXIRQNX-UHFFFAOYSA-N 2 1 314.408 3.116 50 0 DGAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2cc(F)ccc2n1C ZINC000216341710 432650416 /nfs/dbraw/zinc/65/04/16/432650416.db2.gz CCKHLIWXXIRQNX-UHFFFAOYSA-N 2 1 314.408 3.116 50 0 DGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC000244685556 432822258 /nfs/dbraw/zinc/82/22/58/432822258.db2.gz ISGNZFQMCNUICL-KRWDZBQOSA-N 2 1 317.477 3.107 50 0 DGAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nc2ccccc2s1 ZINC000534652454 334312662 /nfs/dbraw/zinc/31/26/62/334312662.db2.gz TUUFVAPUDZVGOL-LBPRGKRZSA-N 2 1 300.431 3.022 50 0 DGAAMP CCN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000022919130 655773201 /nfs/dbraw/zinc/77/32/01/655773201.db2.gz VFJPLLHJTYCBAK-IBGZPJMESA-N 2 1 321.553 3.449 50 0 DGAAMP Cc1[nH+]ccn1CCCN1CCOc2ccc(Cl)cc2C1 ZINC001506401158 1186221369 /nfs/dbraw/zinc/22/13/69/1186221369.db2.gz IGRWKBJTMGPGCV-UHFFFAOYSA-N 2 1 305.809 3.130 50 0 DGAAMP CC[C@@H]1CN(Cc2cc(C[NH+](C)C)cs2)CC[N@H+]1C(C)C ZINC000072166122 191065696 /nfs/dbraw/zinc/06/56/96/191065696.db2.gz RYDFQPFWVPLKNT-MRXNPFEDSA-N 2 1 309.523 3.114 50 0 DGAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072473570 191176290 /nfs/dbraw/zinc/17/62/90/191176290.db2.gz OXBNYMVRSXFGDO-LJQANCHMSA-N 2 1 318.505 3.306 50 0 DGAAMP CCCc1cc(C[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067856576 432043863 /nfs/dbraw/zinc/04/38/63/432043863.db2.gz KCHMIKJIAWDXQX-UHFFFAOYSA-N 2 1 304.482 3.106 50 0 DGAAMP CCCc1cc(C[N@H+](C)C2CCC3(CC[NH2+]CC3)CC2)n[nH]1 ZINC000067856576 432043864 /nfs/dbraw/zinc/04/38/64/432043864.db2.gz KCHMIKJIAWDXQX-UHFFFAOYSA-N 2 1 304.482 3.106 50 0 DGAAMP CC(C)(C)c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067872251 432045727 /nfs/dbraw/zinc/04/57/27/432045727.db2.gz FBRKNELMCFHXBR-UHFFFAOYSA-N 2 1 304.482 3.063 50 0 DGAAMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000067935222 432046865 /nfs/dbraw/zinc/04/68/65/432046865.db2.gz ZMFIXAJKHLZKQC-UHFFFAOYSA-N 2 1 312.461 3.383 50 0 DGAAMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000067935222 432046870 /nfs/dbraw/zinc/04/68/70/432046870.db2.gz ZMFIXAJKHLZKQC-UHFFFAOYSA-N 2 1 312.461 3.383 50 0 DGAAMP C[NH+](C)C1(C[NH2+]C2CCN(c3ccccc3)CC2)CCCC1 ZINC000268708063 432122455 /nfs/dbraw/zinc/12/24/55/432122455.db2.gz CMEGZWXWRUWZLG-UHFFFAOYSA-N 2 1 301.478 3.119 50 0 DGAAMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000245338980 401005011 /nfs/dbraw/zinc/00/50/11/401005011.db2.gz PTNWHLDIWJUVMX-HNJRGHQBSA-N 2 1 316.489 3.444 50 0 DGAAMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000108318631 431131913 /nfs/dbraw/zinc/13/19/13/431131913.db2.gz KYBHLOCEZHPNIJ-SFHVURJKSA-N 2 1 322.456 3.187 50 0 DGAAMP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000071819590 431292431 /nfs/dbraw/zinc/29/24/31/431292431.db2.gz IRYVWNWSUMOQGU-HNNXBMFYSA-N 2 1 312.461 3.240 50 0 DGAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000071819611 431293728 /nfs/dbraw/zinc/29/37/28/431293728.db2.gz CEZHOGHKTCCWLH-CYBMUJFWSA-N 2 1 318.852 3.162 50 0 DGAAMP Cc1c(C)n(CC[NH+](C)C)c2[nH+]c3c(c(N)c12)CCCCC3 ZINC000012321378 431500814 /nfs/dbraw/zinc/50/08/14/431500814.db2.gz JLJYOGBNUFXZLG-UHFFFAOYSA-N 2 1 300.450 3.066 50 0 DGAAMP CC(C)[NH+]1CCC(C[N@@H+](Cc2ccccc2)C[C@H](C)CO)CC1 ZINC000055042178 431975567 /nfs/dbraw/zinc/97/55/67/431975567.db2.gz HCUCHJVUPADZCG-SFHVURJKSA-N 2 1 318.505 3.237 50 0 DGAAMP COc1ccc(CNCc2ccc(-n3ccnc3)cc2)c(OC)c1 ZINC000048776792 431932514 /nfs/dbraw/zinc/93/25/14/431932514.db2.gz XAONDCGCBVQLNM-UHFFFAOYSA-N 2 1 323.396 3.179 50 0 DGAAMP CC(C)OCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000096484317 431952993 /nfs/dbraw/zinc/95/29/93/431952993.db2.gz DTCALUWAVCLCQH-RTBURBONSA-N 2 1 302.462 3.328 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000096476536 431953168 /nfs/dbraw/zinc/95/31/68/431953168.db2.gz NXUZUQOZHLISES-CXAGYDPISA-N 2 1 311.385 3.158 50 0 DGAAMP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000096493323 431953885 /nfs/dbraw/zinc/95/38/85/431953885.db2.gz PTNWHLDIWJUVMX-LMMKCTJWSA-N 2 1 316.489 3.444 50 0 DGAAMP CCc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)nc1 ZINC000063844250 685052539 /nfs/dbraw/zinc/05/25/39/685052539.db2.gz GKMYYKROVLPMFG-PKOBYXMFSA-N 2 1 301.478 3.340 50 0 DGAAMP CCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)nc1 ZINC000063844250 685052546 /nfs/dbraw/zinc/05/25/46/685052546.db2.gz GKMYYKROVLPMFG-PKOBYXMFSA-N 2 1 301.478 3.340 50 0 DGAAMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000063844250 685052553 /nfs/dbraw/zinc/05/25/53/685052553.db2.gz GKMYYKROVLPMFG-PKOBYXMFSA-N 2 1 301.478 3.340 50 0 DGAAMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000063844250 685052559 /nfs/dbraw/zinc/05/25/59/685052559.db2.gz GKMYYKROVLPMFG-PKOBYXMFSA-N 2 1 301.478 3.340 50 0 DGAAMP COc1ccc(F)cc1C[N@@H+](C)[C@H]1C[C@H]2C[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001704298810 1202519311 /nfs/dbraw/zinc/51/93/11/1202519311.db2.gz DSMWTNSMTCFYLU-MHGIMSBQSA-N 2 1 320.452 3.385 50 0 DGAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CC2)CC1 ZINC000675012968 1083446384 /nfs/dbraw/zinc/44/63/84/1083446384.db2.gz VVVBDXRBBKEFKV-IBGZPJMESA-N 2 1 316.493 3.087 50 0 DGAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CC2)CC1 ZINC000675012968 1083446386 /nfs/dbraw/zinc/44/63/86/1083446386.db2.gz VVVBDXRBBKEFKV-IBGZPJMESA-N 2 1 316.493 3.087 50 0 DGAAMP CCn1cc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)c(C)n1 ZINC000575548677 1086959361 /nfs/dbraw/zinc/95/93/61/1086959361.db2.gz IQGSMLKYUXFJOG-KRWDZBQOSA-N 2 1 313.449 3.041 50 0 DGAAMP CC[NH+]1CCC(N2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000823107069 1091683069 /nfs/dbraw/zinc/68/30/69/1091683069.db2.gz QQVGELLQLZETJZ-PMACEKPBSA-N 2 1 319.537 3.200 50 0 DGAAMP CCn1cc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)c(C)n1 ZINC000575548691 1092046954 /nfs/dbraw/zinc/04/69/54/1092046954.db2.gz IQGSMLKYUXFJOG-QGZVFWFLSA-N 2 1 313.449 3.041 50 0 DGAAMP c1c(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)nn2c1C[NH2+]CCC2 ZINC000072152343 191057903 /nfs/dbraw/zinc/05/79/03/191057903.db2.gz VYDSFVRLDBPWPJ-GOSISDBHSA-N 2 1 324.472 3.146 50 0 DGAAMP CCCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1C ZINC000093638679 193278816 /nfs/dbraw/zinc/27/88/16/193278816.db2.gz LTWQWLLWMVYUCR-KBXCAEBGSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1C ZINC000093638679 193278819 /nfs/dbraw/zinc/27/88/19/193278819.db2.gz LTWQWLLWMVYUCR-KBXCAEBGSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1C ZINC000093638679 193278820 /nfs/dbraw/zinc/27/88/20/193278820.db2.gz LTWQWLLWMVYUCR-KBXCAEBGSA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1C ZINC000093638679 193278823 /nfs/dbraw/zinc/27/88/23/193278823.db2.gz LTWQWLLWMVYUCR-KBXCAEBGSA-N 2 1 306.498 3.072 50 0 DGAAMP C[NH+](C)[C@@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(F)c1 ZINC000022788534 182335352 /nfs/dbraw/zinc/33/53/52/182335352.db2.gz CVWAIABRYMMUOV-KRWDZBQOSA-N 2 1 321.484 3.327 50 0 DGAAMP CN(C)C[C@]1(O)CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000216491714 257273236 /nfs/dbraw/zinc/27/32/36/257273236.db2.gz OQPCGUZSCDNXKK-HXUWFJFHSA-N 2 1 324.424 3.084 50 0 DGAAMP C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000216491714 257273239 /nfs/dbraw/zinc/27/32/39/257273239.db2.gz OQPCGUZSCDNXKK-HXUWFJFHSA-N 2 1 324.424 3.084 50 0 DGAAMP Cc1nccn1C[C@H]1CCC[N@@H+](Cc2nc(C)n3ccccc23)C1 ZINC000072123985 400374555 /nfs/dbraw/zinc/37/45/55/400374555.db2.gz KJGVKMOIEMECNW-KRWDZBQOSA-N 2 1 323.444 3.060 50 0 DGAAMP Cc1cc(Cl)cc2c(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)cc[nH+]c12 ZINC000095353308 274698754 /nfs/dbraw/zinc/69/87/54/274698754.db2.gz FERIDWMWXYHNJJ-CABCVRRESA-N 2 1 301.821 3.370 50 0 DGAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000071819612 431292491 /nfs/dbraw/zinc/29/24/91/431292491.db2.gz CEZHOGHKTCCWLH-ZDUSSCGKSA-N 2 1 318.852 3.162 50 0 DGAAMP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000071819593 431293368 /nfs/dbraw/zinc/29/33/68/431293368.db2.gz DJRVQTGRQLOAPG-OAHLLOKOSA-N 2 1 312.461 3.382 50 0 DGAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000072162379 431332275 /nfs/dbraw/zinc/33/22/75/431332275.db2.gz LLUFWWCCYODJOB-NRFANRHFSA-N 2 1 324.468 3.242 50 0 DGAAMP CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-n2ccnc2)cc1 ZINC000072411588 431335853 /nfs/dbraw/zinc/33/58/53/431335853.db2.gz WPYOVHSNSOTOMR-IBGZPJMESA-N 2 1 321.428 3.343 50 0 DGAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC000011661667 431478238 /nfs/dbraw/zinc/47/82/38/431478238.db2.gz BTWQPGQIUJNHFZ-FQEVSTJZSA-N 2 1 316.489 3.054 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](CCCc3ccccc3)C2)C1 ZINC000011661667 431478246 /nfs/dbraw/zinc/47/82/46/431478246.db2.gz BTWQPGQIUJNHFZ-FQEVSTJZSA-N 2 1 316.489 3.054 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000011661667 431478253 /nfs/dbraw/zinc/47/82/53/431478253.db2.gz BTWQPGQIUJNHFZ-FQEVSTJZSA-N 2 1 316.489 3.054 50 0 DGAAMP Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000078394261 431662930 /nfs/dbraw/zinc/66/29/30/431662930.db2.gz UALOUTALCSCHOB-UHFFFAOYSA-N 2 1 309.457 3.187 50 0 DGAAMP CCc1[nH+]ccn1CCC[NH2+]CC[C@H](C)CCCC(C)(C)O ZINC000032537329 431783062 /nfs/dbraw/zinc/78/30/62/431783062.db2.gz QORSAQWPOBECGU-MRXNPFEDSA-N 2 1 309.498 3.393 50 0 DGAAMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000095423167 431925085 /nfs/dbraw/zinc/92/50/85/431925085.db2.gz NSWKLQACMZSEDR-CYBMUJFWSA-N 2 1 301.390 3.051 50 0 DGAAMP Oc1ccccc1CCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055310569 431979444 /nfs/dbraw/zinc/97/94/44/431979444.db2.gz KCBRBWMIWNKKFN-ZWKOTPCHSA-N 2 1 302.462 3.179 50 0 DGAAMP Oc1cccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000096403995 431945531 /nfs/dbraw/zinc/94/55/31/431945531.db2.gz UCKJKCLYGRTODY-LJQANCHMSA-N 2 1 310.441 3.046 50 0 DGAAMP Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000096403995 431945534 /nfs/dbraw/zinc/94/55/34/431945534.db2.gz UCKJKCLYGRTODY-LJQANCHMSA-N 2 1 310.441 3.046 50 0 DGAAMP Cn1cc(C[NH2+][C@@H]2CC[C@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000097106909 431961292 /nfs/dbraw/zinc/96/12/92/431961292.db2.gz FNVGDSFFIAXCEL-SJORKVTESA-N 2 1 304.482 3.040 50 0 DGAAMP Cc1ncc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000097200547 431963912 /nfs/dbraw/zinc/96/39/12/431963912.db2.gz VJVVNOGXZIPLJK-AWEZNQCLSA-N 2 1 302.447 3.089 50 0 DGAAMP Cc1ncc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)s1 ZINC000097200810 431964255 /nfs/dbraw/zinc/96/42/55/431964255.db2.gz UNYVGTDKUPXPCX-CQSZACIVSA-N 2 1 302.447 3.089 50 0 DGAAMP CC[NH+]1CCC2(CC1)C[N@H+](C1CCC1)Cc1ccccc1O2 ZINC000257186873 432416823 /nfs/dbraw/zinc/41/68/23/432416823.db2.gz KVWYPDKZUBZBFG-UHFFFAOYSA-N 2 1 300.446 3.288 50 0 DGAAMP COc1cc(C)c(C[N@@H+](C)CCn2ccnc2)cc1C(C)C ZINC000216110528 432647696 /nfs/dbraw/zinc/64/76/96/432647696.db2.gz HNMDAVQQEUKKIR-UHFFFAOYSA-N 2 1 301.434 3.456 50 0 DGAAMP COc1ccc2oc(C[N@H+]3CCC[C@H]3Cn3ccnc3)cc2c1 ZINC000195573501 432628620 /nfs/dbraw/zinc/62/86/20/432628620.db2.gz NLLGOAZKRSPCDJ-HNNXBMFYSA-N 2 1 311.385 3.303 50 0 DGAAMP CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216145030 432646356 /nfs/dbraw/zinc/64/63/56/432646356.db2.gz USHMPCMXNMFCLK-UHFFFAOYSA-N 2 1 312.461 3.285 50 0 DGAAMP CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2c(c1)CN(C)C2 ZINC000216145030 432646359 /nfs/dbraw/zinc/64/63/59/432646359.db2.gz USHMPCMXNMFCLK-UHFFFAOYSA-N 2 1 312.461 3.285 50 0 DGAAMP c1ccc2c(c1)CC[N@H+](Cc1cccc(OC3CC[NH2+]CC3)c1)C2 ZINC000299792606 433388181 /nfs/dbraw/zinc/38/81/81/433388181.db2.gz FGQFSQZTCZKBCP-UHFFFAOYSA-N 2 1 322.452 3.376 50 0 DGAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073756 660495244 /nfs/dbraw/zinc/49/52/44/660495244.db2.gz WQNJPFGVFFUXFW-UMEYKSNOSA-N 2 1 318.461 3.117 50 0 DGAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073756 660495247 /nfs/dbraw/zinc/49/52/47/660495247.db2.gz WQNJPFGVFFUXFW-UMEYKSNOSA-N 2 1 318.461 3.117 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073756 660495251 /nfs/dbraw/zinc/49/52/51/660495251.db2.gz WQNJPFGVFFUXFW-UMEYKSNOSA-N 2 1 318.461 3.117 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073756 660495253 /nfs/dbraw/zinc/49/52/53/660495253.db2.gz WQNJPFGVFFUXFW-UMEYKSNOSA-N 2 1 318.461 3.117 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000090454409 185297260 /nfs/dbraw/zinc/29/72/60/185297260.db2.gz LUZUOVSQVPIZKZ-CXAGYDPISA-N 2 1 321.428 3.112 50 0 DGAAMP C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc(CC[NH3+])cc1 ZINC000072474938 191176986 /nfs/dbraw/zinc/17/69/86/191176986.db2.gz CWLDRNNNUKIHPE-UHFFFAOYSA-N 2 1 321.424 3.475 50 0 DGAAMP CCc1nc(C)c(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)[nH]1 ZINC000067713572 432035379 /nfs/dbraw/zinc/03/53/79/432035379.db2.gz HHIIWTSRRHOYSQ-INIZCTEOSA-N 2 1 315.465 3.230 50 0 DGAAMP CCc1nc(C)c(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)[nH]1 ZINC000067713572 432035382 /nfs/dbraw/zinc/03/53/82/432035382.db2.gz HHIIWTSRRHOYSQ-INIZCTEOSA-N 2 1 315.465 3.230 50 0 DGAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000067789066 432040916 /nfs/dbraw/zinc/04/09/16/432040916.db2.gz KIBPKGNJISBPOR-CQSZACIVSA-N 2 1 311.433 3.253 50 0 DGAAMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000163831972 432042979 /nfs/dbraw/zinc/04/29/79/432042979.db2.gz NFQDMUWPNNUQSK-QGZVFWFLSA-N 2 1 310.441 3.370 50 0 DGAAMP COCC[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CC2)CC1 ZINC000097228461 400283428 /nfs/dbraw/zinc/28/34/28/400283428.db2.gz ZSSJRBBUCCQAAF-UHFFFAOYSA-N 2 1 322.880 3.072 50 0 DGAAMP Cc1ccccc1N1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)C1 ZINC000244840256 432823147 /nfs/dbraw/zinc/82/31/47/432823147.db2.gz UJXHNGYTTLFWCK-OKZBNKHCSA-N 2 1 301.478 3.023 50 0 DGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000214952676 546261190 /nfs/dbraw/zinc/26/11/90/546261190.db2.gz YZDIBIXCLGFYFD-MRXNPFEDSA-N 2 1 303.406 3.158 50 0 DGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000214952676 546261197 /nfs/dbraw/zinc/26/11/97/546261197.db2.gz YZDIBIXCLGFYFD-MRXNPFEDSA-N 2 1 303.406 3.158 50 0 DGAAMP CC[C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCN1C(C)C ZINC000952970859 662209572 /nfs/dbraw/zinc/20/95/72/662209572.db2.gz FUAAKWNNKQNBHP-QGZVFWFLSA-N 2 1 307.526 3.103 50 0 DGAAMP Cc1cc(F)ccc1N1CCC([NH2+]CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001506418936 1186225434 /nfs/dbraw/zinc/22/54/34/1186225434.db2.gz KTMRIHYYNRKDBX-GOSISDBHSA-N 2 1 319.468 3.177 50 0 DGAAMP CCCCCc1nc([C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2[NH3+])n(-c2cc[nH+]cc2)n1 ZINC000822859175 1091673378 /nfs/dbraw/zinc/67/33/78/1091673378.db2.gz YVTLLXGHYSGCCN-NONVJHHQSA-N 2 1 323.444 3.012 50 0 DGAAMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3cccnc3)C2)CC1 ZINC000172809457 198151794 /nfs/dbraw/zinc/15/17/94/198151794.db2.gz XYRCLVTWECRHIY-IBGZPJMESA-N 2 1 301.478 3.068 50 0 DGAAMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3cccnc3)C2)CC1 ZINC000172809457 198151795 /nfs/dbraw/zinc/15/17/95/198151795.db2.gz XYRCLVTWECRHIY-IBGZPJMESA-N 2 1 301.478 3.068 50 0 DGAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000065397054 184335944 /nfs/dbraw/zinc/33/59/44/184335944.db2.gz LWWVPHGHGAJRQL-UHFFFAOYSA-N 2 1 303.409 3.438 50 0 DGAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000584900535 400123158 /nfs/dbraw/zinc/12/31/58/400123158.db2.gz BURZDGCSTSVMFM-QGZVFWFLSA-N 2 1 312.461 3.101 50 0 DGAAMP C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014953301 431597472 /nfs/dbraw/zinc/59/74/72/431597472.db2.gz GZMIHZPOQSURDU-SFHVURJKSA-N 2 1 320.452 3.149 50 0 DGAAMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000019111001 431618714 /nfs/dbraw/zinc/61/87/14/431618714.db2.gz RHUHINFRANQJKD-SFHVURJKSA-N 2 1 315.505 3.319 50 0 DGAAMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000096478990 431952628 /nfs/dbraw/zinc/95/26/28/431952628.db2.gz PCDJULUULMYVNJ-HXUWFJFHSA-N 2 1 316.489 3.023 50 0 DGAAMP CCC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252511435 432381890 /nfs/dbraw/zinc/38/18/90/432381890.db2.gz GSTCHJFEQQCRMS-WBAXXEDZSA-N 2 1 315.461 3.313 50 0 DGAAMP Cc1cc(-c2ccccc2)nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000244605532 432822053 /nfs/dbraw/zinc/82/20/53/432822053.db2.gz FAGOZOPXWXSGDF-UHFFFAOYSA-N 2 1 322.456 3.028 50 0 DGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000214952631 546260893 /nfs/dbraw/zinc/26/08/93/546260893.db2.gz YZDIBIXCLGFYFD-INIZCTEOSA-N 2 1 303.406 3.158 50 0 DGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000214952631 546260895 /nfs/dbraw/zinc/26/08/95/546260895.db2.gz YZDIBIXCLGFYFD-INIZCTEOSA-N 2 1 303.406 3.158 50 0 DGAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468697 660611115 /nfs/dbraw/zinc/61/11/15/660611115.db2.gz XZWBQTYIFOBCPL-HXUWFJFHSA-N 2 1 316.489 3.238 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468697 660611116 /nfs/dbraw/zinc/61/11/16/660611116.db2.gz XZWBQTYIFOBCPL-HXUWFJFHSA-N 2 1 316.489 3.238 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468697 660611117 /nfs/dbraw/zinc/61/11/17/660611117.db2.gz XZWBQTYIFOBCPL-HXUWFJFHSA-N 2 1 316.489 3.238 50 0 DGAAMP CC(=O)Nc1ccc(C[NH2+]CCCn2cc[nH+]c2C(C)C)cc1 ZINC000952971121 662209394 /nfs/dbraw/zinc/20/93/94/662209394.db2.gz CKUGZALLNJNYGS-UHFFFAOYSA-N 2 1 314.433 3.145 50 0 DGAAMP Cc1[nH+]cn(CC[NH2+]Cc2c[nH]nc2-c2cc(C)ccc2C)c1C ZINC000952983135 662210348 /nfs/dbraw/zinc/21/03/48/662210348.db2.gz UZAMHPZFRDLQQT-UHFFFAOYSA-N 2 1 323.444 3.297 50 0 DGAAMP COc1cc(C[N@@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)ccc1F ZINC001704280177 1202517905 /nfs/dbraw/zinc/51/79/05/1202517905.db2.gz QAMQYSWNWGFORB-WNKDZCFJSA-N 2 1 320.452 3.385 50 0 DGAAMP C[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000095419525 185359856 /nfs/dbraw/zinc/35/98/56/185359856.db2.gz VWZLMFVLPZDYEH-GFCCVEGCSA-N 2 1 311.267 3.064 50 0 DGAAMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000095446901 185367787 /nfs/dbraw/zinc/36/77/87/185367787.db2.gz UECFKMGUVHKAJO-SFHVURJKSA-N 2 1 323.444 3.398 50 0 DGAAMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000095446901 185367788 /nfs/dbraw/zinc/36/77/88/185367788.db2.gz UECFKMGUVHKAJO-SFHVURJKSA-N 2 1 323.444 3.398 50 0 DGAAMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000095448615 185368580 /nfs/dbraw/zinc/36/85/80/185368580.db2.gz JIWPVOXHDVPXNG-CYBMUJFWSA-N 2 1 300.402 3.015 50 0 DGAAMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000095448615 185368581 /nfs/dbraw/zinc/36/85/81/185368581.db2.gz JIWPVOXHDVPXNG-CYBMUJFWSA-N 2 1 300.402 3.015 50 0 DGAAMP Cn1cc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000072479496 191179604 /nfs/dbraw/zinc/17/96/04/191179604.db2.gz PNWAHIGZUMRKHG-IBGZPJMESA-N 2 1 312.461 3.209 50 0 DGAAMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193398911 201045829 /nfs/dbraw/zinc/04/58/29/201045829.db2.gz OBTWTYVNSULZTL-MRXNPFEDSA-N 2 1 316.493 3.140 50 0 DGAAMP C[N@H+](Cc1cccc2c1OCO2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000065393527 184334304 /nfs/dbraw/zinc/33/43/04/184334304.db2.gz NDGLPDLMCWUDHN-UHFFFAOYSA-N 2 1 304.434 3.156 50 0 DGAAMP C[N@@H+](Cc1cccc2c1OCO2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000065393527 184334305 /nfs/dbraw/zinc/33/43/05/184334305.db2.gz NDGLPDLMCWUDHN-UHFFFAOYSA-N 2 1 304.434 3.156 50 0 DGAAMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NCC[NH+](C)C ZINC000000148364 431133799 /nfs/dbraw/zinc/13/37/99/431133799.db2.gz LIMCNNJUMXUNTC-UHFFFAOYSA-N 2 1 315.417 3.002 50 0 DGAAMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628587 431207124 /nfs/dbraw/zinc/20/71/24/431207124.db2.gz PSKRLXRDQVFGEU-CQSZACIVSA-N 2 1 310.869 3.037 50 0 DGAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC000011661666 431479143 /nfs/dbraw/zinc/47/91/43/431479143.db2.gz BTWQPGQIUJNHFZ-HXUWFJFHSA-N 2 1 316.489 3.054 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](CCCc3ccccc3)C2)C1 ZINC000011661666 431479147 /nfs/dbraw/zinc/47/91/47/431479147.db2.gz BTWQPGQIUJNHFZ-HXUWFJFHSA-N 2 1 316.489 3.054 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000011661666 431479153 /nfs/dbraw/zinc/47/91/53/431479153.db2.gz BTWQPGQIUJNHFZ-HXUWFJFHSA-N 2 1 316.489 3.054 50 0 DGAAMP Cc1c(C)n(CC[NH+](C)C)c2[nH+]c3c(c(N)c12)CCCCCC3 ZINC000012390659 431507667 /nfs/dbraw/zinc/50/76/67/431507667.db2.gz VJPGKYCUOMUWDK-UHFFFAOYSA-N 2 1 314.477 3.456 50 0 DGAAMP CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(C[NH+](C)C)cs1 ZINC000077338974 431584695 /nfs/dbraw/zinc/58/46/95/431584695.db2.gz SFOBXSBMLZOWNP-HNNXBMFYSA-N 2 1 324.490 3.117 50 0 DGAAMP Clc1cccc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc12 ZINC000097594809 431971598 /nfs/dbraw/zinc/97/15/98/431971598.db2.gz FIIUONSCCPFUNY-UHFFFAOYSA-N 2 1 315.848 3.464 50 0 DGAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000097732424 431974098 /nfs/dbraw/zinc/97/40/98/431974098.db2.gz WFDFQQYPWFARFB-OAHLLOKOSA-N 2 1 304.825 3.043 50 0 DGAAMP Cc1cccn2c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cnc12 ZINC000095961912 431928848 /nfs/dbraw/zinc/92/88/48/431928848.db2.gz QZSQMGIBJKXPBN-UHFFFAOYSA-N 2 1 300.450 3.042 50 0 DGAAMP CCC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000095974225 431929936 /nfs/dbraw/zinc/92/99/36/431929936.db2.gz GSTCHJFEQQCRMS-JCGIZDLHSA-N 2 1 315.461 3.313 50 0 DGAAMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000096441777 431950172 /nfs/dbraw/zinc/95/01/72/431950172.db2.gz UYESUYKWKGACMD-FQEVSTJZSA-N 2 1 316.489 3.257 50 0 DGAAMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000096441777 431950173 /nfs/dbraw/zinc/95/01/73/431950173.db2.gz UYESUYKWKGACMD-FQEVSTJZSA-N 2 1 316.489 3.257 50 0 DGAAMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000096441777 431950176 /nfs/dbraw/zinc/95/01/76/431950176.db2.gz UYESUYKWKGACMD-FQEVSTJZSA-N 2 1 316.489 3.257 50 0 DGAAMP Cn1cc(C[NH2+][C@@H]2CC[C@@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000097106911 431960925 /nfs/dbraw/zinc/96/09/25/431960925.db2.gz FNVGDSFFIAXCEL-IAGOWNOFSA-N 2 1 304.482 3.040 50 0 DGAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000534574482 334287642 /nfs/dbraw/zinc/28/76/42/334287642.db2.gz JPMRLILEZYYSAG-ZDUSSCGKSA-N 2 1 318.490 3.138 50 0 DGAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC000012303238 660527248 /nfs/dbraw/zinc/52/72/48/660527248.db2.gz DRAJOWDAYJXDJI-MRSBXDGLSA-N 2 1 314.473 3.134 50 0 DGAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC000012303238 660527250 /nfs/dbraw/zinc/52/72/50/660527250.db2.gz DRAJOWDAYJXDJI-MRSBXDGLSA-N 2 1 314.473 3.134 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC000012303238 660527252 /nfs/dbraw/zinc/52/72/52/660527252.db2.gz DRAJOWDAYJXDJI-MRSBXDGLSA-N 2 1 314.473 3.134 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC000012303238 660527254 /nfs/dbraw/zinc/52/72/54/660527254.db2.gz DRAJOWDAYJXDJI-MRSBXDGLSA-N 2 1 314.473 3.134 50 0 DGAAMP CCc1[nH+]ccn1C[C@H](C)N1CC(Oc2ccccc2CC)C1 ZINC001506403135 1186221969 /nfs/dbraw/zinc/22/19/69/1186221969.db2.gz RSXXYLHUAHLYEG-HNNXBMFYSA-N 2 1 313.445 3.160 50 0 DGAAMP CCc1nccn1C[C@@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000823557485 1091694309 /nfs/dbraw/zinc/69/43/09/1091694309.db2.gz RHWOKNIKJFKDBR-QGZVFWFLSA-N 2 1 312.461 3.046 50 0 DGAAMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccco2)CC1 ZINC000089959113 185271636 /nfs/dbraw/zinc/27/16/36/185271636.db2.gz KAYXQMHULLDRDU-UHFFFAOYSA-N 2 1 313.445 3.101 50 0 DGAAMP CN(c1ccccc1C[NH2+]Cc1ccco1)C1CC[NH+](C)CC1 ZINC000083877545 192389422 /nfs/dbraw/zinc/38/94/22/192389422.db2.gz APKLRCQGCJGFCD-UHFFFAOYSA-N 2 1 313.445 3.100 50 0 DGAAMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)nc3)CC2)CC1 ZINC000067695774 432036121 /nfs/dbraw/zinc/03/61/21/432036121.db2.gz QGEIEKUGMFKTTD-UHFFFAOYSA-N 2 1 307.869 3.433 50 0 DGAAMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000067758471 432039169 /nfs/dbraw/zinc/03/91/69/432039169.db2.gz JDXMDKAPUWCATP-OAHLLOKOSA-N 2 1 318.424 3.077 50 0 DGAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000067758471 432039171 /nfs/dbraw/zinc/03/91/71/432039171.db2.gz JDXMDKAPUWCATP-OAHLLOKOSA-N 2 1 318.424 3.077 50 0 DGAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCC(C)C)c12 ZINC000005346152 181232143 /nfs/dbraw/zinc/23/21/43/181232143.db2.gz LKDPXULMJNNSHY-UHFFFAOYSA-N 2 1 303.454 3.068 50 0 DGAAMP Cc1cn2c(C[NH2+]CCC[N@H+]3CCCC[C@H]3C)c(C)nc2s1 ZINC000078778110 400826338 /nfs/dbraw/zinc/82/63/38/400826338.db2.gz XMLPWAZKZOOGOK-CYBMUJFWSA-N 2 1 320.506 3.367 50 0 DGAAMP Cc1cn2c(C[NH2+]CCC[N@@H+]3CCCC[C@H]3C)c(C)nc2s1 ZINC000078778110 400826343 /nfs/dbraw/zinc/82/63/43/400826343.db2.gz XMLPWAZKZOOGOK-CYBMUJFWSA-N 2 1 320.506 3.367 50 0 DGAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000241383104 288104143 /nfs/dbraw/zinc/10/41/43/288104143.db2.gz MSOPXUOKPTWALB-RWQQGDIJSA-N 2 1 318.505 3.107 50 0 DGAAMP C[N@@H+](CCc1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110168 431527560 /nfs/dbraw/zinc/52/75/60/431527560.db2.gz WUHWNIFQFSHNLG-HXUWFJFHSA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110168 431527566 /nfs/dbraw/zinc/52/75/66/431527566.db2.gz WUHWNIFQFSHNLG-HXUWFJFHSA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110168 431527573 /nfs/dbraw/zinc/52/75/73/431527573.db2.gz WUHWNIFQFSHNLG-HXUWFJFHSA-N 2 1 309.457 3.078 50 0 DGAAMP CC1CC[NH+](C[C@H](O)C[NH+](C2CCCC2)C2CCCC2)CC1 ZINC000089929961 431886611 /nfs/dbraw/zinc/88/66/11/431886611.db2.gz PKWLYHBVDBYZDY-IBGZPJMESA-N 2 1 308.510 3.266 50 0 DGAAMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000097604206 431972238 /nfs/dbraw/zinc/97/22/38/431972238.db2.gz PJYZCUYOFKJYDB-IBGZPJMESA-N 2 1 312.413 3.029 50 0 DGAAMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000097604206 431972240 /nfs/dbraw/zinc/97/22/40/431972240.db2.gz PJYZCUYOFKJYDB-IBGZPJMESA-N 2 1 312.413 3.029 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000095980662 431930441 /nfs/dbraw/zinc/93/04/41/431930441.db2.gz LUPJVCDTCUGHGJ-KDOFPFPSSA-N 2 1 310.445 3.277 50 0 DGAAMP Cc1[nH+]ccn1Cc1ccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000095980662 431930443 /nfs/dbraw/zinc/93/04/43/431930443.db2.gz LUPJVCDTCUGHGJ-KDOFPFPSSA-N 2 1 310.445 3.277 50 0 DGAAMP Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC000097547598 431970348 /nfs/dbraw/zinc/97/03/48/431970348.db2.gz REGBZMSLQBLELS-IBGZPJMESA-N 2 1 310.441 3.212 50 0 DGAAMP Cc1cc(N2CCC([N@H+](C)CCCCCF)CC2)nc(C)[nH+]1 ZINC000252494793 432379398 /nfs/dbraw/zinc/37/93/98/432379398.db2.gz OFDGXXUGKUPXSX-UHFFFAOYSA-N 2 1 308.445 3.134 50 0 DGAAMP Cc1cc(N2CCC([N@@H+](C)CCCCCF)CC2)nc(C)[nH+]1 ZINC000252494793 432379402 /nfs/dbraw/zinc/37/94/02/432379402.db2.gz OFDGXXUGKUPXSX-UHFFFAOYSA-N 2 1 308.445 3.134 50 0 DGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000215688382 432645401 /nfs/dbraw/zinc/64/54/01/432645401.db2.gz MKJIAUCJFBRLFJ-UHFFFAOYSA-N 2 1 313.323 3.222 50 0 DGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000215688382 432645407 /nfs/dbraw/zinc/64/54/07/432645407.db2.gz MKJIAUCJFBRLFJ-UHFFFAOYSA-N 2 1 313.323 3.222 50 0 DGAAMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000163458453 432853966 /nfs/dbraw/zinc/85/39/66/432853966.db2.gz CPFZBVXJBWDCCL-ZYHUDNBSSA-N 2 1 304.331 3.417 50 0 DGAAMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000163458453 432853967 /nfs/dbraw/zinc/85/39/67/432853967.db2.gz CPFZBVXJBWDCCL-ZYHUDNBSSA-N 2 1 304.331 3.417 50 0 DGAAMP CC(C)=CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC000090891374 545831413 /nfs/dbraw/zinc/83/14/13/545831413.db2.gz UMWRXXGYGKORJQ-LJQANCHMSA-N 2 1 320.452 3.053 50 0 DGAAMP C[N@@H+](CCn1ccnc1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215541962 546262152 /nfs/dbraw/zinc/26/21/52/546262152.db2.gz JESZMQXPRRFZJA-UHFFFAOYSA-N 2 1 318.490 3.063 50 0 DGAAMP C[C@H]1C[C@@H](NCc2ccc3ccc(F)c(F)c3n2)CC[N@H+]1C ZINC000585118734 547024660 /nfs/dbraw/zinc/02/46/60/547024660.db2.gz ZWOWWRHIGQWEOD-AAEUAGOBSA-N 2 1 305.372 3.085 50 0 DGAAMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCN1C ZINC000585118734 547024666 /nfs/dbraw/zinc/02/46/66/547024666.db2.gz ZWOWWRHIGQWEOD-AAEUAGOBSA-N 2 1 305.372 3.085 50 0 DGAAMP Cc1cc[nH+]c(N2CCC([NH2+]CCOc3ccccc3)CC2)c1 ZINC000170034693 575284556 /nfs/dbraw/zinc/28/45/56/575284556.db2.gz IATMKGPCYLJDRY-UHFFFAOYSA-N 2 1 311.429 3.027 50 0 DGAAMP CCn1cncc1C[N@H+]1CC[C@@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012314844 660528321 /nfs/dbraw/zinc/52/83/21/660528321.db2.gz ODFQBLMFLXZBLP-GOSISDBHSA-N 2 1 318.509 3.093 50 0 DGAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000952988623 662210519 /nfs/dbraw/zinc/21/05/19/662210519.db2.gz QXMBWHHTWRUHNY-UHFFFAOYSA-N 2 1 323.444 3.372 50 0 DGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1ccc(OC(C)C)cc1 ZINC001506407137 1186223304 /nfs/dbraw/zinc/22/33/04/1186223304.db2.gz ONWPTXDBTHYXKI-INIZCTEOSA-N 2 1 315.461 3.454 50 0 DGAAMP COc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000078912984 185127616 /nfs/dbraw/zinc/12/76/16/185127616.db2.gz NONHWWGHXKKTES-UHFFFAOYSA-N 2 1 324.468 3.492 50 0 DGAAMP C[N@H+](Cc1ccc(SC(F)F)cc1)CC1CC[NH2+]CC1 ZINC000097019941 185398127 /nfs/dbraw/zinc/39/81/27/185398127.db2.gz SQXJIHRZCSBPAF-UHFFFAOYSA-N 2 1 300.418 3.433 50 0 DGAAMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3cccnc3)C2)CC1 ZINC000172809449 198152180 /nfs/dbraw/zinc/15/21/80/198152180.db2.gz XYRCLVTWECRHIY-LJQANCHMSA-N 2 1 301.478 3.068 50 0 DGAAMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3cccnc3)C2)CC1 ZINC000172809449 198152181 /nfs/dbraw/zinc/15/21/81/198152181.db2.gz XYRCLVTWECRHIY-LJQANCHMSA-N 2 1 301.478 3.068 50 0 DGAAMP Cc1cc(N2CCC([NH2+]C[C@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000194565383 201252456 /nfs/dbraw/zinc/25/24/56/201252456.db2.gz AWNMCULBXQYQPL-HNNXBMFYSA-N 2 1 324.472 3.456 50 0 DGAAMP c1cn(Cc2ccccn2)c(C2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000091997705 193138706 /nfs/dbraw/zinc/13/87/06/193138706.db2.gz BLZCIALZLCPZDO-UHFFFAOYSA-N 2 1 319.412 3.105 50 0 DGAAMP CN(Cc1ccc2c(c1)C[N@H+](C)C2)CC(C)(C)[NH+]1CCCCC1 ZINC000216492666 257273225 /nfs/dbraw/zinc/27/32/25/257273225.db2.gz APXADFUEVLTFEC-UHFFFAOYSA-N 2 1 315.505 3.328 50 0 DGAAMP C[N@@H+](Cc1cccc(CC[NH3+])c1)Cc1cccc2ncccc12 ZINC000072407565 431335440 /nfs/dbraw/zinc/33/54/40/431335440.db2.gz OJXDHUQHKAGNAT-UHFFFAOYSA-N 2 1 305.425 3.368 50 0 DGAAMP CCC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000095974223 431929717 /nfs/dbraw/zinc/92/97/17/431929717.db2.gz GSTCHJFEQQCRMS-BMGDILEWSA-N 2 1 315.461 3.313 50 0 DGAAMP Cc1ncc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000097200548 431964288 /nfs/dbraw/zinc/96/42/88/431964288.db2.gz VJVVNOGXZIPLJK-CQSZACIVSA-N 2 1 302.447 3.089 50 0 DGAAMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097301333 431967242 /nfs/dbraw/zinc/96/72/42/431967242.db2.gz ZIPSRANMQRZQJC-MRXNPFEDSA-N 2 1 302.462 3.439 50 0 DGAAMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097301333 431967243 /nfs/dbraw/zinc/96/72/43/431967243.db2.gz ZIPSRANMQRZQJC-MRXNPFEDSA-N 2 1 302.462 3.439 50 0 DGAAMP CCc1ccc(C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)nc1 ZINC000215349068 432643756 /nfs/dbraw/zinc/64/37/56/432643756.db2.gz GJKOATFLAIEVKI-UHFFFAOYSA-N 2 1 303.475 3.399 50 0 DGAAMP CCc1ccc(C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)nc1 ZINC000215349068 432643762 /nfs/dbraw/zinc/64/37/62/432643762.db2.gz GJKOATFLAIEVKI-UHFFFAOYSA-N 2 1 303.475 3.399 50 0 DGAAMP C[NH+](C)CCOc1ccccc1C[N@@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC000216284268 432649567 /nfs/dbraw/zinc/64/95/67/432649567.db2.gz LNYWMBGQPOCFAT-QGZVFWFLSA-N 2 1 320.477 3.016 50 0 DGAAMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000242183897 432818269 /nfs/dbraw/zinc/81/82/69/432818269.db2.gz XCUOENXXLIMYKL-UHFFFAOYSA-N 2 1 320.234 3.233 50 0 DGAAMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c2cccnc12 ZINC000244734547 432821877 /nfs/dbraw/zinc/82/18/77/432821877.db2.gz NHSRURLEYHWASK-UHFFFAOYSA-N 2 1 324.428 3.270 50 0 DGAAMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c2cccnc12 ZINC000244734547 432821879 /nfs/dbraw/zinc/82/18/79/432821879.db2.gz NHSRURLEYHWASK-UHFFFAOYSA-N 2 1 324.428 3.270 50 0 DGAAMP C[C@H](c1cccnc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280465779 433053825 /nfs/dbraw/zinc/05/38/25/433053825.db2.gz OQZJXRZWAFQTJY-AHRSYUTCSA-N 2 1 307.441 3.206 50 0 DGAAMP C[C@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280465779 433053829 /nfs/dbraw/zinc/05/38/29/433053829.db2.gz OQZJXRZWAFQTJY-AHRSYUTCSA-N 2 1 307.441 3.206 50 0 DGAAMP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280465779 433053831 /nfs/dbraw/zinc/05/38/31/433053831.db2.gz OQZJXRZWAFQTJY-AHRSYUTCSA-N 2 1 307.441 3.206 50 0 DGAAMP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280465779 433053835 /nfs/dbraw/zinc/05/38/35/433053835.db2.gz OQZJXRZWAFQTJY-AHRSYUTCSA-N 2 1 307.441 3.206 50 0 DGAAMP Cc1ccc(-c2cccc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)c2)o1 ZINC000426689813 433559862 /nfs/dbraw/zinc/55/98/62/433559862.db2.gz DJFXEVCGQQFZCA-QGFMHUBQSA-N 2 1 308.425 3.437 50 0 DGAAMP COCC[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000172150473 659319447 /nfs/dbraw/zinc/31/94/47/659319447.db2.gz GTLNWYDKAVVJPO-UHFFFAOYSA-N 2 1 319.836 3.411 50 0 DGAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC3(C)C)CC2)cs1 ZINC000342725720 685132961 /nfs/dbraw/zinc/13/29/61/685132961.db2.gz HBGFTTJHKJTOIH-MRXNPFEDSA-N 2 1 307.507 3.442 50 0 DGAAMP Cc1cccc(C[N@@H+](CCCn2ccnc2)C[C@@H]2CCCO2)c1 ZINC001529126624 1187535026 /nfs/dbraw/zinc/53/50/26/1187535026.db2.gz KKJSOUVPEOPHGH-IBGZPJMESA-N 2 1 313.445 3.263 50 0 DGAAMP Cc1c[nH+]c(C2CCOCC2)n1CC1CC[NH+](CC2CC2)CC1 ZINC000575550865 1092047268 /nfs/dbraw/zinc/04/72/68/1092047268.db2.gz YSBCFJKKKMGOKN-UHFFFAOYSA-N 2 1 317.477 3.208 50 0 DGAAMP CC(C)[N@H+]1CCCN(CC(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000952860266 1096781948 /nfs/dbraw/zinc/78/19/48/1096781948.db2.gz KJDYKYHWFZZVQC-UHFFFAOYSA-N 2 1 309.542 3.305 50 0 DGAAMP C[C@@H]([NH2+]C[C@@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000952876930 1096783788 /nfs/dbraw/zinc/78/37/88/1096783788.db2.gz IOQVZBQLKWGGRK-HUUCEWRRSA-N 2 1 306.413 3.345 50 0 DGAAMP c1cn(Cc2ccncc2)c(C2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000095496520 185374012 /nfs/dbraw/zinc/37/40/12/185374012.db2.gz SXERHIHIODQOIY-UHFFFAOYSA-N 2 1 319.412 3.105 50 0 DGAAMP CNc1nc(N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc(C)[nH+]1 ZINC000072419248 191157031 /nfs/dbraw/zinc/15/70/31/191157031.db2.gz AOWPAOCMLDKCCJ-INIZCTEOSA-N 2 1 317.481 3.283 50 0 DGAAMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cncn1C ZINC000237346629 202240309 /nfs/dbraw/zinc/24/03/09/202240309.db2.gz PUDAJEIRZMYQDA-MRXNPFEDSA-N 2 1 312.461 3.084 50 0 DGAAMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cncn1C ZINC000237346629 202240312 /nfs/dbraw/zinc/24/03/12/202240312.db2.gz PUDAJEIRZMYQDA-MRXNPFEDSA-N 2 1 312.461 3.084 50 0 DGAAMP COCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000449739683 240392053 /nfs/dbraw/zinc/39/20/53/240392053.db2.gz BXVRWXNQFRWWBV-UHFFFAOYSA-N 2 1 316.489 3.447 50 0 DGAAMP CC[N@H+]1CCc2c(cccc2NC2CC[NH+](C(C)C)CC2)C1 ZINC000170593830 400763552 /nfs/dbraw/zinc/76/35/52/400763552.db2.gz FKHZOQFCSPFBMD-UHFFFAOYSA-N 2 1 301.478 3.349 50 0 DGAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC000225421035 276198382 /nfs/dbraw/zinc/19/83/82/276198382.db2.gz DVUQDHITEFOMPH-LJQANCHMSA-N 2 1 307.526 3.059 50 0 DGAAMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000019111005 431620710 /nfs/dbraw/zinc/62/07/10/431620710.db2.gz RHUHINFRANQJKD-GOSISDBHSA-N 2 1 315.505 3.319 50 0 DGAAMP Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc2[nH+]1 ZINC000089583158 431870501 /nfs/dbraw/zinc/87/05/01/431870501.db2.gz QPKVIKYGULQWMM-MRXNPFEDSA-N 2 1 313.445 3.312 50 0 DGAAMP C[C@@H](Cc1ccsc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594784 431871195 /nfs/dbraw/zinc/87/11/95/431871195.db2.gz RKXTYTMWEAVVBD-INIZCTEOSA-N 2 1 322.518 3.304 50 0 DGAAMP CC(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000035052740 431824015 /nfs/dbraw/zinc/82/40/15/431824015.db2.gz DPEDLUIXPMZGRC-UHFFFAOYSA-N 2 1 304.463 3.101 50 0 DGAAMP Cn1cc(C[NH2+][C@H]2CC[C@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000097106910 431961050 /nfs/dbraw/zinc/96/10/50/431961050.db2.gz FNVGDSFFIAXCEL-IRXDYDNUSA-N 2 1 304.482 3.040 50 0 DGAAMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000253534268 432398579 /nfs/dbraw/zinc/39/85/79/432398579.db2.gz ROIRRISWIXKVFP-PBHICJAKSA-N 2 1 313.445 3.245 50 0 DGAAMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000253534268 432398584 /nfs/dbraw/zinc/39/85/84/432398584.db2.gz ROIRRISWIXKVFP-PBHICJAKSA-N 2 1 313.445 3.245 50 0 DGAAMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000253534268 432398589 /nfs/dbraw/zinc/39/85/89/432398589.db2.gz ROIRRISWIXKVFP-PBHICJAKSA-N 2 1 313.445 3.245 50 0 DGAAMP Cc1csc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)n1 ZINC000244678612 432822904 /nfs/dbraw/zinc/82/29/04/432822904.db2.gz IGTNVLISBNOBDH-OAHLLOKOSA-N 2 1 304.463 3.401 50 0 DGAAMP Cc1csc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)n1 ZINC000244678612 432822906 /nfs/dbraw/zinc/82/29/06/432822906.db2.gz IGTNVLISBNOBDH-OAHLLOKOSA-N 2 1 304.463 3.401 50 0 DGAAMP COc1ccc([C@@H]([NH2+]CCCc2c[nH+]cn2C)C(C)C)cc1 ZINC000408523829 434586910 /nfs/dbraw/zinc/58/69/10/434586910.db2.gz NVYZWKSCVYQSCT-SFHVURJKSA-N 2 1 301.434 3.348 50 0 DGAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC3(C)C)CC2)cs1 ZINC000342725717 685132973 /nfs/dbraw/zinc/13/29/73/685132973.db2.gz HBGFTTJHKJTOIH-INIZCTEOSA-N 2 1 307.507 3.442 50 0 DGAAMP COc1cc(CC[NH2+][C@H](C)C[NH+]2CCCCCC2)cc(OC)c1 ZINC001506403371 1186223552 /nfs/dbraw/zinc/22/35/52/1186223552.db2.gz OHIUMYZRXUNKGT-MRXNPFEDSA-N 2 1 320.477 3.100 50 0 DGAAMP C[N@H+]1CCCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000823778634 1091699005 /nfs/dbraw/zinc/69/90/05/1091699005.db2.gz JSBAGGUZWPPLGP-SFHVURJKSA-N 2 1 315.461 3.095 50 0 DGAAMP CC[C@H]1C=CC[N@H+]1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000952873906 1096784354 /nfs/dbraw/zinc/78/43/54/1096784354.db2.gz QAVBJJVXYMASBJ-SFHVURJKSA-N 2 1 300.446 3.441 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000090454412 185297296 /nfs/dbraw/zinc/29/72/96/185297296.db2.gz LUZUOVSQVPIZKZ-GUYCJALGSA-N 2 1 321.428 3.112 50 0 DGAAMP c1ccc(CCC[N@@H+]2CCCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000082099189 192355145 /nfs/dbraw/zinc/35/51/45/192355145.db2.gz RXTMJVQCAUFTNE-HXUWFJFHSA-N 2 1 316.489 3.242 50 0 DGAAMP c1ccc(CCC[N@H+]2CCCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000082099189 192355147 /nfs/dbraw/zinc/35/51/47/192355147.db2.gz RXTMJVQCAUFTNE-HXUWFJFHSA-N 2 1 316.489 3.242 50 0 DGAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000067789064 432040946 /nfs/dbraw/zinc/04/09/46/432040946.db2.gz KIBPKGNJISBPOR-AWEZNQCLSA-N 2 1 311.433 3.253 50 0 DGAAMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770228 193303648 /nfs/dbraw/zinc/30/36/48/193303648.db2.gz ZZSYEVOHQYFTQX-OAHLLOKOSA-N 2 1 302.462 3.174 50 0 DGAAMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770228 193303650 /nfs/dbraw/zinc/30/36/50/193303650.db2.gz ZZSYEVOHQYFTQX-OAHLLOKOSA-N 2 1 302.462 3.174 50 0 DGAAMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770228 193303651 /nfs/dbraw/zinc/30/36/51/193303651.db2.gz ZZSYEVOHQYFTQX-OAHLLOKOSA-N 2 1 302.462 3.174 50 0 DGAAMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770228 193303653 /nfs/dbraw/zinc/30/36/53/193303653.db2.gz ZZSYEVOHQYFTQX-OAHLLOKOSA-N 2 1 302.462 3.174 50 0 DGAAMP CCC[NH+]1CCC([NH2+]C[C@H](c2sccc2C)N(C)C)CC1 ZINC000065407490 184339231 /nfs/dbraw/zinc/33/92/31/184339231.db2.gz VPZKISDHKXLLFE-MRXNPFEDSA-N 2 1 309.523 3.123 50 0 DGAAMP CCc1cc(N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)nc(C)n1 ZINC000216486813 257273280 /nfs/dbraw/zinc/27/32/80/257273280.db2.gz CWXWINMYWCOVFV-GOSISDBHSA-N 2 1 316.493 3.294 50 0 DGAAMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OC(F)F)cc2)CC1 ZINC000374328315 257235231 /nfs/dbraw/zinc/23/52/31/257235231.db2.gz ZBTUQORCDLVHOK-UHFFFAOYSA-N 2 1 310.388 3.348 50 0 DGAAMP COc1cc2c(cc1OC)C1(CCCC1)C[N@@H+](CCC[NH3+])[C@H]2C ZINC000002478772 431252897 /nfs/dbraw/zinc/25/28/97/431252897.db2.gz MNWINNFZLRVWCS-AWEZNQCLSA-N 2 1 318.461 3.241 50 0 DGAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C2CCC2)CC1 ZINC000015065705 431601909 /nfs/dbraw/zinc/60/19/09/431601909.db2.gz GGSOFOYLXYYIJP-UHFFFAOYSA-N 2 1 316.489 3.434 50 0 DGAAMP COc1ccc(C[NH+]2CCC([C@H](C)[NH+](C)C)CC2)c(F)c1F ZINC000077537406 431605945 /nfs/dbraw/zinc/60/59/45/431605945.db2.gz NGYAWJRYPGRZRZ-LBPRGKRZSA-N 2 1 312.404 3.136 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000096476534 431952727 /nfs/dbraw/zinc/95/27/27/431952727.db2.gz NXUZUQOZHLISES-GUYCJALGSA-N 2 1 311.385 3.158 50 0 DGAAMP Cc1ccc(C[N@H+](CCCO)CC2CC[NH+](C(C)C)CC2)s1 ZINC000055341993 431980364 /nfs/dbraw/zinc/98/03/64/431980364.db2.gz BDCHGVBPJPNJRR-UHFFFAOYSA-N 2 1 324.534 3.361 50 0 DGAAMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C2CCCCC2)n1 ZINC000097086496 431960470 /nfs/dbraw/zinc/96/04/70/431960470.db2.gz GIWHBRZMQNUZRH-HNNXBMFYSA-N 2 1 316.493 3.042 50 0 DGAAMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C2CCCCC2)n1 ZINC000097086496 431960473 /nfs/dbraw/zinc/96/04/73/431960473.db2.gz GIWHBRZMQNUZRH-HNNXBMFYSA-N 2 1 316.493 3.042 50 0 DGAAMP Cn1cc(C[NH2+][C@H]2CC[C@@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000097106912 431961206 /nfs/dbraw/zinc/96/12/06/431961206.db2.gz FNVGDSFFIAXCEL-DLBZAZTESA-N 2 1 304.482 3.040 50 0 DGAAMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC(C)C)CC2)o1 ZINC000097159588 431963578 /nfs/dbraw/zinc/96/35/78/431963578.db2.gz BTAWIEGNDOTGDF-UHFFFAOYSA-N 2 1 316.449 3.188 50 0 DGAAMP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1F ZINC000192958594 432434289 /nfs/dbraw/zinc/43/42/89/432434289.db2.gz SYUSIDIPALXBEF-HNNXBMFYSA-N 2 1 303.381 3.004 50 0 DGAAMP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1F ZINC000192958594 432434293 /nfs/dbraw/zinc/43/42/93/432434293.db2.gz SYUSIDIPALXBEF-HNNXBMFYSA-N 2 1 303.381 3.004 50 0 DGAAMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000163458578 432854105 /nfs/dbraw/zinc/85/41/05/432854105.db2.gz CPFZBVXJBWDCCL-CMPLNLGQSA-N 2 1 304.331 3.417 50 0 DGAAMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000163458578 432854108 /nfs/dbraw/zinc/85/41/08/432854108.db2.gz CPFZBVXJBWDCCL-CMPLNLGQSA-N 2 1 304.331 3.417 50 0 DGAAMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000090526341 545828154 /nfs/dbraw/zinc/82/81/54/545828154.db2.gz LZMBKABBWSXSDN-JQFCIGGWSA-N 2 1 308.491 3.167 50 0 DGAAMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000888099156 618625806 /nfs/dbraw/zinc/62/58/06/618625806.db2.gz WQWVYTNTAGWGKG-HOTGVXAUSA-N 2 1 323.444 3.004 50 0 DGAAMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000952973997 662209387 /nfs/dbraw/zinc/20/93/87/662209387.db2.gz ADHJWWCKBWZQGH-LJQANCHMSA-N 2 1 312.461 3.425 50 0 DGAAMP COc1cc(CC[NH2+][C@@H](C)C[NH+]2CCCCCC2)cc(OC)c1 ZINC001506403364 1186221482 /nfs/dbraw/zinc/22/14/82/1186221482.db2.gz OHIUMYZRXUNKGT-INIZCTEOSA-N 2 1 320.477 3.100 50 0 DGAAMP COc1c(C)cnc(CN(C)CC[N@H+]2CCCC[C@H]2C)c1C ZINC001529091696 1187531742 /nfs/dbraw/zinc/53/17/42/1187531742.db2.gz PCUGZIAFJGXWHS-OAHLLOKOSA-N 2 1 305.466 3.013 50 0 DGAAMP COc1c(C)c[nH+]c(CN(C)CC[N@@H+]2CCCC[C@H]2C)c1C ZINC001529091696 1187531747 /nfs/dbraw/zinc/53/17/47/1187531747.db2.gz PCUGZIAFJGXWHS-OAHLLOKOSA-N 2 1 305.466 3.013 50 0 DGAAMP COc1c(C)c[nH+]c(CN(C)CC[N@H+]2CCCC[C@H]2C)c1C ZINC001529091696 1187531752 /nfs/dbraw/zinc/53/17/52/1187531752.db2.gz PCUGZIAFJGXWHS-OAHLLOKOSA-N 2 1 305.466 3.013 50 0 DGAAMP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@@H+](C)Cc3nc4ccccc4[nH]3)C[C@@H]2C1 ZINC001704350197 1202522688 /nfs/dbraw/zinc/52/26/88/1202522688.db2.gz GETKERAEPJHCNN-GEEKYZPCSA-N 2 1 312.461 3.114 50 0 DGAAMP C[N@H+]1CCCC[C@H]1CC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000828075223 1091804193 /nfs/dbraw/zinc/80/41/93/1091804193.db2.gz YVRILKIEKASAMZ-KRWDZBQOSA-N 2 1 315.461 3.095 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000090454411 185297347 /nfs/dbraw/zinc/29/73/47/185297347.db2.gz LUZUOVSQVPIZKZ-DYVFJYSZSA-N 2 1 321.428 3.112 50 0 DGAAMP Cc1ccc(NC(=O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000024602376 182385249 /nfs/dbraw/zinc/38/52/49/182385249.db2.gz QTRXIYOBHWXUSQ-UHFFFAOYSA-N 2 1 317.477 3.141 50 0 DGAAMP COc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000016663185 400175999 /nfs/dbraw/zinc/17/59/99/400175999.db2.gz OKXNHIFQCPVMDS-UHFFFAOYSA-N 2 1 324.468 3.492 50 0 DGAAMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000008377256 431395803 /nfs/dbraw/zinc/39/58/03/431395803.db2.gz XYSITXBADYQLKH-UHFFFAOYSA-N 2 1 302.393 3.104 50 0 DGAAMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000096455933 431951399 /nfs/dbraw/zinc/95/13/99/431951399.db2.gz WLRKIMFQKLSMGH-OKILXGFUSA-N 2 1 322.415 3.150 50 0 DGAAMP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000097159607 431963265 /nfs/dbraw/zinc/96/32/65/431963265.db2.gz SZROZSRKETXGAP-UHFFFAOYSA-N 2 1 312.461 3.089 50 0 DGAAMP Cc1cc(N2CCC([NH2+]C[C@@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000194565367 432561791 /nfs/dbraw/zinc/56/17/91/432561791.db2.gz AWNMCULBXQYQPL-OAHLLOKOSA-N 2 1 324.472 3.456 50 0 DGAAMP CSc1ccc2c(c1)CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000243893237 432819467 /nfs/dbraw/zinc/81/94/67/432819467.db2.gz APRDOMYQEUZNBN-UHFFFAOYSA-N 2 1 301.459 3.362 50 0 DGAAMP CSc1ccc2c(c1)CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000243893237 432819468 /nfs/dbraw/zinc/81/94/68/432819468.db2.gz APRDOMYQEUZNBN-UHFFFAOYSA-N 2 1 301.459 3.362 50 0 DGAAMP c1nc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000670435798 547753732 /nfs/dbraw/zinc/75/37/32/547753732.db2.gz YJKXBNAYZXTORN-OAHLLOKOSA-N 2 1 311.433 3.174 50 0 DGAAMP c1nc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000670435798 547753736 /nfs/dbraw/zinc/75/37/36/547753736.db2.gz YJKXBNAYZXTORN-OAHLLOKOSA-N 2 1 311.433 3.174 50 0 DGAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)s1 ZINC000952988830 662210533 /nfs/dbraw/zinc/21/05/33/662210533.db2.gz QFIGSBUKQHNZIV-UHFFFAOYSA-N 2 1 315.446 3.077 50 0 DGAAMP CCNc1ccnc(NC[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC001506401639 1186221925 /nfs/dbraw/zinc/22/19/25/1186221925.db2.gz NLZLGQLEFDKJLE-HNNXBMFYSA-N 2 1 317.481 3.365 50 0 DGAAMP CCNc1cc[nH+]c(NC[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC001506401639 1186221936 /nfs/dbraw/zinc/22/19/36/1186221936.db2.gz NLZLGQLEFDKJLE-HNNXBMFYSA-N 2 1 317.481 3.365 50 0 DGAAMP CCNc1cc[nH+]c(NC[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC001506401639 1186221942 /nfs/dbraw/zinc/22/19/42/1186221942.db2.gz NLZLGQLEFDKJLE-HNNXBMFYSA-N 2 1 317.481 3.365 50 0 DGAAMP C[C@H](C[N@@H+](C)Cc1cc2ccccc2[nH]c1=O)C[NH+]1CCCC1 ZINC001506428807 1186228226 /nfs/dbraw/zinc/22/82/26/1186228226.db2.gz ZDECHDRHTDGHMV-OAHLLOKOSA-N 2 1 313.445 3.104 50 0 DGAAMP CCc1ccc(C[N@@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)nc1 ZINC001704337635 1202521836 /nfs/dbraw/zinc/52/18/36/1202521836.db2.gz AYPZJVQIWRPASP-AMBYYYRHSA-N 2 1 301.478 3.195 50 0 DGAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581807029 1092281547 /nfs/dbraw/zinc/28/15/47/1092281547.db2.gz AASSNYPPJATOPS-QGZVFWFLSA-N 2 1 303.450 3.275 50 0 DGAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000581807029 1092281558 /nfs/dbraw/zinc/28/15/58/1092281558.db2.gz AASSNYPPJATOPS-QGZVFWFLSA-N 2 1 303.450 3.275 50 0 DGAAMP c1cn(Cc2ccncc2)c([C@@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000095499909 185374574 /nfs/dbraw/zinc/37/45/74/185374574.db2.gz DRCALIYZRDNVCQ-QGZVFWFLSA-N 2 1 319.412 3.105 50 0 DGAAMP c1ccc(CCC[N@@H+]2CCCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000082099187 192354987 /nfs/dbraw/zinc/35/49/87/192354987.db2.gz RXTMJVQCAUFTNE-FQEVSTJZSA-N 2 1 316.489 3.242 50 0 DGAAMP c1ccc(CCC[N@H+]2CCCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000082099187 192354989 /nfs/dbraw/zinc/35/49/89/192354989.db2.gz RXTMJVQCAUFTNE-FQEVSTJZSA-N 2 1 316.489 3.242 50 0 DGAAMP CNc1nc(N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc(C)[nH+]1 ZINC000072419247 191157521 /nfs/dbraw/zinc/15/75/21/191157521.db2.gz AOWPAOCMLDKCCJ-MRXNPFEDSA-N 2 1 317.481 3.283 50 0 DGAAMP CC(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000042207511 183242837 /nfs/dbraw/zinc/24/28/37/183242837.db2.gz ZHGVFCFATXEYET-UHFFFAOYSA-N 2 1 318.490 3.348 50 0 DGAAMP c1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000253369485 401098603 /nfs/dbraw/zinc/09/86/03/401098603.db2.gz DBWMNLQTOBNVCP-CGTJXYLNSA-N 2 1 313.470 3.143 50 0 DGAAMP c1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000253369485 401098607 /nfs/dbraw/zinc/09/86/07/401098607.db2.gz DBWMNLQTOBNVCP-CGTJXYLNSA-N 2 1 313.470 3.143 50 0 DGAAMP Cc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc2[nH+]1 ZINC000089583164 431871183 /nfs/dbraw/zinc/87/11/83/431871183.db2.gz QPKVIKYGULQWMM-INIZCTEOSA-N 2 1 313.445 3.312 50 0 DGAAMP Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC000097547597 431970766 /nfs/dbraw/zinc/97/07/66/431970766.db2.gz REGBZMSLQBLELS-LJQANCHMSA-N 2 1 310.441 3.212 50 0 DGAAMP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)c1 ZINC000055308724 431978958 /nfs/dbraw/zinc/97/89/58/431978958.db2.gz UTQSACHKVCEEER-AZUAARDMSA-N 2 1 324.472 3.226 50 0 DGAAMP Cc1n[nH]c(C)c1CCC[N@H+](C)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055361060 431980450 /nfs/dbraw/zinc/98/04/50/431980450.db2.gz GSVFDIJEISITLT-PKOBYXMFSA-N 2 1 318.509 3.155 50 0 DGAAMP Cc1n[nH]c(C)c1CCC[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055361060 431980453 /nfs/dbraw/zinc/98/04/53/431980453.db2.gz GSVFDIJEISITLT-PKOBYXMFSA-N 2 1 318.509 3.155 50 0 DGAAMP Cc1n[nH]c(C)c1CCC[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055361060 431980456 /nfs/dbraw/zinc/98/04/56/431980456.db2.gz GSVFDIJEISITLT-PKOBYXMFSA-N 2 1 318.509 3.155 50 0 DGAAMP Cc1n[nH]c(C)c1CCC[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055361060 431980458 /nfs/dbraw/zinc/98/04/58/431980458.db2.gz GSVFDIJEISITLT-PKOBYXMFSA-N 2 1 318.509 3.155 50 0 DGAAMP Cc1n[nH]c(C)c1CCC[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055361060 431980461 /nfs/dbraw/zinc/98/04/61/431980461.db2.gz GSVFDIJEISITLT-PKOBYXMFSA-N 2 1 318.509 3.155 50 0 DGAAMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097301332 431967352 /nfs/dbraw/zinc/96/73/52/431967352.db2.gz ZIPSRANMQRZQJC-INIZCTEOSA-N 2 1 302.462 3.439 50 0 DGAAMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097301332 431967353 /nfs/dbraw/zinc/96/73/53/431967353.db2.gz ZIPSRANMQRZQJC-INIZCTEOSA-N 2 1 302.462 3.439 50 0 DGAAMP Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2[C@@H]3C[NH2+]C[C@H]23)ccc1F ZINC000102434220 431994042 /nfs/dbraw/zinc/99/40/42/431994042.db2.gz VLLFXDMHVJBCQL-TUPNRVOGSA-N 2 1 314.448 3.310 50 0 DGAAMP CCC(C)(C)[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192775942 432412604 /nfs/dbraw/zinc/41/26/04/432412604.db2.gz AZHXUEHXVXRXBO-GOSISDBHSA-N 2 1 309.542 3.303 50 0 DGAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215261410 432643584 /nfs/dbraw/zinc/64/35/84/432643584.db2.gz KRINPVLNRPVNEO-UHFFFAOYSA-N 2 1 313.445 3.198 50 0 DGAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215261410 432643588 /nfs/dbraw/zinc/64/35/88/432643588.db2.gz KRINPVLNRPVNEO-UHFFFAOYSA-N 2 1 313.445 3.198 50 0 DGAAMP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1cc(F)cc(Cl)c1 ZINC000215858423 432644916 /nfs/dbraw/zinc/64/49/16/432644916.db2.gz DHXASKYOKKQVBR-UHFFFAOYSA-N 2 1 314.832 3.023 50 0 DGAAMP CC(C)[NH+]1CCC(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000216168719 432646805 /nfs/dbraw/zinc/64/68/05/432646805.db2.gz XNISGSDFTCOCND-FQEVSTJZSA-N 2 1 315.505 3.096 50 0 DGAAMP COCC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C[NH+](C)C)c2)C1 ZINC000216425378 432649829 /nfs/dbraw/zinc/64/98/29/432649829.db2.gz QNKCQPGOQBXTRW-INIZCTEOSA-N 2 1 320.477 3.005 50 0 DGAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244724079 432821339 /nfs/dbraw/zinc/82/13/39/432821339.db2.gz MNDBGZVJUBYIID-SFHVURJKSA-N 2 1 312.461 3.040 50 0 DGAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244724079 432821343 /nfs/dbraw/zinc/82/13/43/432821343.db2.gz MNDBGZVJUBYIID-SFHVURJKSA-N 2 1 312.461 3.040 50 0 DGAAMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000241326129 432815255 /nfs/dbraw/zinc/81/52/55/432815255.db2.gz LZMBKABBWSXSDN-IAOVAPTHSA-N 2 1 308.491 3.167 50 0 DGAAMP CC[N@H+]1CC[C@H](CN(C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045343 546260703 /nfs/dbraw/zinc/26/07/03/546260703.db2.gz DIFIFRBCTZBKRC-MRXNPFEDSA-N 2 1 321.534 3.118 50 0 DGAAMP CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045343 546260709 /nfs/dbraw/zinc/26/07/09/546260709.db2.gz DIFIFRBCTZBKRC-MRXNPFEDSA-N 3 1 321.534 3.118 50 0 DGAAMP CC[N@H+]1CC[C@H](C[NH+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045343 546260714 /nfs/dbraw/zinc/26/07/14/546260714.db2.gz DIFIFRBCTZBKRC-MRXNPFEDSA-N 3 1 321.534 3.118 50 0 DGAAMP CC[NH+]1CC[C@H](C[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045343 546260717 /nfs/dbraw/zinc/26/07/17/546260717.db2.gz DIFIFRBCTZBKRC-MRXNPFEDSA-N 3 1 321.534 3.118 50 0 DGAAMP CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000215045343 546260721 /nfs/dbraw/zinc/26/07/21/546260721.db2.gz DIFIFRBCTZBKRC-MRXNPFEDSA-N 3 1 321.534 3.118 50 0 DGAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000670446613 547756167 /nfs/dbraw/zinc/75/61/67/547756167.db2.gz ULLLOKWYUAISJA-SFHVURJKSA-N 2 1 302.462 3.009 50 0 DGAAMP COc1c(F)cccc1C[N@@H+](C)[C@H]1C[C@H]2C[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001704299435 1202519591 /nfs/dbraw/zinc/51/95/91/1202519591.db2.gz PQZDLVRBNJXMGE-WNKDZCFJSA-N 2 1 320.452 3.385 50 0 DGAAMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000095446902 185367912 /nfs/dbraw/zinc/36/79/12/185367912.db2.gz UECFKMGUVHKAJO-GOSISDBHSA-N 2 1 323.444 3.398 50 0 DGAAMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000095446902 185367913 /nfs/dbraw/zinc/36/79/13/185367913.db2.gz UECFKMGUVHKAJO-GOSISDBHSA-N 2 1 323.444 3.398 50 0 DGAAMP CC(C)n1cc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cn1 ZINC000072161233 191062067 /nfs/dbraw/zinc/06/20/67/191062067.db2.gz RDBSQXTVMWZUHV-ZWKOTPCHSA-N 2 1 304.482 3.160 50 0 DGAAMP CC(C)n1cc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cn1 ZINC000072161233 191062069 /nfs/dbraw/zinc/06/20/69/191062069.db2.gz RDBSQXTVMWZUHV-ZWKOTPCHSA-N 2 1 304.482 3.160 50 0 DGAAMP CC(C)n1cc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000072161233 191062070 /nfs/dbraw/zinc/06/20/70/191062070.db2.gz RDBSQXTVMWZUHV-ZWKOTPCHSA-N 2 1 304.482 3.160 50 0 DGAAMP CC(C)n1cc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000072161233 191062072 /nfs/dbraw/zinc/06/20/72/191062072.db2.gz RDBSQXTVMWZUHV-ZWKOTPCHSA-N 2 1 304.482 3.160 50 0 DGAAMP Cc1n[nH]c(C)c1CCC[N@H+](C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067803140 432040679 /nfs/dbraw/zinc/04/06/79/432040679.db2.gz GJKIEYRCPCENGG-UHFFFAOYSA-N 2 1 306.498 3.200 50 0 DGAAMP COc1ccc(/C=C/C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000067908587 432044735 /nfs/dbraw/zinc/04/47/35/432044735.db2.gz DQUIASMJFKPDSY-MEDHRJKHSA-N 2 1 300.446 3.126 50 0 DGAAMP COc1ccc(/C=C/C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000067908587 432044738 /nfs/dbraw/zinc/04/47/38/432044738.db2.gz DQUIASMJFKPDSY-MEDHRJKHSA-N 2 1 300.446 3.126 50 0 DGAAMP COc1ccc(/C=C/C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000067908587 432044741 /nfs/dbraw/zinc/04/47/41/432044741.db2.gz DQUIASMJFKPDSY-MEDHRJKHSA-N 2 1 300.446 3.126 50 0 DGAAMP COc1ccc(/C=C/C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000067908587 432044744 /nfs/dbraw/zinc/04/47/44/432044744.db2.gz DQUIASMJFKPDSY-MEDHRJKHSA-N 2 1 300.446 3.126 50 0 DGAAMP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180045238 199111085 /nfs/dbraw/zinc/11/10/85/199111085.db2.gz MXPQJPQOQBRLPW-SFHVURJKSA-N 2 1 322.880 3.228 50 0 DGAAMP c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000092004426 193139643 /nfs/dbraw/zinc/13/96/43/193139643.db2.gz WCURNADPPVMTBG-QGZVFWFLSA-N 2 1 319.412 3.105 50 0 DGAAMP C[C@@H]1CC[NH+](CCC[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000249105368 257238148 /nfs/dbraw/zinc/23/81/48/257238148.db2.gz VHESNWDNJSERGI-HUUCEWRRSA-N 2 1 302.553 3.031 50 0 DGAAMP C[N@@H+](CCc1ccccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110293 431528642 /nfs/dbraw/zinc/52/86/42/431528642.db2.gz XSJJLPIDGMSCCV-IBGZPJMESA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccccn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110293 431528648 /nfs/dbraw/zinc/52/86/48/431528648.db2.gz XSJJLPIDGMSCCV-IBGZPJMESA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110293 431528654 /nfs/dbraw/zinc/52/86/54/431528654.db2.gz XSJJLPIDGMSCCV-IBGZPJMESA-N 2 1 309.457 3.078 50 0 DGAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090657716 431893656 /nfs/dbraw/zinc/89/36/56/431893656.db2.gz MSOPXUOKPTWALB-FPAYPSAMSA-N 2 1 318.505 3.107 50 0 DGAAMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000097732422 431974323 /nfs/dbraw/zinc/97/43/23/431974323.db2.gz WFDFQQYPWFARFB-HNNXBMFYSA-N 2 1 304.825 3.043 50 0 DGAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc1O ZINC000055282652 431979020 /nfs/dbraw/zinc/97/90/20/431979020.db2.gz IQLDSINVZVBTOX-DLBZAZTESA-N 2 1 318.461 3.097 50 0 DGAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1O ZINC000055282652 431979023 /nfs/dbraw/zinc/97/90/23/431979023.db2.gz IQLDSINVZVBTOX-DLBZAZTESA-N 2 1 318.461 3.097 50 0 DGAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1O ZINC000055282652 431979026 /nfs/dbraw/zinc/97/90/26/431979026.db2.gz IQLDSINVZVBTOX-DLBZAZTESA-N 2 1 318.461 3.097 50 0 DGAAMP Cc1ccccc1C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000096402786 431945214 /nfs/dbraw/zinc/94/52/14/431945214.db2.gz KMLBFEZWBBGBMM-UHFFFAOYSA-N 2 1 309.457 3.187 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000096476537 431953319 /nfs/dbraw/zinc/95/33/19/431953319.db2.gz NXUZUQOZHLISES-SUMWQHHRSA-N 2 1 311.385 3.158 50 0 DGAAMP Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000102441439 431994941 /nfs/dbraw/zinc/99/49/41/431994941.db2.gz VHIMRJCZYKVBSI-PHZGNYQRSA-N 2 1 317.864 3.369 50 0 DGAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000252499258 432380257 /nfs/dbraw/zinc/38/02/57/432380257.db2.gz RXXZBGSZKHUWKQ-GOSISDBHSA-N 2 1 302.462 3.009 50 0 DGAAMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192775930 432413394 /nfs/dbraw/zinc/41/33/94/432413394.db2.gz AZHXUEHXVXRXBO-SFHVURJKSA-N 2 1 309.542 3.303 50 0 DGAAMP c1ncc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559940 432628245 /nfs/dbraw/zinc/62/82/45/432628245.db2.gz DBWMNLQTOBNVCP-RYQLBKOJSA-N 2 1 313.470 3.143 50 0 DGAAMP c1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559940 432628249 /nfs/dbraw/zinc/62/82/49/432628249.db2.gz DBWMNLQTOBNVCP-RYQLBKOJSA-N 2 1 313.470 3.143 50 0 DGAAMP c1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559940 432628253 /nfs/dbraw/zinc/62/82/53/432628253.db2.gz DBWMNLQTOBNVCP-RYQLBKOJSA-N 2 1 313.470 3.143 50 0 DGAAMP C[C@@H](c1cccnc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280465781 433053945 /nfs/dbraw/zinc/05/39/45/433053945.db2.gz OQZJXRZWAFQTJY-FFZOFVMBSA-N 2 1 307.441 3.206 50 0 DGAAMP C[C@@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280465781 433053948 /nfs/dbraw/zinc/05/39/48/433053948.db2.gz OQZJXRZWAFQTJY-FFZOFVMBSA-N 2 1 307.441 3.206 50 0 DGAAMP C[C@@H](c1cccnc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280465781 433053952 /nfs/dbraw/zinc/05/39/52/433053952.db2.gz OQZJXRZWAFQTJY-FFZOFVMBSA-N 2 1 307.441 3.206 50 0 DGAAMP C[C@@H](c1cccnc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280465781 433053953 /nfs/dbraw/zinc/05/39/53/433053953.db2.gz OQZJXRZWAFQTJY-FFZOFVMBSA-N 2 1 307.441 3.206 50 0 DGAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000426526738 433524553 /nfs/dbraw/zinc/52/45/53/433524553.db2.gz BAOUHULTWXOQCC-IBGZPJMESA-N 2 1 310.441 3.089 50 0 DGAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC000675012969 1083446090 /nfs/dbraw/zinc/44/60/90/1083446090.db2.gz VVVBDXRBBKEFKV-LJQANCHMSA-N 2 1 316.493 3.087 50 0 DGAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC000675012969 1083446096 /nfs/dbraw/zinc/44/60/96/1083446096.db2.gz VVVBDXRBBKEFKV-LJQANCHMSA-N 2 1 316.493 3.087 50 0 DGAAMP C[N@H+](Cc1cc(C[NH+]2CCCCC2)cs1)C[C@@H]1CCOC1 ZINC000823719840 1091698274 /nfs/dbraw/zinc/69/82/74/1091698274.db2.gz OBANPNBQUOICRC-HNNXBMFYSA-N 2 1 308.491 3.202 50 0 DGAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581807028 1092281103 /nfs/dbraw/zinc/28/11/03/1092281103.db2.gz AASSNYPPJATOPS-KRWDZBQOSA-N 2 1 303.450 3.275 50 0 DGAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000581807028 1092281117 /nfs/dbraw/zinc/28/11/17/1092281117.db2.gz AASSNYPPJATOPS-KRWDZBQOSA-N 2 1 303.450 3.275 50 0 DGAAMP CC[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000952882310 1096785893 /nfs/dbraw/zinc/78/58/93/1096785893.db2.gz PHMLNUGMSUHUEH-MJGOQNOKSA-N 2 1 302.462 3.056 50 0 DGAAMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072144865 191050645 /nfs/dbraw/zinc/05/06/45/191050645.db2.gz WRWSNOGTSHXRBU-ZDUSSCGKSA-N 2 1 304.463 3.054 50 0 DGAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072144865 191050647 /nfs/dbraw/zinc/05/06/47/191050647.db2.gz WRWSNOGTSHXRBU-ZDUSSCGKSA-N 2 1 304.463 3.054 50 0 DGAAMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193398923 201046287 /nfs/dbraw/zinc/04/62/87/201046287.db2.gz OBTWTYVNSULZTL-INIZCTEOSA-N 2 1 316.493 3.140 50 0 DGAAMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770227 193303269 /nfs/dbraw/zinc/30/32/69/193303269.db2.gz ZZSYEVOHQYFTQX-HNNXBMFYSA-N 2 1 302.462 3.174 50 0 DGAAMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770227 193303270 /nfs/dbraw/zinc/30/32/70/193303270.db2.gz ZZSYEVOHQYFTQX-HNNXBMFYSA-N 2 1 302.462 3.174 50 0 DGAAMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770227 193303272 /nfs/dbraw/zinc/30/32/72/193303272.db2.gz ZZSYEVOHQYFTQX-HNNXBMFYSA-N 2 1 302.462 3.174 50 0 DGAAMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770227 193303274 /nfs/dbraw/zinc/30/32/74/193303274.db2.gz ZZSYEVOHQYFTQX-HNNXBMFYSA-N 2 1 302.462 3.174 50 0 DGAAMP CCC[NH+]1CCC([N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000019221283 182108336 /nfs/dbraw/zinc/10/83/36/182108336.db2.gz GRHLKIGPQRXNFY-UHFFFAOYSA-N 2 1 301.478 3.073 50 0 DGAAMP Cc1cn2c(C[NH2+]CCC[N@H+]3CCCC[C@@H]3C)c(C)nc2s1 ZINC000078778108 400825720 /nfs/dbraw/zinc/82/57/20/400825720.db2.gz XMLPWAZKZOOGOK-ZDUSSCGKSA-N 2 1 320.506 3.367 50 0 DGAAMP Cc1cn2c(C[NH2+]CCC[N@@H+]3CCCC[C@@H]3C)c(C)nc2s1 ZINC000078778108 400825723 /nfs/dbraw/zinc/82/57/23/400825723.db2.gz XMLPWAZKZOOGOK-ZDUSSCGKSA-N 2 1 320.506 3.367 50 0 DGAAMP C[NH+](C)CCCOc1ccccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071775553 431287405 /nfs/dbraw/zinc/28/74/05/431287405.db2.gz MEEXSOYFPLMKMF-HDICACEKSA-N 2 1 314.473 3.415 50 0 DGAAMP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000071819592 431292833 /nfs/dbraw/zinc/29/28/33/431292833.db2.gz DJRVQTGRQLOAPG-HNNXBMFYSA-N 2 1 312.461 3.382 50 0 DGAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000072162378 431332860 /nfs/dbraw/zinc/33/28/60/431332860.db2.gz LLUFWWCCYODJOB-OAQYLSRUSA-N 2 1 324.468 3.242 50 0 DGAAMP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000077380514 431590378 /nfs/dbraw/zinc/59/03/78/431590378.db2.gz KBKDPCWKRXCKRH-NRFANRHFSA-N 2 1 324.468 3.263 50 0 DGAAMP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000077380514 431590394 /nfs/dbraw/zinc/59/03/94/431590394.db2.gz KBKDPCWKRXCKRH-NRFANRHFSA-N 2 1 324.468 3.263 50 0 DGAAMP COc1ccc2oc(C[N@H+]3CCC[C@@H]3Cn3ccnc3)cc2c1 ZINC000195573499 432627764 /nfs/dbraw/zinc/62/77/64/432627764.db2.gz NLLGOAZKRSPCDJ-OAHLLOKOSA-N 2 1 311.385 3.303 50 0 DGAAMP CC(C)c1nccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000216271266 432649711 /nfs/dbraw/zinc/64/97/11/432649711.db2.gz HDTABCIMTKLMCK-UHFFFAOYSA-N 2 1 312.461 3.294 50 0 DGAAMP CC(C)c1nccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000216271266 432649716 /nfs/dbraw/zinc/64/97/16/432649716.db2.gz HDTABCIMTKLMCK-UHFFFAOYSA-N 2 1 312.461 3.294 50 0 DGAAMP Cc1ccccc1N1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)C1 ZINC000244840255 432823090 /nfs/dbraw/zinc/82/30/90/432823090.db2.gz UJXHNGYTTLFWCK-KURKYZTESA-N 2 1 301.478 3.023 50 0 DGAAMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000163458776 432853490 /nfs/dbraw/zinc/85/34/90/432853490.db2.gz CPFZBVXJBWDCCL-JQWIXIFHSA-N 2 1 304.331 3.417 50 0 DGAAMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000163458776 432853494 /nfs/dbraw/zinc/85/34/94/432853494.db2.gz CPFZBVXJBWDCCL-JQWIXIFHSA-N 2 1 304.331 3.417 50 0 DGAAMP C[C@@H]1C[C@H](NCc2ccc3ccc(F)c(F)c3n2)CC[N@H+]1C ZINC000585118735 547025112 /nfs/dbraw/zinc/02/51/12/547025112.db2.gz ZWOWWRHIGQWEOD-DGCLKSJQSA-N 2 1 305.372 3.085 50 0 DGAAMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCN1C ZINC000585118735 547025115 /nfs/dbraw/zinc/02/51/15/547025115.db2.gz ZWOWWRHIGQWEOD-DGCLKSJQSA-N 2 1 305.372 3.085 50 0 DGAAMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000888099157 618625760 /nfs/dbraw/zinc/62/57/60/618625760.db2.gz WQWVYTNTAGWGKG-HZPDHXFCSA-N 2 1 323.444 3.004 50 0 DGAAMP CC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2CC(C)C)CC1 ZINC000257179850 656098732 /nfs/dbraw/zinc/09/87/32/656098732.db2.gz CZKRQYOPPJWIIX-KRWDZBQOSA-N 2 1 304.482 3.018 50 0 DGAAMP CC[NH+]1CCC([C@H]2c3nccn3CCC[N@@H+]2CC(C)C)CC1 ZINC000257179850 656098735 /nfs/dbraw/zinc/09/87/35/656098735.db2.gz CZKRQYOPPJWIIX-KRWDZBQOSA-N 2 1 304.482 3.018 50 0 DGAAMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000952968437 662208845 /nfs/dbraw/zinc/20/88/45/662208845.db2.gz GXVXXWOQJYIGTM-UHFFFAOYSA-N 2 1 315.461 3.095 50 0 DGAAMP CC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[N@@H+](C)CC ZINC000822554854 1091665135 /nfs/dbraw/zinc/66/51/35/1091665135.db2.gz TWWDBPBJXZRCLV-KRWDZBQOSA-N 2 1 323.525 3.022 50 0 DGAAMP CCc1nccn1C[C@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000823557482 1091694482 /nfs/dbraw/zinc/69/44/82/1091694482.db2.gz RHWOKNIKJFKDBR-KRWDZBQOSA-N 2 1 312.461 3.046 50 0 DGAAMP Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000581806954 1092279667 /nfs/dbraw/zinc/27/96/67/1092279667.db2.gz FIZSXXJPZSMHSK-INIZCTEOSA-N 2 1 310.445 3.376 50 0 DGAAMP Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000581806954 1092279678 /nfs/dbraw/zinc/27/96/78/1092279678.db2.gz FIZSXXJPZSMHSK-INIZCTEOSA-N 2 1 310.445 3.376 50 0 DGAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072473569 191176378 /nfs/dbraw/zinc/17/63/78/191176378.db2.gz OXBNYMVRSXFGDO-IBGZPJMESA-N 2 1 318.505 3.306 50 0 DGAAMP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458005 432031604 /nfs/dbraw/zinc/03/16/04/432031604.db2.gz XRIGDZOUGMEWIL-SFHVURJKSA-N 2 1 312.461 3.036 50 0 DGAAMP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458005 432031606 /nfs/dbraw/zinc/03/16/06/432031606.db2.gz XRIGDZOUGMEWIL-SFHVURJKSA-N 2 1 312.461 3.036 50 0 DGAAMP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458005 432031607 /nfs/dbraw/zinc/03/16/07/432031607.db2.gz XRIGDZOUGMEWIL-SFHVURJKSA-N 2 1 312.461 3.036 50 0 DGAAMP CC[N@@H+]1CCC[C@@H](C[NH+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968479 285228602 /nfs/dbraw/zinc/22/86/02/285228602.db2.gz PWTVCIYPJUHZJG-QGZVFWFLSA-N 2 1 308.441 3.006 50 0 DGAAMP CC[N@H+]1CCC[C@@H](C[NH+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968479 285228605 /nfs/dbraw/zinc/22/86/05/285228605.db2.gz PWTVCIYPJUHZJG-QGZVFWFLSA-N 2 1 308.441 3.006 50 0 DGAAMP CC[NH+]1CCC[C@@H](C[N@H+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968479 285228606 /nfs/dbraw/zinc/22/86/06/285228606.db2.gz PWTVCIYPJUHZJG-QGZVFWFLSA-N 2 1 308.441 3.006 50 0 DGAAMP CC[NH+]1CCC[C@@H](C[N@@H+](CCOC)Cc2ccc(F)cc2)C1 ZINC000218968479 285228607 /nfs/dbraw/zinc/22/86/07/285228607.db2.gz PWTVCIYPJUHZJG-QGZVFWFLSA-N 2 1 308.441 3.006 50 0 DGAAMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000090526337 545828315 /nfs/dbraw/zinc/82/83/15/545828315.db2.gz LZMBKABBWSXSDN-XKQJLSEDSA-N 2 1 308.491 3.167 50 0 DGAAMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCCC3)cc2)C[C@H](C)O1 ZINC000078616588 400814200 /nfs/dbraw/zinc/81/42/00/400814200.db2.gz XNKGQYTYHFAYCZ-IYBDPMFKSA-N 2 1 302.462 3.328 50 0 DGAAMP Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2C)n1 ZINC000071278733 431276399 /nfs/dbraw/zinc/27/63/99/431276399.db2.gz CJFZOYQJEHTXNN-OAHLLOKOSA-N 2 1 323.444 3.172 50 0 DGAAMP Cc1nccn1-c1ccc(C[NH2+]Cc2cc(F)ccc2F)cn1 ZINC000048782584 431932313 /nfs/dbraw/zinc/93/23/13/431932313.db2.gz CXTNURLDRMRJFC-UHFFFAOYSA-N 2 1 314.339 3.144 50 0 DGAAMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000096489057 431953994 /nfs/dbraw/zinc/95/39/94/431953994.db2.gz SWYGZWAMYYFLNK-LBPRGKRZSA-N 2 1 311.267 3.236 50 0 DGAAMP Cc1ncsc1C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000096490052 431954067 /nfs/dbraw/zinc/95/40/67/431954067.db2.gz UJKJWVPBNKZCHZ-UHFFFAOYSA-N 2 1 302.447 3.231 50 0 DGAAMP Cc1ccccc1N1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000248112464 432268286 /nfs/dbraw/zinc/26/82/86/432268286.db2.gz OHUBCRYBWRUENY-HDICACEKSA-N 2 1 301.478 3.025 50 0 DGAAMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495443 432380003 /nfs/dbraw/zinc/38/00/03/432380003.db2.gz OQIOZTYAHAORNP-LJQANCHMSA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495443 432380008 /nfs/dbraw/zinc/38/00/08/432380008.db2.gz OQIOZTYAHAORNP-LJQANCHMSA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495443 432380011 /nfs/dbraw/zinc/38/00/11/432380011.db2.gz OQIOZTYAHAORNP-LJQANCHMSA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495443 432380015 /nfs/dbraw/zinc/38/00/15/432380015.db2.gz OQIOZTYAHAORNP-LJQANCHMSA-N 2 1 314.473 3.154 50 0 DGAAMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCOC4(CCCC4)C3)C2)cc1 ZINC000252495443 432380019 /nfs/dbraw/zinc/38/00/19/432380019.db2.gz OQIOZTYAHAORNP-LJQANCHMSA-N 2 1 314.473 3.154 50 0 DGAAMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1 ZINC000252508530 432381111 /nfs/dbraw/zinc/38/11/11/432381111.db2.gz XOQUXSOYLQOSMM-SFHVURJKSA-N 2 1 323.484 3.482 50 0 DGAAMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1 ZINC000252508529 432381495 /nfs/dbraw/zinc/38/14/95/432381495.db2.gz XOQUXSOYLQOSMM-GOSISDBHSA-N 2 1 323.484 3.482 50 0 DGAAMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)CCO1 ZINC000153464576 432412339 /nfs/dbraw/zinc/41/23/39/432412339.db2.gz MDJFMCXOBMNFLJ-HNNXBMFYSA-N 2 1 314.473 3.186 50 0 DGAAMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)CCO1 ZINC000153464576 432412343 /nfs/dbraw/zinc/41/23/43/432412343.db2.gz MDJFMCXOBMNFLJ-HNNXBMFYSA-N 2 1 314.473 3.186 50 0 DGAAMP Cc1n[nH]c(C)c1CC[N@H+](C)Cc1ccc([C@H](C)[NH+](C)C)cc1 ZINC000215399492 432642064 /nfs/dbraw/zinc/64/20/64/432642064.db2.gz VGLFQGKYPJKYHP-INIZCTEOSA-N 2 1 314.477 3.324 50 0 DGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000215840543 432645425 /nfs/dbraw/zinc/64/54/25/432645425.db2.gz ISGNZFQMCNUICL-QGZVFWFLSA-N 2 1 317.477 3.107 50 0 DGAAMP C[C@H](c1cccc(C[N@@H+](C)Cc2ccc3nonc3c2)c1)[NH+](C)C ZINC000216390621 432649796 /nfs/dbraw/zinc/64/97/96/432649796.db2.gz AAYXVXJGFZYDKD-CQSZACIVSA-N 2 1 324.428 3.477 50 0 DGAAMP c1cnn(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245744382 432859899 /nfs/dbraw/zinc/85/98/99/432859899.db2.gz SFMOXBPUFNNPCM-OWZKRDHZSA-N 2 1 324.472 3.058 50 0 DGAAMP c1nc(C2CC[NH+](C3CCCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000670471187 547759159 /nfs/dbraw/zinc/75/91/59/547759159.db2.gz ZPBWWEOCCLJDNV-UHFFFAOYSA-N 2 1 311.433 3.174 50 0 DGAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C1CSCCSC1 ZINC001506396304 1186220474 /nfs/dbraw/zinc/22/04/74/1186220474.db2.gz GLWNIWWGVSBRIP-UHFFFAOYSA-N 2 1 319.499 3.119 50 0 DGAAMP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000095421519 185360383 /nfs/dbraw/zinc/36/03/83/185360383.db2.gz ZTCDFQMCSSWZIM-NRFANRHFSA-N 2 1 321.468 3.366 50 0 DGAAMP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000095421520 185360598 /nfs/dbraw/zinc/36/05/98/185360598.db2.gz ZTCDFQMCSSWZIM-OAQYLSRUSA-N 2 1 321.468 3.366 50 0 DGAAMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000071682110 191006857 /nfs/dbraw/zinc/00/68/57/191006857.db2.gz UNOXXQXDQAILNJ-HDICACEKSA-N 2 1 300.446 3.025 50 0 DGAAMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072144864 191051148 /nfs/dbraw/zinc/05/11/48/191051148.db2.gz WRWSNOGTSHXRBU-CYBMUJFWSA-N 2 1 304.463 3.054 50 0 DGAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072144864 191051150 /nfs/dbraw/zinc/05/11/50/191051150.db2.gz WRWSNOGTSHXRBU-CYBMUJFWSA-N 2 1 304.463 3.054 50 0 DGAAMP Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)cc1Cl ZINC000067654801 432034687 /nfs/dbraw/zinc/03/46/87/432034687.db2.gz XGFYTTHSVOMOMU-UHFFFAOYSA-N 2 1 308.853 3.401 50 0 DGAAMP CCCn1cc(C2=CC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000067846665 432043640 /nfs/dbraw/zinc/04/36/40/432043640.db2.gz BRCGPGWWAAFBOJ-LJQANCHMSA-N 2 1 316.493 3.257 50 0 DGAAMP CCCn1cc(C2=CC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000067846665 432043644 /nfs/dbraw/zinc/04/36/44/432043644.db2.gz BRCGPGWWAAFBOJ-LJQANCHMSA-N 2 1 316.493 3.257 50 0 DGAAMP CCCn1cc(C2=CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000067846665 432043649 /nfs/dbraw/zinc/04/36/49/432043649.db2.gz BRCGPGWWAAFBOJ-LJQANCHMSA-N 2 1 316.493 3.257 50 0 DGAAMP CCCn1cc(C2=CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000067846665 432043652 /nfs/dbraw/zinc/04/36/52/432043652.db2.gz BRCGPGWWAAFBOJ-LJQANCHMSA-N 2 1 316.493 3.257 50 0 DGAAMP Cc1c(C)n(CC[NH+](C)C)c2nc[nH+]c(NCc3ccccc3)c12 ZINC000006755755 181384116 /nfs/dbraw/zinc/38/41/16/181384116.db2.gz PLEMJYZNPXXFSZ-UHFFFAOYSA-N 2 1 323.444 3.222 50 0 DGAAMP C[N@H+](Cc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000063121425 184271654 /nfs/dbraw/zinc/27/16/54/184271654.db2.gz VEZNRIBKPKMBTL-UHFFFAOYSA-N 2 1 311.267 3.223 50 0 DGAAMP CCc1[nH+]ccn1CCc1nc(C(C)C)nn1-c1cc[nH+]cc1C ZINC000065394049 184334484 /nfs/dbraw/zinc/33/44/84/184334484.db2.gz XIFWOFZEGDTZRU-UHFFFAOYSA-N 2 1 324.432 3.096 50 0 DGAAMP c1ncc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000097372191 400285483 /nfs/dbraw/zinc/28/54/83/400285483.db2.gz DBWMNLQTOBNVCP-JQHSSLGASA-N 2 1 313.470 3.143 50 0 DGAAMP c1ncc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000097372191 400285487 /nfs/dbraw/zinc/28/54/87/400285487.db2.gz DBWMNLQTOBNVCP-JQHSSLGASA-N 2 1 313.470 3.143 50 0 DGAAMP C[C@H]([NH2+]C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192863042 400916657 /nfs/dbraw/zinc/91/66/57/400916657.db2.gz BDUHUYJFDGQVPD-UXDRXVOSSA-N 2 1 315.505 3.331 50 0 DGAAMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCSCC1 ZINC000245287301 401005293 /nfs/dbraw/zinc/00/52/93/401005293.db2.gz BVSOUDSQZHHPBC-CRAIPNDOSA-N 2 1 304.503 3.382 50 0 DGAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCSCC1 ZINC000245287301 401005299 /nfs/dbraw/zinc/00/52/99/401005299.db2.gz BVSOUDSQZHHPBC-CRAIPNDOSA-N 2 1 304.503 3.382 50 0 DGAAMP C[NH+]1CCN(c2cc(-c3ccncc3)[nH+]c3ccccc32)CC1 ZINC000000163647 431135683 /nfs/dbraw/zinc/13/56/83/431135683.db2.gz DBDJNROBPJKNNI-UHFFFAOYSA-N 2 1 304.397 3.049 50 0 DGAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC000012473419 431510615 /nfs/dbraw/zinc/51/06/15/431510615.db2.gz URHSYCWSFSCMLF-IBGZPJMESA-N 2 1 308.510 3.391 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC000012473419 431510621 /nfs/dbraw/zinc/51/06/21/431510621.db2.gz URHSYCWSFSCMLF-IBGZPJMESA-N 2 1 308.510 3.391 50 0 DGAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000012473419 431510629 /nfs/dbraw/zinc/51/06/29/431510629.db2.gz URHSYCWSFSCMLF-IBGZPJMESA-N 2 1 308.510 3.391 50 0 DGAAMP CCC[N@H+]1CCCn2nc(C[NH2+]C3CCCCCC3)cc2C1 ZINC000082106729 431803944 /nfs/dbraw/zinc/80/39/44/431803944.db2.gz IAZFQPLOSFISPD-UHFFFAOYSA-N 2 1 304.482 3.311 50 0 DGAAMP CCOc1cc(C)c(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1C(C)C ZINC000097631935 431972028 /nfs/dbraw/zinc/97/20/28/431972028.db2.gz FZJWKAWMANXESU-KRWDZBQOSA-N 2 1 320.477 3.067 50 0 DGAAMP CCOc1cc(C)c(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1C(C)C ZINC000097631935 431972029 /nfs/dbraw/zinc/97/20/29/431972029.db2.gz FZJWKAWMANXESU-KRWDZBQOSA-N 2 1 320.477 3.067 50 0 DGAAMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000096441778 431950190 /nfs/dbraw/zinc/95/01/90/431950190.db2.gz UYESUYKWKGACMD-HXUWFJFHSA-N 2 1 316.489 3.257 50 0 DGAAMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000096441778 431950191 /nfs/dbraw/zinc/95/01/91/431950191.db2.gz UYESUYKWKGACMD-HXUWFJFHSA-N 2 1 316.489 3.257 50 0 DGAAMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000096441778 431950195 /nfs/dbraw/zinc/95/01/95/431950195.db2.gz UYESUYKWKGACMD-HXUWFJFHSA-N 2 1 316.489 3.257 50 0 DGAAMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000253534269 432399181 /nfs/dbraw/zinc/39/91/81/432399181.db2.gz ROIRRISWIXKVFP-RHSMWYFYSA-N 2 1 313.445 3.245 50 0 DGAAMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000253534269 432399185 /nfs/dbraw/zinc/39/91/85/432399185.db2.gz ROIRRISWIXKVFP-RHSMWYFYSA-N 2 1 313.445 3.245 50 0 DGAAMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000253534269 432399189 /nfs/dbraw/zinc/39/91/89/432399189.db2.gz ROIRRISWIXKVFP-RHSMWYFYSA-N 2 1 313.445 3.245 50 0 DGAAMP C[C@@H](c1ccc(C[N@@H+](C)CCC2(O)CCCC2)cc1)[NH+](C)C ZINC000216353267 432649456 /nfs/dbraw/zinc/64/94/56/432649456.db2.gz UVKITCUTIORQSD-INIZCTEOSA-N 2 1 304.478 3.436 50 0 DGAAMP CCCC[N@H+]1CCn2nc(C[NH2+]C3CCCCCC3)cc2C1 ZINC000299755553 563804290 /nfs/dbraw/zinc/80/42/90/563804290.db2.gz FMWAJTTYVHYQAI-UHFFFAOYSA-N 2 1 304.482 3.311 50 0 DGAAMP C[NH+](C)Cc1ccc(-c2noc(C[N@H+]3CCC(C)(C)C3)n2)cc1 ZINC000888098511 618625351 /nfs/dbraw/zinc/62/53/51/618625351.db2.gz MJZQPTIMNUZNIE-UHFFFAOYSA-N 2 1 314.433 3.030 50 0 DGAAMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000888099158 618625743 /nfs/dbraw/zinc/62/57/43/618625743.db2.gz WQWVYTNTAGWGKG-JKSUJKDBSA-N 2 1 323.444 3.004 50 0 DGAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC000012303240 660527136 /nfs/dbraw/zinc/52/71/36/660527136.db2.gz DRAJOWDAYJXDJI-MVHVFESUSA-N 2 1 314.473 3.134 50 0 DGAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC000012303240 660527137 /nfs/dbraw/zinc/52/71/37/660527137.db2.gz DRAJOWDAYJXDJI-MVHVFESUSA-N 2 1 314.473 3.134 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC000012303240 660527138 /nfs/dbraw/zinc/52/71/38/660527138.db2.gz DRAJOWDAYJXDJI-MVHVFESUSA-N 2 1 314.473 3.134 50 0 DGAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC000012303240 660527139 /nfs/dbraw/zinc/52/71/39/660527139.db2.gz DRAJOWDAYJXDJI-MVHVFESUSA-N 2 1 314.473 3.134 50 0 DGAAMP c1ccc(C[N@@H+]2CCCC[C@H]2CCNCc2cncnc2)cc1 ZINC000952983396 662210382 /nfs/dbraw/zinc/21/03/82/662210382.db2.gz LMNDOLTVCREPKX-IBGZPJMESA-N 2 1 310.445 3.011 50 0 DGAAMP Cc1ccc2c(C)cc(N3C[C@H]4[C@H](C[NH+](C)C)[C@H]4C3)[nH+]c2c1C ZINC001506405758 1186223394 /nfs/dbraw/zinc/22/33/94/1186223394.db2.gz HFYDKPHPWPFZJO-NNZMDNLPSA-N 2 1 309.457 3.404 50 0 DGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1ccc(OC(C)C)cc1 ZINC001506407143 1186223561 /nfs/dbraw/zinc/22/35/61/1186223561.db2.gz ONWPTXDBTHYXKI-MRXNPFEDSA-N 2 1 315.461 3.454 50 0 DGAAMP Cc1cccc(C[N@@H+](CCCn2ccnc2)C[C@H]2CCCO2)c1 ZINC001529126630 1187535184 /nfs/dbraw/zinc/53/51/84/1187535184.db2.gz KKJSOUVPEOPHGH-LJQANCHMSA-N 2 1 313.445 3.263 50 0 DGAAMP C[C@H]([NH2+]C[C@@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000952876931 1096784136 /nfs/dbraw/zinc/78/41/36/1096784136.db2.gz IOQVZBQLKWGGRK-LSDHHAIUSA-N 2 1 306.413 3.345 50 0 DGAAMP CC[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000952882312 1096786498 /nfs/dbraw/zinc/78/64/98/1096786498.db2.gz PHMLNUGMSUHUEH-PKOBYXMFSA-N 2 1 302.462 3.056 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000090454410 185297501 /nfs/dbraw/zinc/29/75/01/185297501.db2.gz LUZUOVSQVPIZKZ-SUMWQHHRSA-N 2 1 321.428 3.112 50 0 DGAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC000072164776 191065808 /nfs/dbraw/zinc/06/58/08/191065808.db2.gz YZRDCLKIXXLUNF-UHFFFAOYSA-N 2 1 317.383 3.381 50 0 DGAAMP C[N@@H+](Cc1ccc(CC[NH3+])cc1)Cc1cccc(-n2cccn2)c1 ZINC000072426332 191159698 /nfs/dbraw/zinc/15/96/98/191159698.db2.gz ZJMLLSAJOKSNBC-UHFFFAOYSA-N 2 1 320.440 3.006 50 0 DGAAMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccc(CC[NH3+])c1 ZINC000072433671 191164478 /nfs/dbraw/zinc/16/44/78/191164478.db2.gz BECWNICBJYSWCW-UHFFFAOYSA-N 2 1 320.440 3.006 50 0 DGAAMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163762760 432041355 /nfs/dbraw/zinc/04/13/55/432041355.db2.gz SUHQRSSOUZSJLN-LLVKDONJSA-N 2 1 304.331 3.405 50 0 DGAAMP Cc1cc(C)n(CCC[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000067788022 432041607 /nfs/dbraw/zinc/04/16/07/432041607.db2.gz ZZHXAODCKMWPJB-UHFFFAOYSA-N 2 1 306.498 3.131 50 0 DGAAMP CCCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1C ZINC000093638681 193278002 /nfs/dbraw/zinc/27/80/02/193278002.db2.gz LTWQWLLWMVYUCR-KSSFIOAISA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1C ZINC000093638681 193278003 /nfs/dbraw/zinc/27/80/03/193278003.db2.gz LTWQWLLWMVYUCR-KSSFIOAISA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1C ZINC000093638681 193278004 /nfs/dbraw/zinc/27/80/04/193278004.db2.gz LTWQWLLWMVYUCR-KSSFIOAISA-N 2 1 306.498 3.072 50 0 DGAAMP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1C ZINC000093638681 193278006 /nfs/dbraw/zinc/27/80/06/193278006.db2.gz LTWQWLLWMVYUCR-KSSFIOAISA-N 2 1 306.498 3.072 50 0 DGAAMP CCN1CCC([N@@H+](C)Cc2ccccc2C[NH+]2CCCC2)CC1 ZINC000065499786 285186567 /nfs/dbraw/zinc/18/65/67/285186567.db2.gz XDNVPPILRJAKGF-UHFFFAOYSA-N 2 1 315.505 3.199 50 0 DGAAMP CC[NH+]1CCC(N(C)Cc2ccccc2C[NH+]2CCCC2)CC1 ZINC000065499786 285186573 /nfs/dbraw/zinc/18/65/73/285186573.db2.gz XDNVPPILRJAKGF-UHFFFAOYSA-N 2 1 315.505 3.199 50 0 DGAAMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C[NH+]2CCCC2)CC1 ZINC000065499786 285186574 /nfs/dbraw/zinc/18/65/74/285186574.db2.gz XDNVPPILRJAKGF-UHFFFAOYSA-N 3 1 315.505 3.199 50 0 DGAAMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C[NH+]2CCCC2)CC1 ZINC000065499786 285186581 /nfs/dbraw/zinc/18/65/81/285186581.db2.gz XDNVPPILRJAKGF-UHFFFAOYSA-N 3 1 315.505 3.199 50 0 DGAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOc2cccnc2)cc1 ZINC000169042186 400758199 /nfs/dbraw/zinc/75/81/99/400758199.db2.gz UMOIHDULERYXEF-HNNXBMFYSA-N 2 1 322.412 3.305 50 0 DGAAMP Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)c1 ZINC000252482637 401095081 /nfs/dbraw/zinc/09/50/81/401095081.db2.gz DLMIIRSIVIZMFX-IBGZPJMESA-N 2 1 300.446 3.242 50 0 DGAAMP FC(F)(F)Oc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000071794742 431289615 /nfs/dbraw/zinc/28/96/15/431289615.db2.gz RYYBCSQHQICUCX-UHFFFAOYSA-N 2 1 314.351 3.302 50 0 DGAAMP C[N@@H+](CCc1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110167 431526732 /nfs/dbraw/zinc/52/67/32/431526732.db2.gz WUHWNIFQFSHNLG-FQEVSTJZSA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110167 431526736 /nfs/dbraw/zinc/52/67/36/431526736.db2.gz WUHWNIFQFSHNLG-FQEVSTJZSA-N 2 1 309.457 3.078 50 0 DGAAMP C[NH+](CCc1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110167 431526742 /nfs/dbraw/zinc/52/67/42/431526742.db2.gz WUHWNIFQFSHNLG-FQEVSTJZSA-N 2 1 309.457 3.078 50 0 DGAAMP CC(C)[NH+]1CCC(C[N@H+](CCN(C)C)Cc2ccsc2)CC1 ZINC000055243540 431978407 /nfs/dbraw/zinc/97/84/07/431978407.db2.gz BJMVXSQNAPEYJP-UHFFFAOYSA-N 2 1 323.550 3.232 50 0 DGAAMP CC(C)[NH+]1CCC(C[N@@H+](CCN(C)C)Cc2ccsc2)CC1 ZINC000055243540 431978409 /nfs/dbraw/zinc/97/84/09/431978409.db2.gz BJMVXSQNAPEYJP-UHFFFAOYSA-N 2 1 323.550 3.232 50 0 DGAAMP CCc1cnc(CC[NH2+]C2CC[NH+](CC=C(C)C)CC2)s1 ZINC000095968697 431929666 /nfs/dbraw/zinc/92/96/66/431929666.db2.gz GJTNNNZQODLOTI-UHFFFAOYSA-N 2 1 307.507 3.268 50 0 DGAAMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000096476448 431952700 /nfs/dbraw/zinc/95/27/00/431952700.db2.gz JPQVWJZPRHVWLA-SFHVURJKSA-N 2 1 302.487 3.233 50 0 DGAAMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000096478992 431952848 /nfs/dbraw/zinc/95/28/48/431952848.db2.gz PCDJULUULMYVNJ-FQEVSTJZSA-N 2 1 316.489 3.023 50 0 DGAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000102792121 431998282 /nfs/dbraw/zinc/99/82/82/431998282.db2.gz NISPLMRDUMSDMG-FOLVSLTJSA-N 2 1 310.388 3.060 50 0 DGAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000102792121 431998283 /nfs/dbraw/zinc/99/82/83/431998283.db2.gz NISPLMRDUMSDMG-FOLVSLTJSA-N 2 1 310.388 3.060 50 0 DGAAMP C[N@@H+](CCC1(O)CCCC1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215431959 432643375 /nfs/dbraw/zinc/64/33/75/432643375.db2.gz FWEQDEPTIGRETB-UHFFFAOYSA-N 2 1 322.518 3.471 50 0 DGAAMP COCC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000952967193 662208954 /nfs/dbraw/zinc/20/89/54/662208954.db2.gz ZIWVSCPILXVFEU-HNNXBMFYSA-N 2 1 310.869 3.096 50 0 DGAAMP C[C@@H](C[N@@H+](C)Cc1cc2ccccc2[nH]c1=O)C[NH+]1CCCC1 ZINC001506428804 1186228045 /nfs/dbraw/zinc/22/80/45/1186228045.db2.gz ZDECHDRHTDGHMV-HNNXBMFYSA-N 2 1 313.445 3.104 50 0 DGAAMP