smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160456965 815625294 /nfs/dbraw/zinc/62/52/94/815625294.db2.gz WKQACJMCNMBYKO-LBPRGKRZSA-N 2 3 266.389 -0.747 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC001160511376 815630964 /nfs/dbraw/zinc/63/09/64/815630964.db2.gz OBALZEWOCFNRQH-LBPRGKRZSA-N 2 3 256.394 -0.005 20 0 CBADHP [NH2+]=C(NCCCC[NH3+])Nc1ncc2c(n1)CCNC2 ZINC001157094231 815404052 /nfs/dbraw/zinc/40/40/52/815404052.db2.gz NYMJQYKXLLHLSQ-UHFFFAOYSA-N 2 3 263.349 -0.203 20 0 CBADHP CN(C[C@@H]1CNCCO1)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001157715854 815455649 /nfs/dbraw/zinc/45/56/49/815455649.db2.gz JSRCZTRKGUFVTD-STQMWFEESA-N 2 3 286.420 -0.508 20 0 CBADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157844913 815470390 /nfs/dbraw/zinc/47/03/90/815470390.db2.gz YIVDLYAJVDFKOS-WXHSDQCUSA-N 2 3 268.405 -0.101 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158083212 815503077 /nfs/dbraw/zinc/50/30/77/815503077.db2.gz YTGUIDRKFSCLHQ-NSHDSACASA-N 2 3 254.378 -0.218 20 0 CBADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199226 815512610 /nfs/dbraw/zinc/51/26/10/815512610.db2.gz QGNLKEHMDQIFBY-YNEHKIRRSA-N 2 3 278.400 -0.177 20 0 CBADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199226 815512617 /nfs/dbraw/zinc/51/26/17/815512617.db2.gz QGNLKEHMDQIFBY-YNEHKIRRSA-N 2 3 278.400 -0.177 20 0 CBADHP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158306227 815519184 /nfs/dbraw/zinc/51/91/84/815519184.db2.gz PNZUTEZTGXTQBQ-FMCLSXCISA-N 2 3 264.373 -0.994 20 0 CBADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]2CF)CC1 ZINC001158569089 815537882 /nfs/dbraw/zinc/53/78/82/815537882.db2.gz VSUOJLNQOJNJCR-GRYCIOLGSA-N 2 3 296.390 -0.669 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579599 815539578 /nfs/dbraw/zinc/53/95/78/815539578.db2.gz VPTWHOWDVLJGNX-UTUOFQBUSA-N 2 3 286.395 -0.022 20 0 CBADHP C[NH2+]CC1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160458764 815625097 /nfs/dbraw/zinc/62/50/97/815625097.db2.gz DCXYSRQCQLOUBE-NSHDSACASA-N 2 3 274.434 -0.536 20 0 CBADHP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1F ZINC001160649744 815651360 /nfs/dbraw/zinc/65/13/60/815651360.db2.gz MFOCZGFWPNVWSG-LSCVPOLPSA-N 2 3 270.352 -0.917 20 0 CBADHP N[C@H](C(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970683 815693411 /nfs/dbraw/zinc/69/34/11/815693411.db2.gz AFZVHMGQCJZTPC-ZJUUUORDSA-N 2 3 276.331 -0.492 20 0 CBADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161049226 815703181 /nfs/dbraw/zinc/70/31/81/815703181.db2.gz DHCIQKOMOFOTPQ-NEPJUHHUSA-N 2 3 256.394 -0.006 20 0 CBADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161049226 815703185 /nfs/dbraw/zinc/70/31/85/815703185.db2.gz DHCIQKOMOFOTPQ-NEPJUHHUSA-N 2 3 256.394 -0.006 20 0 CBADHP CN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062505 815705819 /nfs/dbraw/zinc/70/58/19/815705819.db2.gz KPOUEDIPFZIMDJ-DCAQKATOSA-N 2 3 274.434 -0.266 20 0 CBADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001161175435 815724180 /nfs/dbraw/zinc/72/41/80/815724180.db2.gz LWVVJMTWMXTEGI-MJBXVCDLSA-N 2 3 292.427 -0.404 20 0 CBADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001161175435 815724186 /nfs/dbraw/zinc/72/41/86/815724186.db2.gz LWVVJMTWMXTEGI-MJBXVCDLSA-N 2 3 292.427 -0.404 20 0 CBADHP C[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@H](C)N1 ZINC001161229774 815729698 /nfs/dbraw/zinc/72/96/98/815729698.db2.gz VELPTVBRCIPTRL-JBLDHEPKSA-N 2 3 254.378 -0.478 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378898 815749226 /nfs/dbraw/zinc/74/92/26/815749226.db2.gz NXTAYUSHXCVZMF-OLZOCXBDSA-N 2 3 283.420 -0.923 20 0 CBADHP N[C@H](C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411858 815752071 /nfs/dbraw/zinc/75/20/71/815752071.db2.gz BPIIGZQDTZEXJL-XQHKEYJVSA-N 2 3 266.389 -0.491 20 0 CBADHP N=C(NCCCC[NH3+])Nc1nccc(C2C[NH2+]C2)n1 ZINC001167880305 820125113 /nfs/dbraw/zinc/12/51/13/820125113.db2.gz HCZCCBCDAAWKRK-UHFFFAOYSA-N 2 3 263.349 -0.161 20 0 CBADHP [NH3+]C[C@@]1(O)CCCN(Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205220569 824376566 /nfs/dbraw/zinc/37/65/66/824376566.db2.gz LNKWBIRQEHQCDO-OAHLLOKOSA-N 2 3 293.415 -0.296 20 0 CBADHP N[C@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)C1CC[NH2+]CC1 ZINC001218640577 824612909 /nfs/dbraw/zinc/61/29/09/824612909.db2.gz KARDXJOPIAQFCT-LBPRGKRZSA-N 2 3 278.360 -0.707 20 0 CBADHP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219610818 824854539 /nfs/dbraw/zinc/85/45/39/824854539.db2.gz RZSZEUQHAQIVNU-LDYMZIIASA-N 2 3 292.305 -0.794 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219651676 824875441 /nfs/dbraw/zinc/87/54/41/824875441.db2.gz XKONCHSHMXAEJK-DCAQKATOSA-N 2 3 274.434 -0.633 20 0 CBADHP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CC12CNC2 ZINC001219772813 824891609 /nfs/dbraw/zinc/89/16/09/824891609.db2.gz ASCVBCILQTXNHV-GFCCVEGCSA-N 2 3 278.400 -0.556 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777165 824892868 /nfs/dbraw/zinc/89/28/68/824892868.db2.gz ASYKAYUPKZZSRQ-NSHDSACASA-N 2 3 286.445 -0.346 20 0 CBADHP C[NH+](C)CCCCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219918436 824915378 /nfs/dbraw/zinc/91/53/78/824915378.db2.gz LXIXWYDDZYWDEU-GFCCVEGCSA-N 2 3 268.405 -0.357 20 0 CBADHP N=c1sc2c(n1C(=O)[C@@H](N)CCC[NH3+])CC[C@H]([NH3+])C2 ZINC001220023358 824937354 /nfs/dbraw/zinc/93/73/54/824937354.db2.gz WBTKQVYLNPNTOX-YUMQZZPRSA-N 2 3 283.401 -0.449 20 0 CBADHP N=c1sc2c(n1C(=O)[C@H](N)CCC[NH3+])CC[C@H]([NH3+])C2 ZINC001220023357 824937861 /nfs/dbraw/zinc/93/78/61/824937861.db2.gz WBTKQVYLNPNTOX-JGVFFNPUSA-N 2 3 283.401 -0.449 20 0 CBADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220254779 824997839 /nfs/dbraw/zinc/99/78/39/824997839.db2.gz XCADZZGCSDDFKE-MNOVXSKESA-N 2 3 274.434 -0.394 20 0 CBADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220254779 824997842 /nfs/dbraw/zinc/99/78/42/824997842.db2.gz XCADZZGCSDDFKE-MNOVXSKESA-N 2 3 274.434 -0.394 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316171 825013215 /nfs/dbraw/zinc/01/32/15/825013215.db2.gz MWERMXUBNRJTQK-GMXVVIOVSA-N 2 3 270.377 -0.920 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502004 825052064 /nfs/dbraw/zinc/05/20/64/825052064.db2.gz XHQMXLPOLPLPRV-NEPJUHHUSA-N 2 3 282.413 -0.178 20 0 CBADHP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220499992 825052106 /nfs/dbraw/zinc/05/21/06/825052106.db2.gz GEBLDINUWHSWPA-QWHCGFSZSA-N 2 3 274.368 -0.388 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775306 825101352 /nfs/dbraw/zinc/10/13/52/825101352.db2.gz RJKRHDMRMRZAIW-RTXFEEFZSA-N 2 3 254.378 -0.027 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800642 825104114 /nfs/dbraw/zinc/10/41/14/825104114.db2.gz SLRXOEPTPGJRMR-XHNCKOQMSA-N 2 3 282.310 -0.291 20 0 CBADHP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220884406 825120053 /nfs/dbraw/zinc/12/00/53/825120053.db2.gz BMNOGNBSGJTFTN-NQBHXWOUSA-N 2 3 252.362 -0.946 20 0 CBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220937670 825126819 /nfs/dbraw/zinc/12/68/19/825126819.db2.gz XHAHXRYQDHEQMH-CHWSQXEVSA-N 2 3 296.415 -0.645 20 0 CBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220937670 825126823 /nfs/dbraw/zinc/12/68/23/825126823.db2.gz XHAHXRYQDHEQMH-CHWSQXEVSA-N 2 3 296.415 -0.645 20 0 CBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220937671 825127654 /nfs/dbraw/zinc/12/76/54/825127654.db2.gz XHAHXRYQDHEQMH-OLZOCXBDSA-N 2 3 296.415 -0.645 20 0 CBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220937671 825127665 /nfs/dbraw/zinc/12/76/65/825127665.db2.gz XHAHXRYQDHEQMH-OLZOCXBDSA-N 2 3 296.415 -0.645 20 0 CBADHP COCCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001221134172 825146482 /nfs/dbraw/zinc/14/64/82/825146482.db2.gz ODZKONSIYVERAG-GFCCVEGCSA-N 2 3 296.415 -0.848 20 0 CBADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(N)CC[NH2+]CC1 ZINC001221387981 825179643 /nfs/dbraw/zinc/17/96/43/825179643.db2.gz AFGKRAUCKCNUKA-UHFFFAOYSA-N 2 3 284.408 -0.869 20 0 CBADHP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221396810 825181503 /nfs/dbraw/zinc/18/15/03/825181503.db2.gz BMQLXIDYQPCCSO-UONOGXRCSA-N 2 3 276.384 -0.117 20 0 CBADHP NC1(C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CCCC1 ZINC001245977743 825616360 /nfs/dbraw/zinc/61/63/60/825616360.db2.gz ZQHYPHBTEFBQTO-LBPRGKRZSA-N 2 3 271.405 -0.287 20 0 CBADHP NC1(C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CCCC1 ZINC001245977742 825616993 /nfs/dbraw/zinc/61/69/93/825616993.db2.gz ZQHYPHBTEFBQTO-GFCCVEGCSA-N 2 3 271.405 -0.287 20 0 CBADHP C[C@@H]1[NH2+]CCC[C@H]1CNC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983187 825618458 /nfs/dbraw/zinc/61/84/58/825618458.db2.gz NKPNVTXAPACIDG-MELADBBJSA-N 2 3 285.432 -0.170 20 0 CBADHP NC[C@]1(O)CCCC[N@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024793 825623799 /nfs/dbraw/zinc/62/37/99/825623799.db2.gz RDOCTYLZBNSQBE-CYBMUJFWSA-N 2 3 257.378 -0.723 20 0 CBADHP NC[C@]1(O)CCCC[N@@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024793 825623802 /nfs/dbraw/zinc/62/38/02/825623802.db2.gz RDOCTYLZBNSQBE-CYBMUJFWSA-N 2 3 257.378 -0.723 20 0 CBADHP [NH3+]C[C@H]1CCCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032079 825628148 /nfs/dbraw/zinc/62/81/48/825628148.db2.gz JAGXBSJJFLEVTD-KGLIPLIRSA-N 2 3 285.432 -0.087 20 0 CBADHP O[C@@]1(C[NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNC[C@@H]1F ZINC001246079873 825633578 /nfs/dbraw/zinc/63/35/78/825633578.db2.gz FRJGRUGSQANSHH-FPYNETTCSA-N 2 3 257.353 -0.364 20 0 CBADHP O[C@@]1(C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246079375 825633836 /nfs/dbraw/zinc/63/38/36/825633836.db2.gz DXNHRWCLRYBHLM-GMXVVIOVSA-N 2 3 257.353 -0.219 20 0 CBADHP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141139 825639861 /nfs/dbraw/zinc/63/98/61/825639861.db2.gz COHMVANPWXOSMU-MCIONIFRSA-N 2 3 269.389 -0.277 20 0 CBADHP C([NH2+]C1CCNCC1)[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141049 825640146 /nfs/dbraw/zinc/64/01/46/825640146.db2.gz CGMBBHJJVOLHQO-JSGCOSHPSA-N 2 3 269.389 -0.277 20 0 CBADHP F[C@@H]1CCNC[C@@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220726 825653014 /nfs/dbraw/zinc/65/30/14/825653014.db2.gz HQMTWHACNWKQKU-IJLUTSLNSA-N 2 3 256.369 -0.382 20 0 CBADHP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCN(C(=O)CN)C1 ZINC001330196698 886384100 /nfs/dbraw/zinc/38/41/00/886384100.db2.gz AXIHLPWYKBISHI-LBPRGKRZSA-N 2 3 272.393 -0.909 20 0 CBADHP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCN(C(=O)CN)C1 ZINC001330196698 886384116 /nfs/dbraw/zinc/38/41/16/886384116.db2.gz AXIHLPWYKBISHI-LBPRGKRZSA-N 2 3 272.393 -0.909 20 0 CBADHP C[N@H+](CCOCC[NH3+])C[C@H]1CCCN(C(=O)CN)C1 ZINC001330196697 886385251 /nfs/dbraw/zinc/38/52/51/886385251.db2.gz AXIHLPWYKBISHI-GFCCVEGCSA-N 2 3 272.393 -0.909 20 0 CBADHP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCN(C(=O)CN)C1 ZINC001330196697 886385265 /nfs/dbraw/zinc/38/52/65/886385265.db2.gz AXIHLPWYKBISHI-GFCCVEGCSA-N 2 3 272.393 -0.909 20 0 CBADHP [NH3+][C@@H]1CCO[C@H]1C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001339915152 889344375 /nfs/dbraw/zinc/34/43/75/889344375.db2.gz RJDWGTZTMZWYHD-NDKCEZKHSA-N 2 3 269.389 -0.335 20 0 CBADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550935060 923755902 /nfs/dbraw/zinc/75/59/02/923755902.db2.gz PBVJGFGIIXVVGZ-JHJVBQTASA-N 2 3 251.374 -0.094 20 0 CBADHP [NH3+][C@@H]1C[C@@H](O)[C@H](N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001550934964 923756124 /nfs/dbraw/zinc/75/61/24/923756124.db2.gz OMUOJYJMVWTUSQ-RBRCJPGISA-N 2 3 294.443 -0.262 20 0 CBADHP N[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073208 354556066 /nfs/dbraw/zinc/55/60/66/354556066.db2.gz NGLPWLZERHLINK-VXGBXAGGSA-N 2 3 252.362 -0.770 20 0 CBADHP N[C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073208 354556069 /nfs/dbraw/zinc/55/60/69/354556069.db2.gz NGLPWLZERHLINK-VXGBXAGGSA-N 2 3 252.362 -0.770 20 0 CBADHP [NH3+]CCOCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584598419 355032723 /nfs/dbraw/zinc/03/27/23/355032723.db2.gz HUMQPZCFQJHFTF-KBPBESRZSA-N 2 3 298.431 -0.458 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000596106137 355344093 /nfs/dbraw/zinc/34/40/93/355344093.db2.gz PQPNPZLXTRWLCL-LPWJVIDDSA-N 2 3 266.389 -0.524 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000596106137 355344096 /nfs/dbraw/zinc/34/40/96/355344096.db2.gz PQPNPZLXTRWLCL-LPWJVIDDSA-N 2 3 266.389 -0.524 20 0 CBADHP C[C@@H]([NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000641412962 357702057 /nfs/dbraw/zinc/70/20/57/357702057.db2.gz CQFDWPOTILWHFZ-LLVKDONJSA-N 2 3 259.398 -0.532 20 0 CBADHP N[C@@H]1C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073206 295326277 /nfs/dbraw/zinc/32/62/77/295326277.db2.gz NGLPWLZERHLINK-NWDGAFQWSA-N 2 3 252.362 -0.770 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662242024 419558599 /nfs/dbraw/zinc/55/85/99/419558599.db2.gz AQRATRKZHQWSBT-OLZOCXBDSA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662242024 419558609 /nfs/dbraw/zinc/55/86/09/419558609.db2.gz AQRATRKZHQWSBT-OLZOCXBDSA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542308 419606299 /nfs/dbraw/zinc/60/62/99/419606299.db2.gz OGUBTHNPDAYHLJ-MGPQQGTHSA-N 2 3 280.416 -0.133 20 0 CBADHP N[C@@H]1C[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073206 295326275 /nfs/dbraw/zinc/32/62/75/295326275.db2.gz NGLPWLZERHLINK-NWDGAFQWSA-N 2 3 252.362 -0.770 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582312537 328959379 /nfs/dbraw/zinc/95/93/79/328959379.db2.gz AYOJJKZIKSGDIJ-LBPRGKRZSA-N 2 3 271.409 -0.517 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000564969465 327289744 /nfs/dbraw/zinc/28/97/44/327289744.db2.gz XUSUXRPVRRQZHQ-STQMWFEESA-N 2 3 268.405 -0.227 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH3+] ZINC000562817778 327516634 /nfs/dbraw/zinc/51/66/34/327516634.db2.gz AQYLYNPEHRCBEJ-UHFFFAOYSA-N 2 3 273.425 -0.142 20 0 CBADHP C[C@@H](C[NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569698487 327537246 /nfs/dbraw/zinc/53/72/46/327537246.db2.gz CTGRSEIPUDPFNF-LBPRGKRZSA-N 2 3 273.425 -0.284 20 0 CBADHP [NH3+][C@@H]1CCC[C@@H]2CN(CCN3CC[NH2+]CC3)C[C@@H]21 ZINC000583084309 329311936 /nfs/dbraw/zinc/31/19/36/329311936.db2.gz LXOPWGPBSRQXJH-HZSPNIEDSA-N 2 3 252.406 -0.049 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711468 583928097 /nfs/dbraw/zinc/92/80/97/583928097.db2.gz LIUCQOIXWBJLGE-RFQIPJPRSA-N 2 3 294.399 -0.147 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711468 583928098 /nfs/dbraw/zinc/92/80/98/583928098.db2.gz LIUCQOIXWBJLGE-RFQIPJPRSA-N 2 3 294.399 -0.147 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711469 583928180 /nfs/dbraw/zinc/92/81/80/583928180.db2.gz LIUCQOIXWBJLGE-XDQVBPFNSA-N 2 3 294.399 -0.147 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866711469 583928182 /nfs/dbraw/zinc/92/81/82/583928182.db2.gz LIUCQOIXWBJLGE-XDQVBPFNSA-N 2 3 294.399 -0.147 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000903422444 584890254 /nfs/dbraw/zinc/89/02/54/584890254.db2.gz CYJOLQWDKJKPOY-AGIUHOORSA-N 2 3 268.405 -0.371 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000903422445 584890302 /nfs/dbraw/zinc/89/03/02/584890302.db2.gz CYJOLQWDKJKPOY-UPJWGTAASA-N 2 3 268.405 -0.371 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000903490629 584891762 /nfs/dbraw/zinc/89/17/62/584891762.db2.gz AONVLEARFHKLQA-FMSGJZPZSA-N 2 3 267.373 -0.192 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716843 584895558 /nfs/dbraw/zinc/89/55/58/584895558.db2.gz UUPQRYWKNQBTGF-HNNXBMFYSA-N 2 3 296.459 -0.018 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716845 584895718 /nfs/dbraw/zinc/89/57/18/584895718.db2.gz UUPQRYWKNQBTGF-OAHLLOKOSA-N 2 3 296.459 -0.018 20 0 CBADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515963 658313607 /nfs/dbraw/zinc/31/36/07/658313607.db2.gz PBVJGFGIIXVVGZ-YNEHKIRRSA-N 2 3 251.374 -0.094 20 0 CBADHP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157739078 815460359 /nfs/dbraw/zinc/46/03/59/815460359.db2.gz FABKTSSMSIBXOA-BPLDGKMQSA-N 2 3 298.406 -0.135 20 0 CBADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157843255 815470695 /nfs/dbraw/zinc/47/06/95/815470695.db2.gz PUOHJXIWIHWWCT-RGCMKSIDSA-N 2 3 280.416 -0.229 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070628 815500609 /nfs/dbraw/zinc/50/06/09/815500609.db2.gz LIMBTBDIMKECKX-NSHDSACASA-N 2 3 270.377 -0.966 20 0 CBADHP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158187220 815510269 /nfs/dbraw/zinc/51/02/69/815510269.db2.gz OQDYGVLJKAQFSG-JNOYHGBFSA-N 2 3 264.373 -0.865 20 0 CBADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160453884 815623684 /nfs/dbraw/zinc/62/36/84/815623684.db2.gz DVSKULVLPGSPGA-ZDUSSCGKSA-N 2 3 280.416 -0.404 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643945 815650389 /nfs/dbraw/zinc/65/03/89/815650389.db2.gz QRMANWQECUMKBW-RYUDHWBXSA-N 2 3 272.393 -0.768 20 0 CBADHP CN(CC[NH+]1CCCC1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160687461 815657354 /nfs/dbraw/zinc/65/73/54/815657354.db2.gz DZYHSVRWTXNBFQ-CYBMUJFWSA-N 2 3 268.405 -0.133 20 0 CBADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160695442 815659333 /nfs/dbraw/zinc/65/93/33/815659333.db2.gz LNTQLHADBAHLJG-NEPJUHHUSA-N 2 3 256.394 -0.099 20 0 CBADHP N[C@@H](C(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970671 815692349 /nfs/dbraw/zinc/69/23/49/815692349.db2.gz AFZVHMGQCJZTPC-NXEZZACHSA-N 2 3 276.331 -0.492 20 0 CBADHP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC(F)(F)C1 ZINC001160969306 815693390 /nfs/dbraw/zinc/69/33/90/815693390.db2.gz ZJPWLODCHIOOAX-CKYFFXLPSA-N 2 3 288.342 -0.620 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001668 815694399 /nfs/dbraw/zinc/69/43/99/815694399.db2.gz ZEXHSDWAAXJFPH-RYUDHWBXSA-N 2 3 284.404 -0.842 20 0 CBADHP CN(C(=O)[C@H]1C[NH2+]CC12CNC2)C1(C)CC[NH2+]CC1 ZINC001161067611 815707339 /nfs/dbraw/zinc/70/73/39/815707339.db2.gz KDOHRHVNXJDYCY-LLVKDONJSA-N 2 3 266.389 -0.604 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001161081139 815709776 /nfs/dbraw/zinc/70/97/76/815709776.db2.gz FVQMJSDBJACPQN-AGIUHOORSA-N 2 3 268.405 -0.005 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081631 815710330 /nfs/dbraw/zinc/71/03/30/815710330.db2.gz LDKYGKXGRXBHBC-HZSPNIEDSA-N 2 3 280.416 -0.134 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161229250 815730582 /nfs/dbraw/zinc/73/05/82/815730582.db2.gz GRYUTYYYITZFQT-SRVKXCTJSA-N 2 3 256.394 -0.088 20 0 CBADHP CC(C)N(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H]1CC[NH2+]C1 ZINC001161352391 815746011 /nfs/dbraw/zinc/74/60/11/815746011.db2.gz VRAQCEWYGWSDRC-RYUDHWBXSA-N 2 3 266.389 -0.606 20 0 CBADHP CC(C)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161353790 815747653 /nfs/dbraw/zinc/74/76/53/815747653.db2.gz ZSRPOISLACLHPQ-STQMWFEESA-N 2 3 268.405 -0.088 20 0 CBADHP N[C@@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411856 815752103 /nfs/dbraw/zinc/75/21/03/815752103.db2.gz BPIIGZQDTZEXJL-FDYHWXHSSA-N 2 3 266.389 -0.491 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414462 815752754 /nfs/dbraw/zinc/75/27/54/815752754.db2.gz XCSUHAPZMXZPOV-ZDCRXTMVSA-N 2 3 272.418 -0.799 20 0 CBADHP C[NH+](C)CCN(C(=O)C1(N)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161446830 815756203 /nfs/dbraw/zinc/75/62/03/815756203.db2.gz VFENOWRPVKNNRO-LLVKDONJSA-N 2 3 254.378 -0.380 20 0 CBADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161489530 815761881 /nfs/dbraw/zinc/76/18/81/815761881.db2.gz UOSWICLEQOHPMR-OCCSQVGLSA-N 2 3 268.405 -0.099 20 0 CBADHP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219610814 824854101 /nfs/dbraw/zinc/85/41/01/824854101.db2.gz RZSZEUQHAQIVNU-GZMMTYOYSA-N 2 3 292.305 -0.794 20 0 CBADHP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219768713 824892369 /nfs/dbraw/zinc/89/23/69/824892369.db2.gz PLQUFNWIJWCNEO-MFKMUULPSA-N 2 3 270.352 -0.997 20 0 CBADHP N[C@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219777797 824893861 /nfs/dbraw/zinc/89/38/61/824893861.db2.gz QSAOGZSWUFHHRB-ZDUSSCGKSA-N 2 3 280.416 -0.038 20 0 CBADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219978984 824928805 /nfs/dbraw/zinc/92/88/05/824928805.db2.gz XHLAGFXOHDLHRD-OLZOCXBDSA-N 2 3 280.416 -0.357 20 0 CBADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219978984 824928812 /nfs/dbraw/zinc/92/88/12/824928812.db2.gz XHLAGFXOHDLHRD-OLZOCXBDSA-N 2 3 280.416 -0.357 20 0 CBADHP N=c1cc(C[NH3+])ccn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220044971 824941893 /nfs/dbraw/zinc/94/18/93/824941893.db2.gz GQCYNBNHGICFCI-BXUZGUMPSA-N 2 3 275.356 -0.734 20 0 CBADHP [NH3+][C@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001220150024 824969824 /nfs/dbraw/zinc/96/98/24/824969824.db2.gz NHIWGPQXGREQAK-HNCHTBHHSA-N 2 3 252.362 -0.961 20 0 CBADHP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220161249 824974672 /nfs/dbraw/zinc/97/46/72/824974672.db2.gz AXNYQMBTFLMWBC-NFAWXSAZSA-N 2 3 292.427 -0.166 20 0 CBADHP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220254214 824996107 /nfs/dbraw/zinc/99/61/07/824996107.db2.gz NMZKRZVXCRMFSI-JTQLQIEISA-N 2 3 276.450 -0.290 20 0 CBADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220252025 824996216 /nfs/dbraw/zinc/99/62/16/824996216.db2.gz LUJJLOLOERRUMP-VXGBXAGGSA-N 2 3 266.389 -0.604 20 0 CBADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220252025 824996218 /nfs/dbraw/zinc/99/62/18/824996218.db2.gz LUJJLOLOERRUMP-VXGBXAGGSA-N 2 3 266.389 -0.604 20 0 CBADHP N[C@H](C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319148 825013279 /nfs/dbraw/zinc/01/32/79/825013279.db2.gz DIPINENMSIWVRQ-VNHYZAJKSA-N 2 3 296.415 -0.659 20 0 CBADHP [NH3+][C@@H](CNC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220499993 825052679 /nfs/dbraw/zinc/05/26/79/825052679.db2.gz GEBLDINUWHSWPA-STQMWFEESA-N 2 3 274.368 -0.388 20 0 CBADHP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220678485 825083870 /nfs/dbraw/zinc/08/38/70/825083870.db2.gz AUHUUSNUWSIQLM-LOWDOPEQSA-N 2 3 278.400 -0.415 20 0 CBADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220857925 825114299 /nfs/dbraw/zinc/11/42/99/825114299.db2.gz YHDGCNROLVJZEP-ZJUUUORDSA-N 2 3 254.378 -0.715 20 0 CBADHP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220884460 825119539 /nfs/dbraw/zinc/11/95/39/825119539.db2.gz CPZPQBLHKFWUCA-RYUDHWBXSA-N 2 3 266.389 -0.271 20 0 CBADHP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220884460 825119545 /nfs/dbraw/zinc/11/95/45/825119545.db2.gz CPZPQBLHKFWUCA-RYUDHWBXSA-N 2 3 266.389 -0.271 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121895 825145582 /nfs/dbraw/zinc/14/55/82/825145582.db2.gz XCZXUOADUSSTPR-CYBMUJFWSA-N 2 3 291.399 -0.157 20 0 CBADHP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1C[NH2+]CC12CNC2 ZINC001221246178 825162192 /nfs/dbraw/zinc/16/21/92/825162192.db2.gz SDIUVTRHTQPUIX-CZUORRHYSA-N 2 3 292.427 -0.166 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333881 825172711 /nfs/dbraw/zinc/17/27/11/825172711.db2.gz UXEITJZSEGNONT-UONOGXRCSA-N 2 3 276.384 -0.035 20 0 CBADHP N[C@@H](C(=O)N[C@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408051 825186125 /nfs/dbraw/zinc/18/61/25/825186125.db2.gz GGUISMSEAYAHAC-ZIAGYGMSSA-N 2 3 280.416 -0.182 20 0 CBADHP C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CN1 ZINC001245970885 825616122 /nfs/dbraw/zinc/61/61/22/825616122.db2.gz CKMCJRJETYGJGS-AVGNSLFASA-N 2 3 271.405 -0.418 20 0 CBADHP [NH3+][C@H]1CCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016725 825620533 /nfs/dbraw/zinc/62/05/33/825620533.db2.gz NGLNTHGHBTXFSP-QWHCGFSZSA-N 2 3 271.405 -0.335 20 0 CBADHP [NH3+][C@@H]1CCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016722 825621273 /nfs/dbraw/zinc/62/12/73/825621273.db2.gz NGLNTHGHBTXFSP-OLZOCXBDSA-N 2 3 271.405 -0.335 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@H+](C[C@@]2(O)CCCNC2)CC1 ZINC001246020878 825622173 /nfs/dbraw/zinc/62/21/73/825622173.db2.gz MRXMFBQDJJETKC-CHWSQXEVSA-N 2 3 257.378 -0.723 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@@H+](C[C@@]2(O)CCCNC2)CC1 ZINC001246020878 825622177 /nfs/dbraw/zinc/62/21/77/825622177.db2.gz MRXMFBQDJJETKC-CHWSQXEVSA-N 2 3 257.378 -0.723 20 0 CBADHP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141141 825640233 /nfs/dbraw/zinc/64/02/33/825640233.db2.gz COHMVANPWXOSMU-MGPQQGTHSA-N 2 3 269.389 -0.277 20 0 CBADHP OC[C@@H]1CNC[C@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300507 825661995 /nfs/dbraw/zinc/66/19/95/825661995.db2.gz RXSMIKNGWODAQI-RJZJGCCBSA-N 2 3 269.389 -0.543 20 0 CBADHP NC(=O)[C@@H](N)CCCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246414494 825671971 /nfs/dbraw/zinc/67/19/71/825671971.db2.gz IDRAAQLYPYZYAL-USZNOCQGSA-N 2 3 254.378 -0.443 20 0 CBADHP C1[NH2+]CC12C[C@@H](N1CCN(C3CC[NH2+]CC3)CC1)CCN2 ZINC001246785399 825710830 /nfs/dbraw/zinc/71/08/30/825710830.db2.gz AOCMPECCXLEDQK-HNNXBMFYSA-N 2 3 293.459 -0.550 20 0 CBADHP COCC[N@H+](C1CCNCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837133 825718461 /nfs/dbraw/zinc/71/84/61/825718461.db2.gz QOEWWONLRRQNCT-CQSZACIVSA-N 2 3 282.432 -0.219 20 0 CBADHP COCC[N@@H+](C1CCNCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837133 825718468 /nfs/dbraw/zinc/71/84/68/825718468.db2.gz QOEWWONLRRQNCT-CQSZACIVSA-N 2 3 282.432 -0.219 20 0 CBADHP C[NH+](C)CCN1C[C@H]2CN(CC3CC[NH2+]CC3)C[C@@H](C1)O2 ZINC001276713335 828156800 /nfs/dbraw/zinc/15/68/00/828156800.db2.gz CJYOBQOMPMKAOR-IYBDPMFKSA-N 2 3 296.459 -0.067 20 0 CBADHP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1[NH3+] ZINC001326501396 885049603 /nfs/dbraw/zinc/04/96/03/885049603.db2.gz DYNOBXYBQZMPKM-AGIUHOORSA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1[NH3+] ZINC001326501396 885049622 /nfs/dbraw/zinc/04/96/22/885049622.db2.gz DYNOBXYBQZMPKM-AGIUHOORSA-N 2 3 268.405 -0.147 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429090 886063302 /nfs/dbraw/zinc/06/33/02/886063302.db2.gz YOFFLTMRUBWRMM-VXGBXAGGSA-N 2 3 254.378 -0.536 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429090 886063309 /nfs/dbraw/zinc/06/33/09/886063309.db2.gz YOFFLTMRUBWRMM-VXGBXAGGSA-N 2 3 254.378 -0.536 20 0 CBADHP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001326236278 884953605 /nfs/dbraw/zinc/95/36/05/884953605.db2.gz GJGBGRCBUVFDQW-SRVKXCTJSA-N 2 3 256.394 -0.101 20 0 CBADHP CC(C)([NH3+])CC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001353944371 891490884 /nfs/dbraw/zinc/49/08/84/891490884.db2.gz UIMBTQIMNIEJPC-NSHDSACASA-N 2 3 256.394 -0.099 20 0 CBADHP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]1 ZINC000572498228 354893094 /nfs/dbraw/zinc/89/30/94/354893094.db2.gz MJWSVLXZXXXQBK-NDBYEHHHSA-N 2 3 266.389 -0.382 20 0 CBADHP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]1 ZINC000572498228 354893098 /nfs/dbraw/zinc/89/30/98/354893098.db2.gz MJWSVLXZXXXQBK-NDBYEHHHSA-N 2 3 266.389 -0.382 20 0 CBADHP [NH3+]CCOCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584598421 355033049 /nfs/dbraw/zinc/03/30/49/355033049.db2.gz HUMQPZCFQJHFTF-UONOGXRCSA-N 2 3 298.431 -0.458 20 0 CBADHP [NH3+]CCOCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584598422 355033080 /nfs/dbraw/zinc/03/30/80/355033080.db2.gz HUMQPZCFQJHFTF-ZIAGYGMSSA-N 2 3 298.431 -0.458 20 0 CBADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607151008 355746183 /nfs/dbraw/zinc/74/61/83/355746183.db2.gz ZSTUQNQBBGCBPG-ZQDZILKHSA-N 2 3 264.417 -0.321 20 0 CBADHP C[NH2+]CCOCCN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629570795 356781089 /nfs/dbraw/zinc/78/10/89/356781089.db2.gz DJCSUWOTYOUDHZ-GFCCVEGCSA-N 2 3 257.378 -0.325 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000584459540 374372609 /nfs/dbraw/zinc/37/26/09/374372609.db2.gz UDYCHGHNLWXOCR-CYBMUJFWSA-N 2 3 285.436 -0.127 20 0 CBADHP C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)OCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232083 544899825 /nfs/dbraw/zinc/89/98/25/544899825.db2.gz OLSGZWARNHIAMV-FPCVCCKLSA-N 2 3 294.443 -0.695 20 0 CBADHP N[C@H]1C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073207 295343058 /nfs/dbraw/zinc/34/30/58/295343058.db2.gz NGLPWLZERHLINK-RYUDHWBXSA-N 2 3 252.362 -0.770 20 0 CBADHP N[C@H]1C[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073207 295343057 /nfs/dbraw/zinc/34/30/57/295343057.db2.gz NGLPWLZERHLINK-RYUDHWBXSA-N 2 3 252.362 -0.770 20 0 CBADHP C[NH2+]C[C@](C)(O)CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271480 328005523 /nfs/dbraw/zinc/00/55/23/328005523.db2.gz TUFUIRZAVGHAOR-ZFWWWQNUSA-N 2 3 287.448 -0.019 20 0 CBADHP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000873229423 584068966 /nfs/dbraw/zinc/06/89/66/584068966.db2.gz YITNBSXUZAUDRD-VNHYZAJKSA-N 2 3 280.416 -0.275 20 0 CBADHP CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495288 584891801 /nfs/dbraw/zinc/89/18/01/584891801.db2.gz YXARYJLPRDAUTA-UNJBNNCHSA-N 2 3 285.388 -0.831 20 0 CBADHP CNC[C@@](C)(O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495288 584891803 /nfs/dbraw/zinc/89/18/03/584891803.db2.gz YXARYJLPRDAUTA-UNJBNNCHSA-N 2 3 285.388 -0.831 20 0 CBADHP C[NH2+]C[C@@](C)(O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495288 584891804 /nfs/dbraw/zinc/89/18/04/584891804.db2.gz YXARYJLPRDAUTA-UNJBNNCHSA-N 2 3 285.388 -0.831 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716601 584895664 /nfs/dbraw/zinc/89/56/64/584895664.db2.gz QAVDNCIBROUWMT-GJZGRUSLSA-N 2 3 282.432 -0.408 20 0 CBADHP C[NH2+]CCOCCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770832 584898383 /nfs/dbraw/zinc/89/83/83/584898383.db2.gz ZDFLBTPQJDSCNK-UONOGXRCSA-N 2 3 271.405 -0.077 20 0 CBADHP CN(CCOCC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769920 584898394 /nfs/dbraw/zinc/89/83/94/584898394.db2.gz RLPIBRBRIZVEDV-OLZOCXBDSA-N 2 3 257.378 -0.338 20 0 CBADHP C[NH2+]CC1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160459670 815625323 /nfs/dbraw/zinc/62/53/23/815625323.db2.gz PMJBADWMLVKYQF-CYBMUJFWSA-N 2 3 268.405 -0.229 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643173 815650011 /nfs/dbraw/zinc/65/00/11/815650011.db2.gz BCXCUQDVDSENFC-STQMWFEESA-N 2 3 286.420 -0.332 20 0 CBADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157544412 815443722 /nfs/dbraw/zinc/44/37/22/815443722.db2.gz CJALMPSCQRFIJE-WOPDTQHZSA-N 2 3 274.384 -0.010 20 0 CBADHP CN(C[C@H]1CNCCO1)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001157715853 815455331 /nfs/dbraw/zinc/45/53/31/815455331.db2.gz JSRCZTRKGUFVTD-OLZOCXBDSA-N 2 3 286.420 -0.508 20 0 CBADHP CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157720338 815456474 /nfs/dbraw/zinc/45/64/74/815456474.db2.gz GXXXHNLJWLKQJI-RYUDHWBXSA-N 2 3 272.393 -0.720 20 0 CBADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157843254 815470946 /nfs/dbraw/zinc/47/09/46/815470946.db2.gz PUOHJXIWIHWWCT-QVHKTLOISA-N 2 3 280.416 -0.229 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161623 815507208 /nfs/dbraw/zinc/50/72/08/815507208.db2.gz WKNCKPKWWJVDSJ-WCQYABFASA-N 2 3 254.378 -0.203 20 0 CBADHP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158199174 815512588 /nfs/dbraw/zinc/51/25/88/815512588.db2.gz OKWKHHFUHLBERN-GFQSEFKGSA-N 2 3 264.373 -0.852 20 0 CBADHP N[C@@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC001158208052 815513619 /nfs/dbraw/zinc/51/36/19/815513619.db2.gz JSEMEQLYCNOQME-QJPTWQEYSA-N 2 3 252.362 -0.724 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168973 815508463 /nfs/dbraw/zinc/50/84/63/815508463.db2.gz LEILQWQHSNKJQH-NSHDSACASA-N 2 3 254.378 -0.203 20 0 CBADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306383 815519219 /nfs/dbraw/zinc/51/92/19/815519219.db2.gz RNCZHQSAMCFWGZ-YNEHKIRRSA-N 2 3 278.400 -0.319 20 0 CBADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306383 815519222 /nfs/dbraw/zinc/51/92/22/815519222.db2.gz RNCZHQSAMCFWGZ-YNEHKIRRSA-N 2 3 278.400 -0.319 20 0 CBADHP N[C@@H](C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC001158306781 815519847 /nfs/dbraw/zinc/51/98/47/815519847.db2.gz WYXOGHPRJGGBBY-QJPTWQEYSA-N 2 3 252.362 -0.866 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567836 815538363 /nfs/dbraw/zinc/53/83/63/815538363.db2.gz KQZXHINAOUBAHK-VWYCJHECSA-N 2 3 272.368 -0.412 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579597 815539688 /nfs/dbraw/zinc/53/96/88/815539688.db2.gz VPTWHOWDVLJGNX-SRVKXCTJSA-N 2 3 286.395 -0.022 20 0 CBADHP CC[NH+]1CCC(N(C)C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160538081 815634411 /nfs/dbraw/zinc/63/44/11/815634411.db2.gz SVHZEPSUWVQPMG-GFCCVEGCSA-N 2 3 256.394 -0.005 20 0 CBADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160694698 815659035 /nfs/dbraw/zinc/65/90/35/815659035.db2.gz DCLSUAZYCVWLQL-RYUDHWBXSA-N 2 3 266.389 -0.747 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967022 815691828 /nfs/dbraw/zinc/69/18/28/815691828.db2.gz IRFYQEUXIYZKSM-HTQZYQBOSA-N 2 3 250.293 -0.753 20 0 CBADHP N[C@@H](C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970681 815693192 /nfs/dbraw/zinc/69/31/92/815693192.db2.gz AFZVHMGQCJZTPC-VHSXEESVSA-N 2 3 276.331 -0.492 20 0 CBADHP N[C@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009745 815694902 /nfs/dbraw/zinc/69/49/02/815694902.db2.gz XSJNWTYXWFPHOQ-STQMWFEESA-N 2 3 296.415 -0.971 20 0 CBADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161049228 815702720 /nfs/dbraw/zinc/70/27/20/815702720.db2.gz DHCIQKOMOFOTPQ-RYUDHWBXSA-N 2 3 256.394 -0.006 20 0 CBADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161049228 815702714 /nfs/dbraw/zinc/70/27/14/815702714.db2.gz DHCIQKOMOFOTPQ-RYUDHWBXSA-N 2 3 256.394 -0.006 20 0 CBADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161049931 815704262 /nfs/dbraw/zinc/70/42/62/815704262.db2.gz JUYDOTRVYHJAOW-RYUDHWBXSA-N 2 3 288.461 -0.053 20 0 CBADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161049931 815704268 /nfs/dbraw/zinc/70/42/68/815704268.db2.gz JUYDOTRVYHJAOW-RYUDHWBXSA-N 2 3 288.461 -0.053 20 0 CBADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161050480 815705766 /nfs/dbraw/zinc/70/57/66/815705766.db2.gz NPCNJUKMMVWFNY-STQMWFEESA-N 2 3 280.416 -0.264 20 0 CBADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161050480 815705769 /nfs/dbraw/zinc/70/57/69/815705769.db2.gz NPCNJUKMMVWFNY-STQMWFEESA-N 2 3 280.416 -0.264 20 0 CBADHP CN1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001161081140 815709517 /nfs/dbraw/zinc/70/95/17/815709517.db2.gz FVQMJSDBJACPQN-AVGNSLFASA-N 2 3 268.405 -0.005 20 0 CBADHP CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219195 815729064 /nfs/dbraw/zinc/72/90/64/815729064.db2.gz OEKWAFXHHCPAQX-XQHKEYJVSA-N 2 3 278.400 -0.463 20 0 CBADHP CN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219195 815729069 /nfs/dbraw/zinc/72/90/69/815729069.db2.gz OEKWAFXHHCPAQX-XQHKEYJVSA-N 2 3 278.400 -0.463 20 0 CBADHP CN(C)CCN(C(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21)[C@H]1CCC[NH2+]C1 ZINC001161444367 815755803 /nfs/dbraw/zinc/75/58/03/815755803.db2.gz GRRRLWSQBFFYSF-XJFOESAGSA-N 2 3 280.416 -0.264 20 0 CBADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161489420 815759839 /nfs/dbraw/zinc/75/98/39/815759839.db2.gz MRAWNSODRCFATG-BPLDGKMQSA-N 2 3 280.416 -0.227 20 0 CBADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161489531 815761659 /nfs/dbraw/zinc/76/16/59/815761659.db2.gz UOSWICLEQOHPMR-TZMCWYRMSA-N 2 3 268.405 -0.099 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510408 815764945 /nfs/dbraw/zinc/76/49/45/815764945.db2.gz OOLWPDSWWKHJLW-QWHCGFSZSA-N 2 3 298.431 -0.332 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511334 815766371 /nfs/dbraw/zinc/76/63/71/815766371.db2.gz YROFBYFQZONBIX-RYUDHWBXSA-N 2 3 284.404 -0.768 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@H+](CC[C@H]2CNCCO2)CC1 ZINC001205209319 824375806 /nfs/dbraw/zinc/37/58/06/824375806.db2.gz IMQISOQGYMHJOS-STQMWFEESA-N 2 3 257.378 -0.459 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@@H+](CC[C@H]2CNCCO2)CC1 ZINC001205209319 824375811 /nfs/dbraw/zinc/37/58/11/824375811.db2.gz IMQISOQGYMHJOS-STQMWFEESA-N 2 3 257.378 -0.459 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726303 824629216 /nfs/dbraw/zinc/62/92/16/824629216.db2.gz JOJXDKZDZFFCJE-NEPJUHHUSA-N 2 3 293.371 -0.173 20 0 CBADHP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[NH2+]1 ZINC001219583327 824736785 /nfs/dbraw/zinc/73/67/85/824736785.db2.gz TYAGPCGCBQIZGZ-KZVDOYCCSA-N 2 3 266.389 -0.558 20 0 CBADHP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219610816 824855076 /nfs/dbraw/zinc/85/50/76/824855076.db2.gz RZSZEUQHAQIVNU-KCJUWKMLSA-N 2 3 292.305 -0.794 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611169 824855166 /nfs/dbraw/zinc/85/51/66/824855166.db2.gz WWOGLYSZJLVUNF-WCBMZHEXSA-N 2 3 282.310 -0.147 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771588 824891782 /nfs/dbraw/zinc/89/17/82/824891782.db2.gz PQTXISFNHJXBRK-GXSJLCMTSA-N 2 3 278.397 -0.787 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773308 824893492 /nfs/dbraw/zinc/89/34/92/824893492.db2.gz PZLRZRWQPZYRPL-NSHDSACASA-N 2 3 254.378 -0.299 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854814 824903423 /nfs/dbraw/zinc/90/34/23/824903423.db2.gz WQKSRUVGNSNARG-MROQNXINSA-N 2 3 284.404 -0.851 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219867769 824903953 /nfs/dbraw/zinc/90/39/53/824903953.db2.gz RCNSCVHVLDHBLI-NSHDSACASA-N 2 3 254.378 -0.475 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219867769 824903955 /nfs/dbraw/zinc/90/39/55/824903955.db2.gz RCNSCVHVLDHBLI-NSHDSACASA-N 2 3 254.378 -0.475 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219867769 824903958 /nfs/dbraw/zinc/90/39/58/824903958.db2.gz RCNSCVHVLDHBLI-NSHDSACASA-N 2 3 254.378 -0.475 20 0 CBADHP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220161250 824974592 /nfs/dbraw/zinc/97/45/92/824974592.db2.gz AXNYQMBTFLMWBC-UMVBOHGHSA-N 2 3 292.427 -0.166 20 0 CBADHP COCCC[NH+]1CCC(NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001220200312 824984501 /nfs/dbraw/zinc/98/45/01/824984501.db2.gz HCOMYMJHQKSIMJ-CYBMUJFWSA-N 2 3 286.420 -0.330 20 0 CBADHP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220254671 824996795 /nfs/dbraw/zinc/99/67/95/824996795.db2.gz ULVCFTIWFRDKCZ-NSHDSACASA-N 2 3 268.405 -0.501 20 0 CBADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220251802 824996825 /nfs/dbraw/zinc/99/68/25/824996825.db2.gz FYTNKMJKHXIOCQ-OLZOCXBDSA-N 2 3 268.405 -0.086 20 0 CBADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220251802 824996831 /nfs/dbraw/zinc/99/68/31/824996831.db2.gz FYTNKMJKHXIOCQ-OLZOCXBDSA-N 2 3 268.405 -0.086 20 0 CBADHP NCc1ccc2c(n1)N(C(=O)[C@H]([NH3+])CCC[NH3+])CCC2 ZINC001220376969 825023883 /nfs/dbraw/zinc/02/38/83/825023883.db2.gz FZVOUBGJAUVUAG-GFCCVEGCSA-N 2 3 277.372 -0.114 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394489 825028893 /nfs/dbraw/zinc/02/88/93/825028893.db2.gz IWRWLOBRAYSERS-NSHDSACASA-N 2 3 254.378 -0.345 20 0 CBADHP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)CCCC1 ZINC001220494276 825049501 /nfs/dbraw/zinc/04/95/01/825049501.db2.gz IOGNCJDUHSHAJZ-JTQLQIEISA-N 2 3 252.362 -0.817 20 0 CBADHP N[C@H](C(=O)NCC1([NH3+])CCCC1)C1CC[NH2+]CC1 ZINC001220497385 825049770 /nfs/dbraw/zinc/04/97/70/825049770.db2.gz UHAHSOUDXZHDNB-NSHDSACASA-N 2 3 254.378 -0.299 20 0 CBADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001220716921 825092959 /nfs/dbraw/zinc/09/29/59/825092959.db2.gz UZWPJAVVAYAISH-FQUUOJAGSA-N 2 3 292.427 -0.073 20 0 CBADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001220716921 825092962 /nfs/dbraw/zinc/09/29/62/825092962.db2.gz UZWPJAVVAYAISH-FQUUOJAGSA-N 2 3 292.427 -0.073 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220853068 825112128 /nfs/dbraw/zinc/11/21/28/825112128.db2.gz KHWOAABWMKSWCR-GFCCVEGCSA-N 2 3 250.346 -0.172 20 0 CBADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220860010 825113427 /nfs/dbraw/zinc/11/34/27/825113427.db2.gz XPLAYDZCFPSGSB-IUCAKERBSA-N 2 3 262.423 -0.505 20 0 CBADHP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001221254809 825161577 /nfs/dbraw/zinc/16/15/77/825161577.db2.gz URFBKKSFJIYNGD-OUCADQQQSA-N 2 3 266.389 -0.747 20 0 CBADHP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001221254809 825161580 /nfs/dbraw/zinc/16/15/80/825161580.db2.gz URFBKKSFJIYNGD-OUCADQQQSA-N 2 3 266.389 -0.747 20 0 CBADHP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001221253917 825161979 /nfs/dbraw/zinc/16/19/79/825161979.db2.gz BMKZXZMZTVACAL-STQMWFEESA-N 2 3 280.416 -0.072 20 0 CBADHP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001221253917 825161985 /nfs/dbraw/zinc/16/19/85/825161985.db2.gz BMKZXZMZTVACAL-STQMWFEESA-N 2 3 280.416 -0.072 20 0 CBADHP CN1CCC(CO)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001221402284 825183371 /nfs/dbraw/zinc/18/33/71/825183371.db2.gz BUUWWVCGONDPTL-NSHDSACASA-N 2 3 272.393 -0.984 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408121 825185209 /nfs/dbraw/zinc/18/52/09/825185209.db2.gz HGJAFNWFJFZICW-VXGBXAGGSA-N 2 3 254.378 -0.443 20 0 CBADHP C[C@@H]1CC[C@H](CNC[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977543 825615888 /nfs/dbraw/zinc/61/58/88/825615888.db2.gz WRIJRJQCGBABKX-MCIONIFRSA-N 2 3 285.432 -0.170 20 0 CBADHP OC1(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]CC1 ZINC001246027992 825626730 /nfs/dbraw/zinc/62/67/30/825626730.db2.gz YVPMOECWCXFDTH-STQMWFEESA-N 2 3 268.405 -0.873 20 0 CBADHP CC(C)N1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236117 825654436 /nfs/dbraw/zinc/65/44/36/825654436.db2.gz JDQBNGASSRDONV-OAHLLOKOSA-N 2 3 295.475 -0.304 20 0 CBADHP OC[C@H]1CNC[C@@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300508 825662304 /nfs/dbraw/zinc/66/23/04/825662304.db2.gz RXSMIKNGWODAQI-ZIHBUVQPSA-N 2 3 269.389 -0.543 20 0 CBADHP C1[NH2+]CC12C[C@H](N[C@@H]1CCO[C@]13CC[NH2+]C3)CCN2 ZINC001246335393 825665609 /nfs/dbraw/zinc/66/56/09/825665609.db2.gz WTYZQMHBOQWNSQ-BZPMIXESSA-N 2 3 266.389 -0.809 20 0 CBADHP NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246413146 825671914 /nfs/dbraw/zinc/67/19/14/825671914.db2.gz GPWGGGCQWATWNP-MNOVXSKESA-N 2 3 254.378 -0.299 20 0 CBADHP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1CN ZINC001246551959 825684226 /nfs/dbraw/zinc/68/42/26/825684226.db2.gz MVBAHGDNOZVYEP-JHJVBQTASA-N 2 3 252.406 -0.003 20 0 CBADHP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1CN ZINC001246551959 825684229 /nfs/dbraw/zinc/68/42/29/825684229.db2.gz MVBAHGDNOZVYEP-JHJVBQTASA-N 2 3 252.406 -0.003 20 0 CBADHP C1[NH2+]CC12C[C@@H](N1CCN[C@H]3CC[NH2+]CC[C@@H]31)CS2 ZINC001246618107 825695377 /nfs/dbraw/zinc/69/53/77/825695377.db2.gz KDAZPJZDCGBAIO-AGIUHOORSA-N 2 3 282.457 -0.140 20 0 CBADHP C[NH+](C)CCCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246825845 825717129 /nfs/dbraw/zinc/71/71/29/825717129.db2.gz VXJDHJGZIJARSN-HNNXBMFYSA-N 2 3 295.475 -0.350 20 0 CBADHP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001326236276 884954713 /nfs/dbraw/zinc/95/47/13/884954713.db2.gz GJGBGRCBUVFDQW-QJPTWQEYSA-N 2 3 256.394 -0.101 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC001334774224 888320636 /nfs/dbraw/zinc/32/06/36/888320636.db2.gz GVFUYCXBVPMWDQ-CHWSQXEVSA-N 2 3 268.405 -0.146 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC001334774224 888320646 /nfs/dbraw/zinc/32/06/46/888320646.db2.gz GVFUYCXBVPMWDQ-CHWSQXEVSA-N 2 3 268.405 -0.146 20 0 CBADHP C[C@]1(CN2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110361 354781578 /nfs/dbraw/zinc/78/15/78/354781578.db2.gz AROPHKQOHBZBJK-JSGCOSHPSA-N 2 3 268.405 -0.227 20 0 CBADHP [NH3+]CCOCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584598420 355033069 /nfs/dbraw/zinc/03/30/69/355033069.db2.gz HUMQPZCFQJHFTF-KGLIPLIRSA-N 2 3 298.431 -0.458 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000596106138 355343933 /nfs/dbraw/zinc/34/39/33/355343933.db2.gz PQPNPZLXTRWLCL-NDBYEHHHSA-N 2 3 266.389 -0.524 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000596106138 355343937 /nfs/dbraw/zinc/34/39/37/355343937.db2.gz PQPNPZLXTRWLCL-NDBYEHHHSA-N 2 3 266.389 -0.524 20 0 CBADHP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(N)nc(N)n1 ZINC000624016690 356389744 /nfs/dbraw/zinc/38/97/44/356389744.db2.gz BFUOSESMXAWZAC-UHFFFAOYSA-N 2 3 296.423 -0.593 20 0 CBADHP N[C@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073205 373777201 /nfs/dbraw/zinc/77/72/01/373777201.db2.gz NGLPWLZERHLINK-NEPJUHHUSA-N 2 3 252.362 -0.770 20 0 CBADHP N[C@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000515073205 373777207 /nfs/dbraw/zinc/77/72/07/373777207.db2.gz NGLPWLZERHLINK-NEPJUHHUSA-N 2 3 252.362 -0.770 20 0 CBADHP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000647492573 419592895 /nfs/dbraw/zinc/59/28/95/419592895.db2.gz KWYZYPVROFELPX-CQSZACIVSA-N 2 3 297.447 -0.979 20 0 CBADHP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000647492573 419592903 /nfs/dbraw/zinc/59/29/03/419592903.db2.gz KWYZYPVROFELPX-CQSZACIVSA-N 2 3 297.447 -0.979 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647828431 419664562 /nfs/dbraw/zinc/66/45/62/419664562.db2.gz CZDSGDZPPPCJTF-RYUDHWBXSA-N 2 3 254.378 -0.617 20 0 CBADHP C[NH2+]C[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000659648919 420443115 /nfs/dbraw/zinc/44/31/15/420443115.db2.gz WAPGLDLKUGRMMA-LBPRGKRZSA-N 2 3 273.425 -0.271 20 0 CBADHP C[NH2+]C[C@](C)(O)CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453290 658288380 /nfs/dbraw/zinc/28/83/80/658288380.db2.gz WWZYUXGSZJDCRV-OLZOCXBDSA-N 2 3 271.405 -0.213 20 0 CBADHP C[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705898312 656187684 /nfs/dbraw/zinc/18/76/84/656187684.db2.gz XOEGIBWVYUXTLP-QJPTWQEYSA-N 2 3 256.394 -0.469 20 0 CBADHP [NH3+]C[C@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157739084 815460343 /nfs/dbraw/zinc/46/03/43/815460343.db2.gz FABKTSSMSIBXOA-VHDGCEQUSA-N 2 3 298.406 -0.135 20 0 CBADHP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157843256 815470787 /nfs/dbraw/zinc/47/07/87/815470787.db2.gz PUOHJXIWIHWWCT-RMRHIDDWSA-N 2 3 280.416 -0.229 20 0 CBADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157841872 815471144 /nfs/dbraw/zinc/47/11/44/815471144.db2.gz IJILCMMMDNDHJU-UTUOFQBUSA-N 2 3 266.389 -0.619 20 0 CBADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157844911 815471205 /nfs/dbraw/zinc/47/12/05/815471205.db2.gz YIVDLYAJVDFKOS-RAIGVLPGSA-N 2 3 268.405 -0.101 20 0 CBADHP N[C@@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158076895 815501449 /nfs/dbraw/zinc/50/14/49/815501449.db2.gz PBLGHFKHEFAXEH-CYBMUJFWSA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001158083071 815503346 /nfs/dbraw/zinc/50/33/46/815503346.db2.gz UEHNGGFMPALFTE-LBPRGKRZSA-N 2 3 278.400 -0.475 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167896 815508289 /nfs/dbraw/zinc/50/82/89/815508289.db2.gz NUFRHZADXHOVGV-HZSPNIEDSA-N 2 3 298.431 -0.508 20 0 CBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161519 815506896 /nfs/dbraw/zinc/50/68/96/815506896.db2.gz PMHNSBGSJDCVEQ-IUODEOHRSA-N 2 3 278.400 -0.460 20 0 CBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161520 815506901 /nfs/dbraw/zinc/50/69/01/815506901.db2.gz PMHNSBGSJDCVEQ-SWLSCSKDSA-N 2 3 278.400 -0.460 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161622 815507030 /nfs/dbraw/zinc/50/70/30/815507030.db2.gz WKNCKPKWWJVDSJ-DGCLKSJQSA-N 2 3 254.378 -0.203 20 0 CBADHP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158186309 815510775 /nfs/dbraw/zinc/51/07/75/815510775.db2.gz FFAGEFVLSHJAFF-MQYJIDSJSA-N 2 3 278.400 -0.190 20 0 CBADHP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158186309 815510778 /nfs/dbraw/zinc/51/07/78/815510778.db2.gz FFAGEFVLSHJAFF-MQYJIDSJSA-N 2 3 278.400 -0.190 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305407 815519440 /nfs/dbraw/zinc/51/94/40/815519440.db2.gz HOJZBZFUAOUFAU-RWMBFGLXSA-N 2 3 268.405 -0.134 20 0 CBADHP N[C@H](C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001158422418 815527777 /nfs/dbraw/zinc/52/77/77/815527777.db2.gz KUWJBTZHBVFVHK-WOPDTQHZSA-N 2 3 252.362 -0.724 20 0 CBADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@@H]2CF)CC1 ZINC001158569091 815538290 /nfs/dbraw/zinc/53/82/90/815538290.db2.gz VSUOJLNQOJNJCR-QJPTWQEYSA-N 2 3 296.390 -0.669 20 0 CBADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@@H]2CF)CC1 ZINC001158569092 815537915 /nfs/dbraw/zinc/53/79/15/815537915.db2.gz VSUOJLNQOJNJCR-SDDRHHMPSA-N 2 3 296.390 -0.669 20 0 CBADHP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158628874 815540837 /nfs/dbraw/zinc/54/08/37/815540837.db2.gz ANTYSBKHICUDDA-SCRDCRAPSA-N 2 3 297.447 -0.712 20 0 CBADHP CN(CC[NH+]1CCCC1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160687844 815657501 /nfs/dbraw/zinc/65/75/01/815657501.db2.gz JKGXQLLBQKZBJS-UKRRQHHQSA-N 2 3 280.416 -0.260 20 0 CBADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160698465 815660074 /nfs/dbraw/zinc/66/00/74/815660074.db2.gz KCCJLRHSQMUGBM-QWRGUYRKSA-N 2 3 274.434 -0.536 20 0 CBADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160698464 815660411 /nfs/dbraw/zinc/66/04/11/815660411.db2.gz KCCJLRHSQMUGBM-MNOVXSKESA-N 2 3 274.434 -0.536 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCOC[C@H]1CN(C)C ZINC001160838822 815676243 /nfs/dbraw/zinc/67/62/43/815676243.db2.gz ORJRWSBLLROPAE-OLZOCXBDSA-N 2 3 286.420 -0.508 20 0 CBADHP N[C@H](C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001160970679 815693147 /nfs/dbraw/zinc/69/31/47/815693147.db2.gz AFZVHMGQCJZTPC-UWVGGRQHSA-N 2 3 276.331 -0.492 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160970716 815693471 /nfs/dbraw/zinc/69/34/71/815693471.db2.gz ATJDISQMOGVTIN-IUCAKERBSA-N 2 3 264.320 -0.362 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001161083193 815711107 /nfs/dbraw/zinc/71/11/07/815711107.db2.gz RCKZHNCCSYYEPG-WOPDTQHZSA-N 2 3 254.378 -0.395 20 0 CBADHP [NH3+]C[C@@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161239844 815734110 /nfs/dbraw/zinc/73/41/10/815734110.db2.gz SGJBCPDVYXFRFN-KGYLQXTDSA-N 2 3 270.352 -0.915 20 0 CBADHP CCN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161339592 815746028 /nfs/dbraw/zinc/74/60/28/815746028.db2.gz LWQDVDDYVJPXPG-MNOVXSKESA-N 2 3 274.434 -0.394 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378896 815748832 /nfs/dbraw/zinc/74/88/32/815748832.db2.gz NXTAYUSHXCVZMF-CHWSQXEVSA-N 2 3 283.420 -0.923 20 0 CBADHP CN(C)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001161447893 815755351 /nfs/dbraw/zinc/75/53/51/815755351.db2.gz ZUTKNMLNPXIKAM-IGQOVBAYSA-N 2 3 280.416 -0.406 20 0 CBADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161489421 815760071 /nfs/dbraw/zinc/76/00/71/815760071.db2.gz MRAWNSODRCFATG-VHDGCEQUSA-N 2 3 280.416 -0.227 20 0 CBADHP CN[C@@H](CCCC[NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218691507 824622208 /nfs/dbraw/zinc/62/22/08/824622208.db2.gz LHXJZRQJGDGPBX-NSHDSACASA-N 2 3 251.334 -0.093 20 0 CBADHP N[C@@H](C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610071 824854729 /nfs/dbraw/zinc/85/47/29/824854729.db2.gz KMDKNCANPGBZFI-MWLCHTKSSA-N 2 3 294.321 -0.276 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219642279 824870039 /nfs/dbraw/zinc/87/00/39/824870039.db2.gz QYGAQWVLGDGOGV-RMRHIDDWSA-N 2 3 280.416 -0.453 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744636 824890090 /nfs/dbraw/zinc/89/00/90/824890090.db2.gz ZZYKJBCXSIWKKX-STQMWFEESA-N 2 3 298.431 -0.140 20 0 CBADHP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219768710 824892264 /nfs/dbraw/zinc/89/22/64/824892264.db2.gz PLQUFNWIJWCNEO-GWCFXTLKSA-N 2 3 270.352 -0.997 20 0 CBADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H](N)CCC[NH3+])C1 ZINC001219978592 824928263 /nfs/dbraw/zinc/92/82/63/824928263.db2.gz PIZXTPWWBXPPAJ-VXGBXAGGSA-N 2 3 256.394 -0.099 20 0 CBADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@H](N)CCC[NH3+])C1 ZINC001219978592 824928265 /nfs/dbraw/zinc/92/82/65/824928265.db2.gz PIZXTPWWBXPPAJ-VXGBXAGGSA-N 2 3 256.394 -0.099 20 0 CBADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219978983 824929507 /nfs/dbraw/zinc/92/95/07/824929507.db2.gz XHLAGFXOHDLHRD-CHWSQXEVSA-N 2 3 280.416 -0.357 20 0 CBADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219978983 824929513 /nfs/dbraw/zinc/92/95/13/824929513.db2.gz XHLAGFXOHDLHRD-CHWSQXEVSA-N 2 3 280.416 -0.357 20 0 CBADHP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220043120 824941997 /nfs/dbraw/zinc/94/19/97/824941997.db2.gz FZYFNHIKYOAJSG-LBPRGKRZSA-N 2 3 294.403 -0.171 20 0 CBADHP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220254670 824996492 /nfs/dbraw/zinc/99/64/92/824996492.db2.gz ULVCFTIWFRDKCZ-LLVKDONJSA-N 2 3 268.405 -0.501 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316173 825013981 /nfs/dbraw/zinc/01/39/81/825013981.db2.gz MWERMXUBNRJTQK-MDZLAQPJSA-N 2 3 270.377 -0.920 20 0 CBADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220857924 825113538 /nfs/dbraw/zinc/11/35/38/825113538.db2.gz YHDGCNROLVJZEP-UWVGGRQHSA-N 2 3 254.378 -0.715 20 0 CBADHP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220855134 825113639 /nfs/dbraw/zinc/11/36/39/825113639.db2.gz NJNFNBPYMFGXFO-GDBMZVCRSA-N 2 3 288.395 -0.039 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951075 825128646 /nfs/dbraw/zinc/12/86/46/825128646.db2.gz OZBOFLUDIGSDDF-NSHDSACASA-N 2 3 280.376 -0.479 20 0 CBADHP CN1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244015 825160243 /nfs/dbraw/zinc/16/02/43/825160243.db2.gz OTYICEIHWCEICA-GXTWGEPZSA-N 2 3 268.405 -0.086 20 0 CBADHP CC(C)N(C(=O)[C@@H]1C[NH2+]CC12CNC2)C(C)(C)C[NH3+] ZINC001221394868 825181930 /nfs/dbraw/zinc/18/19/30/825181930.db2.gz WBDAKLZVPVXINV-NSHDSACASA-N 2 3 268.405 -0.230 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(CO)CCN(C)CC1 ZINC001221403353 825183316 /nfs/dbraw/zinc/18/33/16/825183316.db2.gz RUMQVDCUBWLOEP-LBPRGKRZSA-N 2 3 286.420 -0.724 20 0 CBADHP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221408773 825185755 /nfs/dbraw/zinc/18/57/55/825185755.db2.gz KTTRQXCCMGXVAO-IJEWVQPXSA-N 2 3 292.427 -0.310 20 0 CBADHP [NH3+]C12CC(CN3CCN[C@H]4CC[NH2+]CC[C@@H]43)(C1)C2 ZINC001222492006 825211609 /nfs/dbraw/zinc/21/16/09/825211609.db2.gz MXCYPHNSWVFOLG-FEPKRQSRSA-N 2 3 250.390 -0.106 20 0 CBADHP [NH3+]CCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520314 825213751 /nfs/dbraw/zinc/21/37/51/825213751.db2.gz FLIMARVGQQXHOI-ZDUSSCGKSA-N 2 3 252.362 -0.863 20 0 CBADHP [NH3+]CCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520314 825213756 /nfs/dbraw/zinc/21/37/56/825213756.db2.gz FLIMARVGQQXHOI-ZDUSSCGKSA-N 2 3 252.362 -0.863 20 0 CBADHP C[C@@H]1[NH2+]CCC[C@H]1CNC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983183 825618209 /nfs/dbraw/zinc/61/82/09/825618209.db2.gz NKPNVTXAPACIDG-IHRRRGAJSA-N 2 3 285.432 -0.170 20 0 CBADHP C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016522 825621533 /nfs/dbraw/zinc/62/15/33/825621533.db2.gz LUGOZKAFUXIKSN-RWMBFGLXSA-N 2 3 271.405 -0.337 20 0 CBADHP C[C@H]1CC[C@@H](CN)[N@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016522 825621539 /nfs/dbraw/zinc/62/15/39/825621539.db2.gz LUGOZKAFUXIKSN-RWMBFGLXSA-N 2 3 271.405 -0.337 20 0 CBADHP O[C@@]1(C[NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246080974 825634071 /nfs/dbraw/zinc/63/40/71/825634071.db2.gz HVQCTKVWEBXMJY-NTZNESFSSA-N 2 3 273.352 -0.841 20 0 CBADHP C(N[C@@H]1CCC[NH2+]C1)[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141137 825640268 /nfs/dbraw/zinc/64/02/68/825640268.db2.gz COHMVANPWXOSMU-BFHYXJOUSA-N 2 3 269.389 -0.277 20 0 CBADHP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246143311 825640355 /nfs/dbraw/zinc/64/03/55/825640355.db2.gz HTQLTEQAIBDCJP-KFWWJZLASA-N 2 3 294.443 -0.171 20 0 CBADHP COC(=O)CC1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246361299 825669348 /nfs/dbraw/zinc/66/93/48/825669348.db2.gz BUSOKRBQCJHCRA-LBPRGKRZSA-N 2 3 296.415 -0.645 20 0 CBADHP NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246414011 825671330 /nfs/dbraw/zinc/67/13/30/825671330.db2.gz GPWGGGCQWATWNP-QWRGUYRKSA-N 2 3 254.378 -0.299 20 0 CBADHP C1CC12CNCC[C@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475276 825676654 /nfs/dbraw/zinc/67/66/54/825676654.db2.gz UOUIQCCGIQAWSL-NWDGAFQWSA-N 2 3 250.390 -0.188 20 0 CBADHP C1NCC12C[C@@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598466 825693822 /nfs/dbraw/zinc/69/38/22/825693822.db2.gz BHQPCCZSQOOYJB-ZDUSSCGKSA-N 2 3 280.416 -0.465 20 0 CBADHP C1NCC12C[C@@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598466 825693827 /nfs/dbraw/zinc/69/38/27/825693827.db2.gz BHQPCCZSQOOYJB-ZDUSSCGKSA-N 2 3 280.416 -0.465 20 0 CBADHP CN1CCC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507752 825965314 /nfs/dbraw/zinc/96/53/14/825965314.db2.gz CWZPSJPGQPSZSI-NSHDSACASA-N 2 3 274.369 -0.391 20 0 CBADHP CN1CCC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254507751 825965668 /nfs/dbraw/zinc/96/56/68/825965668.db2.gz CWZPSJPGQPSZSI-LLVKDONJSA-N 2 3 274.369 -0.391 20 0 CBADHP NCc1cn([C@H]2CCC[N@H+](CCOCC[NH3+])C2)nn1 ZINC001346028313 890197842 /nfs/dbraw/zinc/19/78/42/890197842.db2.gz LGNCYSJZOIVBSG-LBPRGKRZSA-N 2 3 268.365 -0.651 20 0 CBADHP NCc1cn([C@H]2CCC[N@@H+](CCOCC[NH3+])C2)nn1 ZINC001346028313 890197851 /nfs/dbraw/zinc/19/78/51/890197851.db2.gz LGNCYSJZOIVBSG-LBPRGKRZSA-N 2 3 268.365 -0.651 20 0 CBADHP C[NH2+]CCOCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001351678553 891170575 /nfs/dbraw/zinc/17/05/75/891170575.db2.gz CUMKSAIALZHUGG-MGPQQGTHSA-N 2 3 271.405 -0.031 20 0 CBADHP C[C@]1(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110362 354781620 /nfs/dbraw/zinc/78/16/20/354781620.db2.gz AROPHKQOHBZBJK-OCCSQVGLSA-N 2 3 268.405 -0.227 20 0 CBADHP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]1 ZINC000572498227 354893108 /nfs/dbraw/zinc/89/31/08/354893108.db2.gz MJWSVLXZXXXQBK-LPWJVIDDSA-N 2 3 266.389 -0.382 20 0 CBADHP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]1 ZINC000572498227 354893111 /nfs/dbraw/zinc/89/31/11/354893111.db2.gz MJWSVLXZXXXQBK-LPWJVIDDSA-N 2 3 266.389 -0.382 20 0 CBADHP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]1 ZINC000572498225 354893642 /nfs/dbraw/zinc/89/36/42/354893642.db2.gz MJWSVLXZXXXQBK-FDYHWXHSSA-N 2 3 266.389 -0.382 20 0 CBADHP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]1 ZINC000572498225 354893644 /nfs/dbraw/zinc/89/36/44/354893644.db2.gz MJWSVLXZXXXQBK-FDYHWXHSSA-N 2 3 266.389 -0.382 20 0 CBADHP [NH3+]CCOCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580715033 354996869 /nfs/dbraw/zinc/99/68/69/354996869.db2.gz WODQBTVBCGGTHF-LBPRGKRZSA-N 2 3 257.378 -0.351 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000596106135 355343718 /nfs/dbraw/zinc/34/37/18/355343718.db2.gz PQPNPZLXTRWLCL-FDYHWXHSSA-N 2 3 266.389 -0.524 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000596106135 355343722 /nfs/dbraw/zinc/34/37/22/355343722.db2.gz PQPNPZLXTRWLCL-FDYHWXHSSA-N 2 3 266.389 -0.524 20 0 CBADHP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570943076 327682830 /nfs/dbraw/zinc/68/28/30/327682830.db2.gz PMUXSSOPJIEQPG-VXGBXAGGSA-N 2 3 273.425 -0.143 20 0 CBADHP C[NH2+]C[C@@](C)(O)CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000563271474 328005517 /nfs/dbraw/zinc/00/55/17/328005517.db2.gz TUFUIRZAVGHAOR-DZGCQCFKSA-N 2 3 287.448 -0.019 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711471 583928012 /nfs/dbraw/zinc/92/80/12/583928012.db2.gz LIUCQOIXWBJLGE-ZOBORPQBSA-N 2 3 294.399 -0.147 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711471 583928013 /nfs/dbraw/zinc/92/80/13/583928013.db2.gz LIUCQOIXWBJLGE-ZOBORPQBSA-N 2 3 294.399 -0.147 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892576099 584619665 /nfs/dbraw/zinc/61/96/65/584619665.db2.gz LJOPPSQMUJSBBV-JOCQHMNTSA-N 2 3 285.436 -0.142 20 0 CBADHP C[NH2+]CCCN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493540 584891843 /nfs/dbraw/zinc/89/18/43/584891843.db2.gz UPKYFHQZSXGFLB-LOWVWBTDSA-N 2 3 255.362 -0.192 20 0 CBADHP CNCCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493540 584891844 /nfs/dbraw/zinc/89/18/44/584891844.db2.gz UPKYFHQZSXGFLB-LOWVWBTDSA-N 2 3 255.362 -0.192 20 0 CBADHP CNCCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493540 584891845 /nfs/dbraw/zinc/89/18/45/584891845.db2.gz UPKYFHQZSXGFLB-LOWVWBTDSA-N 2 3 255.362 -0.192 20 0 CBADHP C[NH2+]CCOCCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770833 584898368 /nfs/dbraw/zinc/89/83/68/584898368.db2.gz ZDFLBTPQJDSCNK-ZIAGYGMSSA-N 2 3 271.405 -0.077 20 0 CBADHP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CCN ZINC000722213480 790789571 /nfs/dbraw/zinc/78/95/71/790789571.db2.gz DAARWMQMLXOLOL-UHFFFAOYSA-N 2 3 294.465 -0.520 20 0 CBADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157844910 815470491 /nfs/dbraw/zinc/47/04/91/815470491.db2.gz YIVDLYAJVDFKOS-KGYLQXTDSA-N 2 3 268.405 -0.101 20 0 CBADHP N[C@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158076896 815502025 /nfs/dbraw/zinc/50/20/25/815502025.db2.gz PBLGHFKHEFAXEH-ZDUSSCGKSA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001158083069 815503026 /nfs/dbraw/zinc/50/30/26/815503026.db2.gz UEHNGGFMPALFTE-GFCCVEGCSA-N 2 3 278.400 -0.475 20 0 CBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170398 815509349 /nfs/dbraw/zinc/50/93/49/815509349.db2.gz YFRXSZACEZMFRK-GFCCVEGCSA-N 2 3 278.400 -0.460 20 0 CBADHP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158186307 815510581 /nfs/dbraw/zinc/51/05/81/815510581.db2.gz FFAGEFVLSHJAFF-AVERBVTBSA-N 2 3 278.400 -0.190 20 0 CBADHP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158186307 815510583 /nfs/dbraw/zinc/51/05/83/815510583.db2.gz FFAGEFVLSHJAFF-AVERBVTBSA-N 2 3 278.400 -0.190 20 0 CBADHP N[C@H](C(=O)N1CC2CC1(C[NH3+])C2)C1CC[NH2+]CC1 ZINC001158187490 815510900 /nfs/dbraw/zinc/51/09/00/815510900.db2.gz SBOSKLFHBTYJKZ-QDYJBQRPSA-N 2 3 252.362 -0.737 20 0 CBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158426368 815529662 /nfs/dbraw/zinc/52/96/62/815529662.db2.gz ZCBWKYBZLXIGLN-AVGNSLFASA-N 2 3 278.400 -0.177 20 0 CBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158426368 815529664 /nfs/dbraw/zinc/52/96/64/815529664.db2.gz ZCBWKYBZLXIGLN-AVGNSLFASA-N 2 3 278.400 -0.177 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC001118276664 812517179 /nfs/dbraw/zinc/51/71/79/812517179.db2.gz AVQATIXTIIQYGD-FRRDWIJNSA-N 2 3 268.405 -0.005 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC001118276664 812517182 /nfs/dbraw/zinc/51/71/82/812517182.db2.gz AVQATIXTIIQYGD-FRRDWIJNSA-N 2 3 268.405 -0.005 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579598 815539250 /nfs/dbraw/zinc/53/92/50/815539250.db2.gz VPTWHOWDVLJGNX-TUAOUCFPSA-N 2 3 286.395 -0.022 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291205 815567049 /nfs/dbraw/zinc/56/70/49/815567049.db2.gz MHDRQSBEVSQLOJ-CYBMUJFWSA-N 2 3 280.416 -0.003 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291205 815567053 /nfs/dbraw/zinc/56/70/53/815567053.db2.gz MHDRQSBEVSQLOJ-CYBMUJFWSA-N 2 3 280.416 -0.003 20 0 CBADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160454478 815623575 /nfs/dbraw/zinc/62/35/75/815623575.db2.gz OBAYFYNMEAFDOU-LBPRGKRZSA-N 2 3 256.394 -0.147 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(C)(N(C)C)C1 ZINC001160644973 815650335 /nfs/dbraw/zinc/65/03/35/815650335.db2.gz LJMSLKYTYPHOGJ-NSHDSACASA-N 2 3 256.394 -0.134 20 0 CBADHP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160643157 815650722 /nfs/dbraw/zinc/65/07/22/815650722.db2.gz AEOKYOSSQWYSTC-NWDGAFQWSA-N 2 3 282.388 -0.953 20 0 CBADHP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160643157 815650727 /nfs/dbraw/zinc/65/07/27/815650727.db2.gz AEOKYOSSQWYSTC-NWDGAFQWSA-N 2 3 282.388 -0.953 20 0 CBADHP CN(C)C[C@@H]1COCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160837920 815676506 /nfs/dbraw/zinc/67/65/06/815676506.db2.gz FVDJCVHUOJZLHD-QWHCGFSZSA-N 2 3 286.420 -0.378 20 0 CBADHP N[C@@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001160915906 815688415 /nfs/dbraw/zinc/68/84/15/815688415.db2.gz RDNXNECDBDTPKC-GFCCVEGCSA-N 2 3 290.371 -0.892 20 0 CBADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160962236 815690937 /nfs/dbraw/zinc/69/09/37/815690937.db2.gz BIZIMLLIUMQWPD-MBNYWOFBSA-N 2 3 268.405 -0.147 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972974 815693549 /nfs/dbraw/zinc/69/35/49/815693549.db2.gz UNQIFUUITFQCPN-SFYZADRCSA-N 2 3 282.360 -0.800 20 0 CBADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001161175433 815724150 /nfs/dbraw/zinc/72/41/50/815724150.db2.gz LWVVJMTWMXTEGI-MGPQQGTHSA-N 2 3 292.427 -0.404 20 0 CBADHP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@H](C)N1 ZINC001161229056 815730015 /nfs/dbraw/zinc/73/00/15/815730015.db2.gz AIICDUUDOLGUEJ-CIQGVGRVSA-N 2 3 266.389 -0.606 20 0 CBADHP CC(C)N(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@H]1CC[NH2+]C1 ZINC001161352389 815745665 /nfs/dbraw/zinc/74/56/65/815745665.db2.gz VRAQCEWYGWSDRC-NWDGAFQWSA-N 2 3 266.389 -0.606 20 0 CBADHP CCN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161339593 815746245 /nfs/dbraw/zinc/74/62/45/815746245.db2.gz LWQDVDDYVJPXPG-QWRGUYRKSA-N 2 3 274.434 -0.394 20 0 CBADHP CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161340139 815746196 /nfs/dbraw/zinc/74/61/96/815746196.db2.gz PECYIOIMCFFAAH-OLZOCXBDSA-N 2 3 268.405 -0.086 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414459 815752486 /nfs/dbraw/zinc/75/24/86/815752486.db2.gz XCSUHAPZMXZPOV-MMWGEVLESA-N 2 3 272.418 -0.799 20 0 CBADHP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]12 ZINC001161414469 815752738 /nfs/dbraw/zinc/75/27/38/815752738.db2.gz XEYBHXQMMUROGU-KMCWBVRRSA-N 2 3 278.400 -0.619 20 0 CBADHP CN(C)CCN(C(=O)C12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161444881 815755765 /nfs/dbraw/zinc/75/57/65/815755765.db2.gz LQVZARBRKJMBSD-JVWICGRDSA-N 2 3 280.416 -0.119 20 0 CBADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161488447 815759868 /nfs/dbraw/zinc/75/98/68/815759868.db2.gz CJLCFQODKUMKRO-YPMHNXCESA-N 2 3 266.389 -0.617 20 0 CBADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161489529 815761714 /nfs/dbraw/zinc/76/17/14/815761714.db2.gz UOSWICLEQOHPMR-JSGCOSHPSA-N 2 3 268.405 -0.099 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161530284 815768097 /nfs/dbraw/zinc/76/80/97/815768097.db2.gz UOSLLJBOZYXIKA-GRYCIOLGSA-N 2 3 266.389 -0.191 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161530284 815768103 /nfs/dbraw/zinc/76/81/03/815768103.db2.gz UOSLLJBOZYXIKA-GRYCIOLGSA-N 2 3 266.389 -0.191 20 0 CBADHP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001169109475 820208473 /nfs/dbraw/zinc/20/84/73/820208473.db2.gz IZIXYQFJPFSEHD-CNDDSTCGSA-N 2 3 286.380 -0.251 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641401 824612333 /nfs/dbraw/zinc/61/23/33/824612333.db2.gz RADYODGDJRUZSM-JTQLQIEISA-N 2 3 252.322 -0.968 20 0 CBADHP [NH3+]Cc1cncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218704041 824626346 /nfs/dbraw/zinc/62/63/46/824626346.db2.gz KJSIFHDZFAKRFS-NSHDSACASA-N 2 3 261.329 -0.712 20 0 CBADHP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219651677 824874694 /nfs/dbraw/zinc/87/46/94/824874694.db2.gz XKONCHSHMXAEJK-MXWKQRLJSA-N 2 3 274.434 -0.633 20 0 CBADHP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219768072 824892282 /nfs/dbraw/zinc/89/22/82/824892282.db2.gz JSJNMSSGPBTYJZ-KWCYVHTRSA-N 2 3 284.379 -0.607 20 0 CBADHP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219773072 824893034 /nfs/dbraw/zinc/89/30/34/824893034.db2.gz KVAFCJKWRAMARV-MLGOLLRUSA-N 2 3 292.427 -0.166 20 0 CBADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847706 824901615 /nfs/dbraw/zinc/90/16/15/824901615.db2.gz PNVZNJIOSCGVGZ-ZJQBRPOHSA-N 2 3 284.404 -0.532 20 0 CBADHP Cc1nccn1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219934725 824917636 /nfs/dbraw/zinc/91/76/36/824917636.db2.gz JRFITWMHELNEHF-CYBMUJFWSA-N 2 3 294.403 -0.942 20 0 CBADHP C[NH2+]CCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220077496 824950264 /nfs/dbraw/zinc/95/02/64/824950264.db2.gz MHCKRVNUAWAWMZ-GFCCVEGCSA-N 2 3 268.405 -0.024 20 0 CBADHP C[NH2+]CCCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220077496 824950268 /nfs/dbraw/zinc/95/02/68/824950268.db2.gz MHCKRVNUAWAWMZ-GFCCVEGCSA-N 2 3 268.405 -0.024 20 0 CBADHP C[C@H]1CCN[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101236 824954315 /nfs/dbraw/zinc/95/43/15/824954315.db2.gz FBMYNGXWIOTNTP-UWVGGRQHSA-N 2 3 255.366 -0.165 20 0 CBADHP C[C@@H]1CCN[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101238 824955326 /nfs/dbraw/zinc/95/53/26/824955326.db2.gz FBMYNGXWIOTNTP-ZJUUUORDSA-N 2 3 255.366 -0.165 20 0 CBADHP N=C(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)SCC[NH3+] ZINC001220106248 824955845 /nfs/dbraw/zinc/95/58/45/824955845.db2.gz GKUMZKGILDBLON-VIFPVBQESA-N 2 3 285.417 -0.397 20 0 CBADHP N=C(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)SCC[NH3+] ZINC001220106248 824955852 /nfs/dbraw/zinc/95/58/52/824955852.db2.gz GKUMZKGILDBLON-VIFPVBQESA-N 2 3 285.417 -0.397 20 0 CBADHP N=C(NC(=O)[C@H](N)C1CC[NH2+]CC1)SCC[NH3+] ZINC001220106249 824956710 /nfs/dbraw/zinc/95/67/10/824956710.db2.gz GLGNVSPOINMZNF-MRVPVSSYSA-N 2 3 259.379 -0.944 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1(C[NH3+])COC1 ZINC001220157040 824973666 /nfs/dbraw/zinc/97/36/66/824973666.db2.gz VHSTZLSCXBRNTL-NSHDSACASA-N 2 3 272.393 -0.674 20 0 CBADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220251801 824996184 /nfs/dbraw/zinc/99/61/84/824996184.db2.gz FYTNKMJKHXIOCQ-CHWSQXEVSA-N 2 3 268.405 -0.086 20 0 CBADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220251801 824996188 /nfs/dbraw/zinc/99/61/88/824996188.db2.gz FYTNKMJKHXIOCQ-CHWSQXEVSA-N 2 3 268.405 -0.086 20 0 CBADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220252024 824996996 /nfs/dbraw/zinc/99/69/96/824996996.db2.gz LUJJLOLOERRUMP-RYUDHWBXSA-N 2 3 266.389 -0.604 20 0 CBADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220252024 824996998 /nfs/dbraw/zinc/99/69/98/824996998.db2.gz LUJJLOLOERRUMP-RYUDHWBXSA-N 2 3 266.389 -0.604 20 0 CBADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220254780 824997734 /nfs/dbraw/zinc/99/77/34/824997734.db2.gz XCADZZGCSDDFKE-QWRGUYRKSA-N 2 3 274.434 -0.394 20 0 CBADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220254780 824997736 /nfs/dbraw/zinc/99/77/36/824997736.db2.gz XCADZZGCSDDFKE-QWRGUYRKSA-N 2 3 274.434 -0.394 20 0 CBADHP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220386230 825026791 /nfs/dbraw/zinc/02/67/91/825026791.db2.gz LHMWVSQNNSJGDR-LLVKDONJSA-N 2 3 268.405 -0.358 20 0 CBADHP [NH3+][C@@H](CNC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220499991 825052162 /nfs/dbraw/zinc/05/21/62/825052162.db2.gz GEBLDINUWHSWPA-OLZOCXBDSA-N 2 3 274.368 -0.388 20 0 CBADHP COCCC1([NH3+])CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001221134298 825146075 /nfs/dbraw/zinc/14/60/75/825146075.db2.gz UPWYMFWBXIBUKU-LBPRGKRZSA-N 2 3 286.420 -0.201 20 0 CBADHP COCCC1([NH3+])CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001221136527 825146917 /nfs/dbraw/zinc/14/69/17/825146917.db2.gz PZOVSWRPWNVAQW-CYBMUJFWSA-N 2 3 298.431 -0.330 20 0 CBADHP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221246179 825162509 /nfs/dbraw/zinc/16/25/09/825162509.db2.gz SDIUVTRHTQPUIX-XJKSGUPXSA-N 2 3 292.427 -0.166 20 0 CBADHP CC(C)N(C(=O)[C@@H](N)CSCC[NH3+])C(C)(C)C[NH3+] ZINC001221395031 825181299 /nfs/dbraw/zinc/18/12/99/825181299.db2.gz LWTMGNXFQHICAM-JTQLQIEISA-N 2 3 276.450 -0.020 20 0 CBADHP N[C@H](C(=O)N[C@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408050 825185878 /nfs/dbraw/zinc/18/58/78/825185878.db2.gz GGUISMSEAYAHAC-UONOGXRCSA-N 2 3 280.416 -0.182 20 0 CBADHP CN(C)CCN1CC[N@H+](CCCC[NH3+])CCC1=O ZINC001235962911 825518233 /nfs/dbraw/zinc/51/82/33/825518233.db2.gz QNCJUFWVXXIPNM-UHFFFAOYSA-N 2 3 256.394 -0.179 20 0 CBADHP CN(C)CCN1CC[N@@H+](CCCC[NH3+])CCC1=O ZINC001235962911 825518243 /nfs/dbraw/zinc/51/82/43/825518243.db2.gz QNCJUFWVXXIPNM-UHFFFAOYSA-N 2 3 256.394 -0.179 20 0 CBADHP C[NH+](C)CCN1CCN(CCCC[NH3+])CCC1=O ZINC001235962911 825518247 /nfs/dbraw/zinc/51/82/47/825518247.db2.gz QNCJUFWVXXIPNM-UHFFFAOYSA-N 2 3 256.394 -0.179 20 0 CBADHP C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982142 825616193 /nfs/dbraw/zinc/61/61/93/825616193.db2.gz KFLQAFJUIUUZRL-MGPQQGTHSA-N 2 3 285.432 -0.313 20 0 CBADHP C[C@@H]1CC[NH2+]C[C@H]1CNC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982143 825616594 /nfs/dbraw/zinc/61/65/94/825616594.db2.gz KFLQAFJUIUUZRL-RDBSUJKOSA-N 2 3 285.432 -0.313 20 0 CBADHP C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983181 825617676 /nfs/dbraw/zinc/61/76/76/825617676.db2.gz NKPNVTXAPACIDG-BFHYXJOUSA-N 2 3 285.432 -0.170 20 0 CBADHP [NH3+]C[C@H]1CCCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032108 825627598 /nfs/dbraw/zinc/62/75/98/825627598.db2.gz JAGXBSJJFLEVTD-ZIAGYGMSSA-N 2 3 285.432 -0.087 20 0 CBADHP F[C@@H]1CCNC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220727 825653135 /nfs/dbraw/zinc/65/31/35/825653135.db2.gz HQMTWHACNWKQKU-QJPTWQEYSA-N 2 3 256.369 -0.382 20 0 CBADHP NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246418473 825672616 /nfs/dbraw/zinc/67/26/16/825672616.db2.gz RDKNNHFVJKYOAJ-ZJUUUORDSA-N 2 3 272.418 -0.594 20 0 CBADHP C1CC12CNCC[C@@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475277 825675710 /nfs/dbraw/zinc/67/57/10/825675710.db2.gz UOUIQCCGIQAWSL-RYUDHWBXSA-N 2 3 250.390 -0.188 20 0 CBADHP [NH3+]CC[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528589 825681316 /nfs/dbraw/zinc/68/13/16/825681316.db2.gz AJNOMPVVCHAYPY-NEPJUHHUSA-N 2 3 254.378 -0.870 20 0 CBADHP C[NH+](C)CCCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246825856 825717842 /nfs/dbraw/zinc/71/78/42/825717842.db2.gz VXJDHJGZIJARSN-OAHLLOKOSA-N 2 3 295.475 -0.350 20 0 CBADHP CCCN1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001258769706 826070227 /nfs/dbraw/zinc/07/02/27/826070227.db2.gz COZOAQLTNDRYEK-UHFFFAOYSA-N 2 3 288.396 -0.001 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429064 886064504 /nfs/dbraw/zinc/06/45/04/886064504.db2.gz YOFFLTMRUBWRMM-NEPJUHHUSA-N 2 3 254.378 -0.536 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC001329429064 886064523 /nfs/dbraw/zinc/06/45/23/886064523.db2.gz YOFFLTMRUBWRMM-NEPJUHHUSA-N 2 3 254.378 -0.536 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC001334774229 888319301 /nfs/dbraw/zinc/31/93/01/888319301.db2.gz GVFUYCXBVPMWDQ-STQMWFEESA-N 2 3 268.405 -0.146 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC001334774229 888319314 /nfs/dbraw/zinc/31/93/14/888319314.db2.gz GVFUYCXBVPMWDQ-STQMWFEESA-N 2 3 268.405 -0.146 20 0 CBADHP CN(C(=O)CNCC[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001342238280 889736300 /nfs/dbraw/zinc/73/63/00/889736300.db2.gz YEMNQMVHNXNDOD-CQSZACIVSA-N 2 3 297.447 -0.838 20 0 CBADHP N[C@@H]1C[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973599 923931303 /nfs/dbraw/zinc/93/13/03/923931303.db2.gz RDKPTSIENXTOQC-YEKKKDRXSA-N 2 3 278.400 -0.239 20 0 CBADHP N[C@@H]1C[C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973599 923931313 /nfs/dbraw/zinc/93/13/13/923931313.db2.gz RDKPTSIENXTOQC-YEKKKDRXSA-N 2 3 278.400 -0.239 20 0 CBADHP C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CC[NH2+]CC1 ZINC000580892737 355001012 /nfs/dbraw/zinc/00/10/12/355001012.db2.gz KDBKMAHAHGSPRX-OKILXGFUSA-N 2 3 252.406 -0.177 20 0 CBADHP NCC1(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000647489190 419591730 /nfs/dbraw/zinc/59/17/30/419591730.db2.gz VZGRHFVUDKVEMP-NSHDSACASA-N 2 3 254.378 -0.488 20 0 CBADHP NCC1(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000647489190 419591737 /nfs/dbraw/zinc/59/17/37/419591737.db2.gz VZGRHFVUDKVEMP-NSHDSACASA-N 2 3 254.378 -0.488 20 0 CBADHP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542306 419606247 /nfs/dbraw/zinc/60/62/47/419606247.db2.gz OGUBTHNPDAYHLJ-HZSPNIEDSA-N 2 3 280.416 -0.133 20 0 CBADHP C[NH2+]C[C@@](C)(O)CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271479 328005561 /nfs/dbraw/zinc/00/55/61/328005561.db2.gz TUFUIRZAVGHAOR-UKRRQHHQSA-N 2 3 287.448 -0.019 20 0 CBADHP CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563605903 328076516 /nfs/dbraw/zinc/07/65/16/328076516.db2.gz ZFLFPIREISZXKJ-GFCCVEGCSA-N 2 3 273.425 -0.142 20 0 CBADHP [NH3+][C@@H]1CCC[C@@H]2CN(CCN3CC[NH2+]CC3)C[C@H]21 ZINC000583084311 329312028 /nfs/dbraw/zinc/31/20/28/329312028.db2.gz LXOPWGPBSRQXJH-MGPQQGTHSA-N 2 3 252.406 -0.049 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000903490628 584891738 /nfs/dbraw/zinc/89/17/38/584891738.db2.gz AONVLEARFHKLQA-CZXHOFHRSA-N 2 3 267.373 -0.192 20 0 CBADHP CN(CCOCC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769919 584898389 /nfs/dbraw/zinc/89/83/89/584898389.db2.gz RLPIBRBRIZVEDV-CHWSQXEVSA-N 2 3 257.378 -0.338 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903968042 584905102 /nfs/dbraw/zinc/90/51/02/584905102.db2.gz QFIOCNCIDLTYBD-AGIUHOORSA-N 2 3 268.405 -0.371 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000903977090 584905446 /nfs/dbraw/zinc/90/54/46/584905446.db2.gz ISVFPVIEMPKMLS-HPYVJYLESA-N 2 3 279.384 -0.192 20 0 CBADHP C[NH+](C)C[C@@H]1CN(C(=O)C2(N)CC2)C[C@H]1C[NH+](C)C ZINC000705912312 790725937 /nfs/dbraw/zinc/72/59/37/790725937.db2.gz NFJLNWSVPMLEQO-VXGBXAGGSA-N 2 3 268.405 -0.325 20 0 CBADHP CN(C)C1(C)CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160645716 815650001 /nfs/dbraw/zinc/65/00/01/815650001.db2.gz SVXGMYZTHGXOAY-NSHDSACASA-N 2 3 254.378 -0.524 20 0 CBADHP [NH2+]=C(NCCCC[NH3+])Nc1cc2c(nn1)CCNC2 ZINC001157096604 815404328 /nfs/dbraw/zinc/40/43/28/815404328.db2.gz KZOXZHDAMAOVGE-UHFFFAOYSA-N 2 3 263.349 -0.203 20 0 CBADHP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157843253 815470936 /nfs/dbraw/zinc/47/09/36/815470936.db2.gz PUOHJXIWIHWWCT-KYEXWDHISA-N 2 3 280.416 -0.229 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291206 815567139 /nfs/dbraw/zinc/56/71/39/815567139.db2.gz MHDRQSBEVSQLOJ-ZDUSSCGKSA-N 2 3 280.416 -0.003 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291206 815567144 /nfs/dbraw/zinc/56/71/44/815567144.db2.gz MHDRQSBEVSQLOJ-ZDUSSCGKSA-N 2 3 280.416 -0.003 20 0 CBADHP CC[NH+]1CCC(N(C)C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160538082 815633760 /nfs/dbraw/zinc/63/37/60/815633760.db2.gz SVHZEPSUWVQPMG-LBPRGKRZSA-N 2 3 256.394 -0.005 20 0 CBADHP CN(C)C1(C)CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160645715 815650521 /nfs/dbraw/zinc/65/05/21/815650521.db2.gz SVXGMYZTHGXOAY-LLVKDONJSA-N 2 3 254.378 -0.524 20 0 CBADHP CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160687462 815656778 /nfs/dbraw/zinc/65/67/78/815656778.db2.gz DZYHSVRWTXNBFQ-ZDUSSCGKSA-N 2 3 268.405 -0.133 20 0 CBADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160694695 815658873 /nfs/dbraw/zinc/65/88/73/815658873.db2.gz DCLSUAZYCVWLQL-NEPJUHHUSA-N 2 3 266.389 -0.747 20 0 CBADHP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704838 815661854 /nfs/dbraw/zinc/66/18/54/815661854.db2.gz ONIQQTKHFFZORO-XQQFMLRXSA-N 2 3 266.389 -0.667 20 0 CBADHP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704838 815661860 /nfs/dbraw/zinc/66/18/60/815661860.db2.gz ONIQQTKHFFZORO-XQQFMLRXSA-N 2 3 266.389 -0.667 20 0 CBADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160962166 815691941 /nfs/dbraw/zinc/69/19/41/815691941.db2.gz AAGNVWKCTWMLTM-MBNYWOFBSA-N 2 3 278.400 -0.795 20 0 CBADHP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC(F)(F)C1 ZINC001160969308 815692723 /nfs/dbraw/zinc/69/27/23/815692723.db2.gz ZJPWLODCHIOOAX-JFGNBEQYSA-N 2 3 288.342 -0.620 20 0 CBADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161049227 815704433 /nfs/dbraw/zinc/70/44/33/815704433.db2.gz DHCIQKOMOFOTPQ-NWDGAFQWSA-N 2 3 256.394 -0.006 20 0 CBADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161049227 815704449 /nfs/dbraw/zinc/70/44/49/815704449.db2.gz DHCIQKOMOFOTPQ-NWDGAFQWSA-N 2 3 256.394 -0.006 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001161081141 815709891 /nfs/dbraw/zinc/70/98/91/815709891.db2.gz FVQMJSDBJACPQN-FRRDWIJNSA-N 2 3 268.405 -0.005 20 0 CBADHP CN1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001161081142 815710076 /nfs/dbraw/zinc/71/00/76/815710076.db2.gz FVQMJSDBJACPQN-RWMBFGLXSA-N 2 3 268.405 -0.005 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001161083189 815710983 /nfs/dbraw/zinc/71/09/83/815710983.db2.gz RCKZHNCCSYYEPG-IJLUTSLNSA-N 2 3 254.378 -0.395 20 0 CBADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]2C1 ZINC001161175282 815725098 /nfs/dbraw/zinc/72/50/98/815725098.db2.gz KEWCUYOHSACMRZ-XQQFMLRXSA-N 2 3 268.405 -0.147 20 0 CBADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]2C1 ZINC001161175282 815725102 /nfs/dbraw/zinc/72/51/02/815725102.db2.gz KEWCUYOHSACMRZ-XQQFMLRXSA-N 2 3 268.405 -0.147 20 0 CBADHP CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H]1CCC[NH2+]C1 ZINC001161331905 815741391 /nfs/dbraw/zinc/74/13/91/815741391.db2.gz IFEVSMBJTOEOLR-VNHYZAJKSA-N 2 3 280.416 -0.214 20 0 CBADHP CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H]1CCC[NH2+]C1 ZINC001161331904 815741740 /nfs/dbraw/zinc/74/17/40/815741740.db2.gz IFEVSMBJTOEOLR-UMVBOHGHSA-N 2 3 280.416 -0.214 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412770 815751177 /nfs/dbraw/zinc/75/11/77/815751177.db2.gz MLCYJFGIGOHNIO-BJDJZHNGSA-N 2 3 254.378 -0.362 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412771 815752065 /nfs/dbraw/zinc/75/20/65/815752065.db2.gz MLCYJFGIGOHNIO-QCNOEVLYSA-N 2 3 254.378 -0.362 20 0 CBADHP CN(C)CCN(C(=O)[C@@]12C[C@@H]1CC[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161448250 815755607 /nfs/dbraw/zinc/75/56/07/815755607.db2.gz AFKDNRQHHXJKPZ-KCQAQPDRSA-N 2 3 280.416 -0.119 20 0 CBADHP [NH3+][C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC12COC2 ZINC001161511113 815765069 /nfs/dbraw/zinc/76/50/69/815765069.db2.gz WQLMZZCSZAFQRC-NEPJUHHUSA-N 2 3 294.399 -0.953 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611444 824854069 /nfs/dbraw/zinc/85/40/69/824854069.db2.gz ZAZXRYFAFCKKAC-IONNQARKSA-N 2 3 268.283 -0.537 20 0 CBADHP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219642278 824869781 /nfs/dbraw/zinc/86/97/81/824869781.db2.gz QYGAQWVLGDGOGV-RGCMKSIDSA-N 2 3 280.416 -0.453 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219641948 824869835 /nfs/dbraw/zinc/86/98/35/824869835.db2.gz NDJBCTDFIPQHET-SRVKXCTJSA-N 2 3 266.389 -0.843 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219642276 824870528 /nfs/dbraw/zinc/87/05/28/824870528.db2.gz QYGAQWVLGDGOGV-KYEXWDHISA-N 2 3 280.416 -0.453 20 0 CBADHP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219646609 824873680 /nfs/dbraw/zinc/87/36/80/824873680.db2.gz VXQNARYQZWKPOL-UTUOFQBUSA-N 2 3 256.394 -0.196 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C[NH2+]1 ZINC001219684539 824878936 /nfs/dbraw/zinc/87/89/36/824878936.db2.gz PLNPEOCNIZIMQK-UPJWGTAASA-N 2 3 280.416 -0.025 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001219684539 824878942 /nfs/dbraw/zinc/87/89/42/824878942.db2.gz PLNPEOCNIZIMQK-UPJWGTAASA-N 2 3 280.416 -0.025 20 0 CBADHP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001219954475 824921607 /nfs/dbraw/zinc/92/16/07/824921607.db2.gz JSMBEAXCHGHXSF-CYBMUJFWSA-N 2 3 280.416 -0.214 20 0 CBADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219978986 824930127 /nfs/dbraw/zinc/93/01/27/824930127.db2.gz XHLAGFXOHDLHRD-STQMWFEESA-N 2 3 280.416 -0.357 20 0 CBADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219978986 824930130 /nfs/dbraw/zinc/93/01/30/824930130.db2.gz XHLAGFXOHDLHRD-STQMWFEESA-N 2 3 280.416 -0.357 20 0 CBADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220221220 824989943 /nfs/dbraw/zinc/98/99/43/824989943.db2.gz VNPHBQGYWHIXCE-AGIUHOORSA-N 2 3 280.416 -0.216 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220497112 825050047 /nfs/dbraw/zinc/05/00/47/825050047.db2.gz KJSDKRUWOHPBMR-VIFPVBQESA-N 2 3 260.407 -0.607 20 0 CBADHP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[NH2+]CC34CNC4)(C1)CCC2 ZINC001220776981 825100624 /nfs/dbraw/zinc/10/06/24/825100624.db2.gz BCDRYVNZWVMGKB-TUKIKUTGSA-N 2 3 278.400 -0.284 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775307 825101152 /nfs/dbraw/zinc/10/11/52/825101152.db2.gz RJKRHDMRMRZAIW-UHTWSYAYSA-N 2 3 254.378 -0.027 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937332 825126806 /nfs/dbraw/zinc/12/68/06/825126806.db2.gz PHNSQLIKKZJPSS-STQMWFEESA-N 2 3 286.420 -0.460 20 0 CBADHP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001221239571 825158353 /nfs/dbraw/zinc/15/83/53/825158353.db2.gz PBBVTOSZBKHNBG-WZRBSPASSA-N 2 3 266.389 -0.143 20 0 CBADHP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001221239571 825158358 /nfs/dbraw/zinc/15/83/58/825158358.db2.gz PBBVTOSZBKHNBG-WZRBSPASSA-N 2 3 266.389 -0.143 20 0 CBADHP [NH3+]CCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363927 825600687 /nfs/dbraw/zinc/60/06/87/825600687.db2.gz SNKDBDNJKQLANK-SNVBAGLBSA-N 2 3 271.434 -0.717 20 0 CBADHP [NH3+]CCCC[NH2+]CCCNCC1(O)CC[NH2+]CC1 ZINC001246011053 825620965 /nfs/dbraw/zinc/62/09/65/825620965.db2.gz QUNIBXQFOVJASL-UHFFFAOYSA-N 3 3 258.410 -0.591 20 0 CBADHP O[C@H](CNC[C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979436 825616778 /nfs/dbraw/zinc/61/67/78/825616778.db2.gz AENFCALYSAHVFQ-OLZOCXBDSA-N 2 3 271.405 -0.559 20 0 CBADHP C[C@@H]1CC[C@H](CNC[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977555 825616936 /nfs/dbraw/zinc/61/69/36/825616936.db2.gz WRIJRJQCGBABKX-MGPQQGTHSA-N 2 3 285.432 -0.170 20 0 CBADHP O[C@]1(CNC[C@H]2CCC3(CCNCC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988257 825618110 /nfs/dbraw/zinc/61/81/10/825618110.db2.gz VAQJHOXKCNYTSE-UKRRQHHQSA-N 2 3 282.432 -0.435 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989290 825618363 /nfs/dbraw/zinc/61/83/63/825618363.db2.gz FQTJFTUDRYRXDA-MJBXVCDLSA-N 2 3 285.432 -0.313 20 0 CBADHP O[C@@]1(C[NH2+][C@@H]2CSC3(C[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246080913 825633558 /nfs/dbraw/zinc/63/35/58/825633558.db2.gz GXLPSZKSRVFVOJ-JBLDHEPKSA-N 2 3 275.393 -0.514 20 0 CBADHP F[C@@H]1CCNC[C@@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220725 825653383 /nfs/dbraw/zinc/65/33/83/825653383.db2.gz HQMTWHACNWKQKU-GRYCIOLGSA-N 2 3 256.369 -0.382 20 0 CBADHP COC(=O)CC1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246361272 825669486 /nfs/dbraw/zinc/66/94/86/825669486.db2.gz BUSOKRBQCJHCRA-GFCCVEGCSA-N 2 3 296.415 -0.645 20 0 CBADHP [NH3+]CC[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528590 825682003 /nfs/dbraw/zinc/68/20/03/825682003.db2.gz AJNOMPVVCHAYPY-NWDGAFQWSA-N 2 3 254.378 -0.870 20 0 CBADHP C1[NH2+]CC12CC[C@@H](N1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641469 825700639 /nfs/dbraw/zinc/70/06/39/825700639.db2.gz IIWRWDBWRBYZEY-OCCSQVGLSA-N 2 3 250.390 -0.234 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[NH2+]CCC2(C[NH3+])CC2)C1 ZINC001326412922 885021110 /nfs/dbraw/zinc/02/11/10/885021110.db2.gz DQFHLZMBGHMUBM-LBPRGKRZSA-N 2 3 268.405 -0.098 20 0 CBADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC001335266910 888477325 /nfs/dbraw/zinc/47/73/25/888477325.db2.gz ICJSZBIKZWBXCU-IACUBPJLSA-N 2 3 270.421 -0.249 20 0 CBADHP C[C@@]1(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110363 354781565 /nfs/dbraw/zinc/78/15/65/354781565.db2.gz AROPHKQOHBZBJK-TZMCWYRMSA-N 2 3 268.405 -0.227 20 0 CBADHP C[C@@H]1C[C@H](C[N@@H+]2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]1 ZINC000572498226 354893059 /nfs/dbraw/zinc/89/30/59/354893059.db2.gz MJWSVLXZXXXQBK-FVCCEPFGSA-N 2 3 266.389 -0.382 20 0 CBADHP C[C@@H]1C[C@H](C[N@H+]2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]1 ZINC000572498226 354893062 /nfs/dbraw/zinc/89/30/62/354893062.db2.gz MJWSVLXZXXXQBK-FVCCEPFGSA-N 2 3 266.389 -0.382 20 0 CBADHP [NH3+]CCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584113638 327040709 /nfs/dbraw/zinc/04/07/09/327040709.db2.gz ZUWNTYOBFFXOQO-STQMWFEESA-N 2 3 268.405 -0.085 20 0 CBADHP [NH3+]CCOCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549714 583846413 /nfs/dbraw/zinc/84/64/13/583846413.db2.gz PPIVCUVQFDZNTN-OLZOCXBDSA-N 2 3 298.387 -0.781 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711470 583928077 /nfs/dbraw/zinc/92/80/77/583928077.db2.gz LIUCQOIXWBJLGE-YIYPIFLZSA-N 2 3 294.399 -0.147 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866711470 583928078 /nfs/dbraw/zinc/92/80/78/583928078.db2.gz LIUCQOIXWBJLGE-YIYPIFLZSA-N 2 3 294.399 -0.147 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716603 584895687 /nfs/dbraw/zinc/89/56/87/584895687.db2.gz QAVDNCIBROUWMT-LSDHHAIUSA-N 2 3 282.432 -0.408 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923288123 658193820 /nfs/dbraw/zinc/19/38/20/658193820.db2.gz XQKFOGXHUNHPNI-CYBMUJFWSA-N 2 3 268.405 -0.798 20 0 CBADHP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[C@@H]1[NH3+] ZINC001157799328 815468576 /nfs/dbraw/zinc/46/85/76/815468576.db2.gz KLGBENVXBXMGHO-NRWUCQMLSA-N 2 3 266.389 -0.619 20 0 CBADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157844912 815471113 /nfs/dbraw/zinc/47/11/13/815471113.db2.gz YIVDLYAJVDFKOS-RTXFEEFZSA-N 2 3 268.405 -0.101 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168095 815508561 /nfs/dbraw/zinc/50/85/61/815508561.db2.gz BKQMVFMKGPGXIJ-NSHDSACASA-N 2 3 286.445 -0.250 20 0 CBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306382 815519550 /nfs/dbraw/zinc/51/95/50/815519550.db2.gz RNCZHQSAMCFWGZ-RWMBFGLXSA-N 2 3 278.400 -0.319 20 0 CBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306382 815519556 /nfs/dbraw/zinc/51/95/56/815519556.db2.gz RNCZHQSAMCFWGZ-RWMBFGLXSA-N 2 3 278.400 -0.319 20 0 CBADHP N[C@H](C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC001158306783 815519707 /nfs/dbraw/zinc/51/97/07/815519707.db2.gz WYXOGHPRJGGBBY-TUAOUCFPSA-N 2 3 252.362 -0.866 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC001118276666 812516962 /nfs/dbraw/zinc/51/69/62/812516962.db2.gz AVQATIXTIIQYGD-JHJVBQTASA-N 2 3 268.405 -0.005 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC001118276666 812516966 /nfs/dbraw/zinc/51/69/66/812516966.db2.gz AVQATIXTIIQYGD-JHJVBQTASA-N 2 3 268.405 -0.005 20 0 CBADHP N[C@H](C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C1CC[NH2+]CC1 ZINC001158579863 815539754 /nfs/dbraw/zinc/53/97/54/815539754.db2.gz YOXRFVYBMVMJSP-UPJWGTAASA-N 2 3 298.406 -0.151 20 0 CBADHP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2C1 ZINC001160704523 815660727 /nfs/dbraw/zinc/66/07/27/815660727.db2.gz LIMNQBMDMQBKNF-AXFHLTTASA-N 2 3 272.418 -0.974 20 0 CBADHP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2C1 ZINC001160704523 815660733 /nfs/dbraw/zinc/66/07/33/815660733.db2.gz LIMNQBMDMQBKNF-AXFHLTTASA-N 2 3 272.418 -0.974 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915797 815687128 /nfs/dbraw/zinc/68/71/28/815687128.db2.gz MZHGHVFUWAKOFF-NSHDSACASA-N 2 3 278.360 -0.762 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967025 815690958 /nfs/dbraw/zinc/69/09/58/815690958.db2.gz IRFYQEUXIYZKSM-YUMQZZPRSA-N 2 3 250.293 -0.753 20 0 CBADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161050473 815705428 /nfs/dbraw/zinc/70/54/28/815705428.db2.gz NPCNJUKMMVWFNY-CHWSQXEVSA-N 2 3 280.416 -0.264 20 0 CBADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161050473 815705432 /nfs/dbraw/zinc/70/54/32/815705432.db2.gz NPCNJUKMMVWFNY-CHWSQXEVSA-N 2 3 280.416 -0.264 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001161081633 815708890 /nfs/dbraw/zinc/70/88/90/815708890.db2.gz LDKYGKXGRXBHBC-MCIONIFRSA-N 2 3 280.416 -0.134 20 0 CBADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001161175431 815724527 /nfs/dbraw/zinc/72/45/27/815724527.db2.gz LWVVJMTWMXTEGI-MCIONIFRSA-N 2 3 292.427 -0.404 20 0 CBADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]2C1 ZINC001161175279 815725077 /nfs/dbraw/zinc/72/50/77/815725077.db2.gz KEWCUYOHSACMRZ-FRRDWIJNSA-N 2 3 268.405 -0.147 20 0 CBADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]2C1 ZINC001161175279 815725081 /nfs/dbraw/zinc/72/50/81/815725081.db2.gz KEWCUYOHSACMRZ-FRRDWIJNSA-N 2 3 268.405 -0.147 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412773 815751067 /nfs/dbraw/zinc/75/10/67/815751067.db2.gz MLCYJFGIGOHNIO-YFKTTZPYSA-N 2 3 254.378 -0.362 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414460 815753054 /nfs/dbraw/zinc/75/30/54/815753054.db2.gz XCSUHAPZMXZPOV-NAKRPEOUSA-N 2 3 272.418 -0.799 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001161530436 815768177 /nfs/dbraw/zinc/76/81/77/815768177.db2.gz ZQFDKKSDWBKYQE-WOPDTQHZSA-N 2 3 256.394 -0.006 20 0 CBADHP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001219345235 824695565 /nfs/dbraw/zinc/69/55/65/824695565.db2.gz DOWQVCJHWBFSLJ-LBPRGKRZSA-N 2 3 260.341 -0.107 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611445 824854062 /nfs/dbraw/zinc/85/40/62/824854062.db2.gz ZAZXRYFAFCKKAC-VXNVDRBHSA-N 2 3 268.283 -0.537 20 0 CBADHP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219610817 824854084 /nfs/dbraw/zinc/85/40/84/824854084.db2.gz RZSZEUQHAQIVNU-KWQFWETISA-N 2 3 292.305 -0.794 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)C2CC[NH2+]CC2)C[NH2+]1 ZINC001219684550 824877480 /nfs/dbraw/zinc/87/74/80/824877480.db2.gz POVQHBLSFMWUEL-FOGDFJRCSA-N 2 3 254.378 -0.573 20 0 CBADHP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001219954476 824921632 /nfs/dbraw/zinc/92/16/32/824921632.db2.gz JSMBEAXCHGHXSF-ZDUSSCGKSA-N 2 3 280.416 -0.214 20 0 CBADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001219978589 824927017 /nfs/dbraw/zinc/92/70/17/824927017.db2.gz PIZXTPWWBXPPAJ-NEPJUHHUSA-N 2 3 256.394 -0.099 20 0 CBADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001219978589 824927020 /nfs/dbraw/zinc/92/70/20/824927020.db2.gz PIZXTPWWBXPPAJ-NEPJUHHUSA-N 2 3 256.394 -0.099 20 0 CBADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H](N)CCC[NH3+])C1 ZINC001219978590 824928109 /nfs/dbraw/zinc/92/81/09/824928109.db2.gz PIZXTPWWBXPPAJ-NWDGAFQWSA-N 2 3 256.394 -0.099 20 0 CBADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H](N)CCC[NH3+])C1 ZINC001219978590 824928115 /nfs/dbraw/zinc/92/81/15/824928115.db2.gz PIZXTPWWBXPPAJ-NWDGAFQWSA-N 2 3 256.394 -0.099 20 0 CBADHP N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220044950 824942011 /nfs/dbraw/zinc/94/20/11/824942011.db2.gz FQCRBMUVBNHVRT-LBPRGKRZSA-N 2 3 263.345 -0.607 20 0 CBADHP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220161248 824974688 /nfs/dbraw/zinc/97/46/88/824974688.db2.gz AXNYQMBTFLMWBC-IPYPFGDCSA-N 2 3 292.427 -0.166 20 0 CBADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220251803 824996120 /nfs/dbraw/zinc/99/61/20/824996120.db2.gz FYTNKMJKHXIOCQ-QWHCGFSZSA-N 2 3 268.405 -0.086 20 0 CBADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220251803 824996121 /nfs/dbraw/zinc/99/61/21/824996121.db2.gz FYTNKMJKHXIOCQ-QWHCGFSZSA-N 2 3 268.405 -0.086 20 0 CBADHP N[C@@H](C(=O)NCC1([NH3+])CCCC1)C1CC[NH2+]CC1 ZINC001220497384 825050714 /nfs/dbraw/zinc/05/07/14/825050714.db2.gz UHAHSOUDXZHDNB-LLVKDONJSA-N 2 3 254.378 -0.299 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884690 825120207 /nfs/dbraw/zinc/12/02/07/825120207.db2.gz KXCKJLMJMZILNK-RYUDHWBXSA-N 2 3 256.394 -0.086 20 0 CBADHP [NH3+]CCN(C(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(F)cc1 ZINC001221060440 825140220 /nfs/dbraw/zinc/14/02/20/825140220.db2.gz ABQBZOZWQHCTNX-CYBMUJFWSA-N 2 3 292.358 -0.074 20 0 CBADHP CN1CCC[C@@](C)(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244018 825160709 /nfs/dbraw/zinc/16/07/09/825160709.db2.gz OTYICEIHWCEICA-TZMCWYRMSA-N 2 3 268.405 -0.086 20 0 CBADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001221389612 825180687 /nfs/dbraw/zinc/18/06/87/825180687.db2.gz LZZFWLBFWJPMRV-URLYPYJESA-N 2 3 267.377 -0.484 20 0 CBADHP CC(C)N(C(=O)[C@H]1C[NH2+]CC12CNC2)C(C)(C)C[NH3+] ZINC001221394867 825181683 /nfs/dbraw/zinc/18/16/83/825181683.db2.gz WBDAKLZVPVXINV-LLVKDONJSA-N 2 3 268.405 -0.230 20 0 CBADHP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221410810 825186038 /nfs/dbraw/zinc/18/60/38/825186038.db2.gz RLPSOCMVTMUEMH-QWHCGFSZSA-N 2 3 278.400 -0.700 20 0 CBADHP C(C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)[C@@H]1CNCCO1 ZINC001222086242 825199653 /nfs/dbraw/zinc/19/96/53/825199653.db2.gz USQNBQKHNMLMIJ-CYBMUJFWSA-N 2 3 268.405 -0.608 20 0 CBADHP C(C[N@H+]1CCNC2(CC[NH2+]CC2)C1)[C@@H]1CNCCO1 ZINC001222086242 825199657 /nfs/dbraw/zinc/19/96/57/825199657.db2.gz USQNBQKHNMLMIJ-CYBMUJFWSA-N 2 3 268.405 -0.608 20 0 CBADHP C[NH+](C)CCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364344 825600105 /nfs/dbraw/zinc/60/01/05/825600105.db2.gz ZPRDAIOXNGDOLR-GFCCVEGCSA-N 2 3 299.488 -0.114 20 0 CBADHP C[C@@H]1CC[C@@H](CNC[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977537 825616429 /nfs/dbraw/zinc/61/64/29/825616429.db2.gz WRIJRJQCGBABKX-HZSPNIEDSA-N 2 3 285.432 -0.170 20 0 CBADHP NC[C@@]1(O)CCCC[N@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024796 825624207 /nfs/dbraw/zinc/62/42/07/825624207.db2.gz RDOCTYLZBNSQBE-ZDUSSCGKSA-N 2 3 257.378 -0.723 20 0 CBADHP NC[C@@]1(O)CCCC[N@@H+](CC2(O)CC[NH2+]CC2)C1 ZINC001246024796 825624214 /nfs/dbraw/zinc/62/42/14/825624214.db2.gz RDOCTYLZBNSQBE-ZDUSSCGKSA-N 2 3 257.378 -0.723 20 0 CBADHP C(N[C@@H]1CCC[NH2+]C1)[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141142 825640202 /nfs/dbraw/zinc/64/02/02/825640202.db2.gz COHMVANPWXOSMU-MJBXVCDLSA-N 2 3 269.389 -0.277 20 0 CBADHP F[C@@H]1CCNC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246220728 825653517 /nfs/dbraw/zinc/65/35/17/825653517.db2.gz HQMTWHACNWKQKU-SDDRHHMPSA-N 2 3 256.369 -0.382 20 0 CBADHP NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246418455 825673231 /nfs/dbraw/zinc/67/32/31/825673231.db2.gz RDKNNHFVJKYOAJ-UWVGGRQHSA-N 2 3 272.418 -0.594 20 0 CBADHP C1CC12CNCC[C@@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475275 825675914 /nfs/dbraw/zinc/67/59/14/825675914.db2.gz UOUIQCCGIQAWSL-NEPJUHHUSA-N 2 3 250.390 -0.188 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246540886 825682963 /nfs/dbraw/zinc/68/29/63/825682963.db2.gz FTBUVZRAOZVZSQ-OLZOCXBDSA-N 2 3 269.389 -0.317 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246540886 825682965 /nfs/dbraw/zinc/68/29/65/825682965.db2.gz FTBUVZRAOZVZSQ-OLZOCXBDSA-N 2 3 269.389 -0.317 20 0 CBADHP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1[NH3+] ZINC001326501400 885049699 /nfs/dbraw/zinc/04/96/99/885049699.db2.gz DYNOBXYBQZMPKM-FRRDWIJNSA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1[NH3+] ZINC001326501400 885049710 /nfs/dbraw/zinc/04/97/10/885049710.db2.gz DYNOBXYBQZMPKM-FRRDWIJNSA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@H]1[NH3+] ZINC001326501401 885048949 /nfs/dbraw/zinc/04/89/49/885048949.db2.gz DYNOBXYBQZMPKM-JHJVBQTASA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@H]1[NH3+] ZINC001326501401 885048964 /nfs/dbraw/zinc/04/89/64/885048964.db2.gz DYNOBXYBQZMPKM-JHJVBQTASA-N 2 3 268.405 -0.147 20 0 CBADHP COc1ccc([C@H](C[NH3+])CNC(CN)C[NH3+])cc1 ZINC001335191033 888440857 /nfs/dbraw/zinc/44/08/57/888440857.db2.gz XKKHKWHDHQJZLT-LLVKDONJSA-N 2 3 252.362 -0.387 20 0 CBADHP C(C[N@@H+]1CCNCCC12CCOCC2)N1CC[NH2+]CC1 ZINC001337825036 889084215 /nfs/dbraw/zinc/08/42/15/889084215.db2.gz UCVUWOCZUOKOAR-UHFFFAOYSA-N 2 3 282.432 -0.264 20 0 CBADHP C(C[N@H+]1CCNCCC12CCOCC2)N1CC[NH2+]CC1 ZINC001337825036 889084225 /nfs/dbraw/zinc/08/42/25/889084225.db2.gz UCVUWOCZUOKOAR-UHFFFAOYSA-N 2 3 282.432 -0.264 20 0 CBADHP CN(C(=O)CNCC[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001342238270 889735195 /nfs/dbraw/zinc/73/51/95/889735195.db2.gz YEMNQMVHNXNDOD-AWEZNQCLSA-N 2 3 297.447 -0.838 20 0 CBADHP C[NH2+]CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563799320 354705443 /nfs/dbraw/zinc/70/54/43/354705443.db2.gz RGDGHVDJQJAXJO-UHFFFAOYSA-N 2 3 259.398 -0.659 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000564969463 354722737 /nfs/dbraw/zinc/72/27/37/354722737.db2.gz XUSUXRPVRRQZHQ-QWHCGFSZSA-N 2 3 268.405 -0.227 20 0 CBADHP C(CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000530240110 374069772 /nfs/dbraw/zinc/06/97/72/374069772.db2.gz KRPHXDFYXXGURB-INIZCTEOSA-N 2 3 296.459 -0.018 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000584459541 374373522 /nfs/dbraw/zinc/37/35/22/374373522.db2.gz UDYCHGHNLWXOCR-ZDUSSCGKSA-N 2 3 285.436 -0.127 20 0 CBADHP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000647492572 419594560 /nfs/dbraw/zinc/59/45/60/419594560.db2.gz KWYZYPVROFELPX-AWEZNQCLSA-N 2 3 297.447 -0.979 20 0 CBADHP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000647492572 419594567 /nfs/dbraw/zinc/59/45/67/419594567.db2.gz KWYZYPVROFELPX-AWEZNQCLSA-N 2 3 297.447 -0.979 20 0 CBADHP C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000659648918 420442797 /nfs/dbraw/zinc/44/27/97/420442797.db2.gz WAPGLDLKUGRMMA-GFCCVEGCSA-N 2 3 273.425 -0.271 20 0 CBADHP C[NH2+]C[C@](C)(O)CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000563271478 328005540 /nfs/dbraw/zinc/00/55/40/328005540.db2.gz TUFUIRZAVGHAOR-HIFRSBDPSA-N 2 3 287.448 -0.019 20 0 CBADHP C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000857112181 583665780 /nfs/dbraw/zinc/66/57/80/583665780.db2.gz HJISCLLXQBAPTG-LBPRGKRZSA-N 2 3 273.425 -0.142 20 0 CBADHP CN(CCOCC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769921 584898364 /nfs/dbraw/zinc/89/83/64/584898364.db2.gz RLPIBRBRIZVEDV-QWHCGFSZSA-N 2 3 257.378 -0.338 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(C)(C)N)C2 ZINC000903977257 584905534 /nfs/dbraw/zinc/90/55/34/584905534.db2.gz MVCCICVRCHDMDT-CWSCBRNRSA-N 2 3 255.362 -0.064 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(C)(C)N)C2 ZINC000903977257 584905536 /nfs/dbraw/zinc/90/55/36/584905536.db2.gz MVCCICVRCHDMDT-CWSCBRNRSA-N 2 3 255.362 -0.064 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420454 656326428 /nfs/dbraw/zinc/32/64/28/656326428.db2.gz OZARZRXPDXTKMA-MELADBBJSA-N 2 3 280.416 -0.275 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420454 656326432 /nfs/dbraw/zinc/32/64/32/656326432.db2.gz OZARZRXPDXTKMA-MELADBBJSA-N 2 3 280.416 -0.275 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157756311 815463320 /nfs/dbraw/zinc/46/33/20/815463320.db2.gz WWPRYQBWOJRVQK-JQWIXIFHSA-N 2 3 292.424 -0.315 20 0 CBADHP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157844631 815471178 /nfs/dbraw/zinc/47/11/78/815471178.db2.gz WQGIWQXDKOCOKL-AXFHLTTASA-N 2 3 274.434 -0.409 20 0 CBADHP O=C(N1CCC[C@@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158162293 815507172 /nfs/dbraw/zinc/50/71/72/815507172.db2.gz WYWMNIJTAODJKL-FVQBIDKESA-N 2 3 292.427 -0.070 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161844 815507360 /nfs/dbraw/zinc/50/73/60/815507360.db2.gz RGMWIUVSOMKIQT-WCQYABFASA-N 2 3 286.445 -0.250 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187214 815510363 /nfs/dbraw/zinc/51/03/63/815510363.db2.gz ONMIMDZFBOPSMQ-LXVYMNJGSA-N 2 3 268.405 -0.005 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567834 815538538 /nfs/dbraw/zinc/53/85/38/815538538.db2.gz KQZXHINAOUBAHK-DCAQKATOSA-N 2 3 272.368 -0.412 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579600 815539207 /nfs/dbraw/zinc/53/92/07/815539207.db2.gz VPTWHOWDVLJGNX-WOPDTQHZSA-N 2 3 286.395 -0.022 20 0 CBADHP CN(C)C1(C)CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160644329 815650653 /nfs/dbraw/zinc/65/06/53/815650653.db2.gz BYRIOZJCRRYHBX-NSHDSACASA-N 2 3 256.394 -0.005 20 0 CBADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160695410 815658455 /nfs/dbraw/zinc/65/84/55/815658455.db2.gz LBPPKZKTLNBGFQ-UMVBOHGHSA-N 2 3 280.416 -0.357 20 0 CBADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160695443 815659152 /nfs/dbraw/zinc/65/91/52/815659152.db2.gz LNTQLHADBAHLJG-RYUDHWBXSA-N 2 3 256.394 -0.099 20 0 CBADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160694699 815659413 /nfs/dbraw/zinc/65/94/13/815659413.db2.gz DCLSUAZYCVWLQL-VXGBXAGGSA-N 2 3 266.389 -0.747 20 0 CBADHP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]2C1 ZINC001160705318 815662273 /nfs/dbraw/zinc/66/22/73/815662273.db2.gz VEBPQTNSZCBLPE-TUAOUCFPSA-N 2 3 254.378 -0.537 20 0 CBADHP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]2C1 ZINC001160705318 815662280 /nfs/dbraw/zinc/66/22/80/815662280.db2.gz VEBPQTNSZCBLPE-TUAOUCFPSA-N 2 3 254.378 -0.537 20 0 CBADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160965170 815691263 /nfs/dbraw/zinc/69/12/63/815691263.db2.gz UFBFMSHDOIFXAG-NTZNESFSSA-N 2 3 254.378 -0.537 20 0 CBADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160964646 815691461 /nfs/dbraw/zinc/69/14/61/815691461.db2.gz RDEQAGXPFLHZCX-RRCSTGOVSA-N 2 3 292.427 -0.404 20 0 CBADHP N[C@@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009742 815695153 /nfs/dbraw/zinc/69/51/53/815695153.db2.gz XSJNWTYXWFPHOQ-CHWSQXEVSA-N 2 3 296.415 -0.971 20 0 CBADHP CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058548 815706268 /nfs/dbraw/zinc/70/62/68/815706268.db2.gz XSBSOUMQKUDRGX-TUAOUCFPSA-N 2 3 266.389 -0.476 20 0 CBADHP CN(C(=O)[C@@H](N)CSCC[NH3+])C1(C)CC[NH2+]CC1 ZINC001161074336 815707669 /nfs/dbraw/zinc/70/76/69/815707669.db2.gz ZNMKXEFKBUGPPB-JTQLQIEISA-N 2 3 274.434 -0.394 20 0 CBADHP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219192 815728771 /nfs/dbraw/zinc/72/87/71/815728771.db2.gz OEKWAFXHHCPAQX-QNWHQSFQSA-N 2 3 278.400 -0.463 20 0 CBADHP CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219192 815728772 /nfs/dbraw/zinc/72/87/72/815728772.db2.gz OEKWAFXHHCPAQX-QNWHQSFQSA-N 2 3 278.400 -0.463 20 0 CBADHP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]12 ZINC001161414468 815753256 /nfs/dbraw/zinc/75/32/56/815753256.db2.gz XEYBHXQMMUROGU-GGAZOKNXSA-N 2 3 278.400 -0.619 20 0 CBADHP C[NH+](C)CCN(C(=O)C1(N)CC1)[C@H]1CCC[NH2+]C1 ZINC001161446832 815755653 /nfs/dbraw/zinc/75/56/53/815755653.db2.gz VFENOWRPVKNNRO-NSHDSACASA-N 2 3 254.378 -0.380 20 0 CBADHP CN(C)CCN(C(=O)[C@@]12C[C@@H]1CC[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161448249 815755774 /nfs/dbraw/zinc/75/57/74/815755774.db2.gz AFKDNRQHHXJKPZ-GZBFAFLISA-N 2 3 280.416 -0.119 20 0 CBADHP CN(C)CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161443176 815755822 /nfs/dbraw/zinc/75/58/22/815755822.db2.gz LYGSWYFXKJXWHC-RQJABVFESA-N 2 3 280.416 -0.121 20 0 CBADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161489528 815761948 /nfs/dbraw/zinc/76/19/48/815761948.db2.gz UOSWICLEQOHPMR-GXTWGEPZSA-N 2 3 268.405 -0.099 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511333 815765979 /nfs/dbraw/zinc/76/59/79/815765979.db2.gz YROFBYFQZONBIX-NWDGAFQWSA-N 2 3 284.404 -0.768 20 0 CBADHP [NH3+][C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC12COC2 ZINC001161511115 815766056 /nfs/dbraw/zinc/76/60/56/815766056.db2.gz WQLMZZCSZAFQRC-RYUDHWBXSA-N 2 3 294.399 -0.953 20 0 CBADHP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C2 ZINC001169109476 820209274 /nfs/dbraw/zinc/20/92/74/820209274.db2.gz IZIXYQFJPFSEHD-ZSBIGDGJSA-N 2 3 286.380 -0.251 20 0 CBADHP CC[NH+](CC)CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219555807 824729017 /nfs/dbraw/zinc/72/90/17/824729017.db2.gz SRDFXWOJXMCVCG-NSHDSACASA-N 2 3 254.378 -0.747 20 0 CBADHP N[C@H](C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610069 824854480 /nfs/dbraw/zinc/85/44/80/824854480.db2.gz KMDKNCANPGBZFI-GXSJLCMTSA-N 2 3 294.321 -0.276 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611171 824854674 /nfs/dbraw/zinc/85/46/74/824854674.db2.gz WWOGLYSZJLVUNF-WPRPVWTQSA-N 2 3 282.310 -0.147 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219646607 824873015 /nfs/dbraw/zinc/87/30/15/824873015.db2.gz VXQNARYQZWKPOL-SRVKXCTJSA-N 2 3 256.394 -0.196 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741494 824888454 /nfs/dbraw/zinc/88/84/54/824888454.db2.gz MBBJOENPRBWKPQ-NEPJUHHUSA-N 2 3 284.404 -0.530 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771589 824892019 /nfs/dbraw/zinc/89/20/19/824892019.db2.gz PQTXISFNHJXBRK-ONGXEEELSA-N 2 3 278.397 -0.787 20 0 CBADHP N[C@@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219777796 824893097 /nfs/dbraw/zinc/89/30/97/824893097.db2.gz QSAOGZSWUFHHRB-CYBMUJFWSA-N 2 3 280.416 -0.038 20 0 CBADHP C[C@H](C[NH+](C)C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219916202 824913776 /nfs/dbraw/zinc/91/37/76/824913776.db2.gz NRFUIJGNHWKPFE-NQBHXWOUSA-N 2 3 254.378 -0.748 20 0 CBADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219980498 824928752 /nfs/dbraw/zinc/92/87/52/824928752.db2.gz JIFRXSCYTJWWFM-RYUDHWBXSA-N 2 3 288.461 -0.146 20 0 CBADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219980498 824928756 /nfs/dbraw/zinc/92/87/56/824928756.db2.gz JIFRXSCYTJWWFM-RYUDHWBXSA-N 2 3 288.461 -0.146 20 0 CBADHP N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220044885 824941921 /nfs/dbraw/zinc/94/19/21/824941921.db2.gz CSHSLBFUUAVTJC-JTQLQIEISA-N 2 3 251.334 -0.477 20 0 CBADHP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220043188 824942185 /nfs/dbraw/zinc/94/21/85/824942185.db2.gz IMQSKAHBCCVAKE-NSHDSACASA-N 2 3 278.360 -0.903 20 0 CBADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220220764 824989995 /nfs/dbraw/zinc/98/99/95/824989995.db2.gz DNTYSHPHMAKDLS-SRVKXCTJSA-N 2 3 288.461 -0.005 20 0 CBADHP [NH3+]CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cccnc1 ZINC001220260982 824998144 /nfs/dbraw/zinc/99/81/44/824998144.db2.gz MTNQYBYEYLCAQD-IUODEOHRSA-N 2 3 289.383 -0.428 20 0 CBADHP N[C@@H](C(=O)N(CC[NH3+])c1cccnc1)C1CC[NH2+]CC1 ZINC001220263444 824999559 /nfs/dbraw/zinc/99/95/59/824999559.db2.gz KDQFFJKYJCWOAX-CYBMUJFWSA-N 2 3 277.372 -0.300 20 0 CBADHP N[C@H](C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319149 825014184 /nfs/dbraw/zinc/01/41/84/825014184.db2.gz DIPINENMSIWVRQ-YDHLFZDLSA-N 2 3 296.415 -0.659 20 0 CBADHP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001220499990 825052136 /nfs/dbraw/zinc/05/21/36/825052136.db2.gz GEBLDINUWHSWPA-CHWSQXEVSA-N 2 3 274.368 -0.388 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220502005 825052319 /nfs/dbraw/zinc/05/23/19/825052319.db2.gz XHQMXLPOLPLPRV-RYUDHWBXSA-N 2 3 282.413 -0.178 20 0 CBADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001220716922 825093995 /nfs/dbraw/zinc/09/39/95/825093995.db2.gz UZWPJAVVAYAISH-YIYPIFLZSA-N 2 3 292.427 -0.073 20 0 CBADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001220716922 825094000 /nfs/dbraw/zinc/09/40/00/825094000.db2.gz UZWPJAVVAYAISH-YIYPIFLZSA-N 2 3 292.427 -0.073 20 0 CBADHP C[C@@]1([NH3+])C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001221238603 825158946 /nfs/dbraw/zinc/15/89/46/825158946.db2.gz AACMTMVIMTXMDS-VCDKRKBESA-N 2 3 252.362 -0.819 20 0 CBADHP CN1CCC[C@](C)(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244017 825160656 /nfs/dbraw/zinc/16/06/56/825160656.db2.gz OTYICEIHWCEICA-OCCSQVGLSA-N 2 3 268.405 -0.086 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408117 825185497 /nfs/dbraw/zinc/18/54/97/825185497.db2.gz HGJAFNWFJFZICW-NEPJUHHUSA-N 2 3 254.378 -0.443 20 0 CBADHP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC12CNC2 ZINC001221410804 825185721 /nfs/dbraw/zinc/18/57/21/825185721.db2.gz RLPSOCMVTMUEMH-CHWSQXEVSA-N 2 3 278.400 -0.700 20 0 CBADHP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221408772 825185942 /nfs/dbraw/zinc/18/59/42/825185942.db2.gz KTTRQXCCMGXVAO-IIAWOOMASA-N 2 3 292.427 -0.310 20 0 CBADHP C[C@@H]1CC[C@@H](CNC[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245977556 825616915 /nfs/dbraw/zinc/61/69/15/825616915.db2.gz WRIJRJQCGBABKX-RDBSUJKOSA-N 2 3 285.432 -0.170 20 0 CBADHP O[C@@]1(CNC[C@@H]2CCC3(CCNCC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988258 825617584 /nfs/dbraw/zinc/61/75/84/825617584.db2.gz VAQJHOXKCNYTSE-ZFWWWQNUSA-N 2 3 282.432 -0.435 20 0 CBADHP O[C@]1(CNC[C@@H]2CCC3(CCNCC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988255 825617618 /nfs/dbraw/zinc/61/76/18/825617618.db2.gz VAQJHOXKCNYTSE-DZGCQCFKSA-N 2 3 282.432 -0.435 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989289 825617876 /nfs/dbraw/zinc/61/78/76/825617876.db2.gz FQTJFTUDRYRXDA-MELADBBJSA-N 2 3 285.432 -0.313 20 0 CBADHP O[C@@]1(C[NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNC[C@@H]1F ZINC001246079836 825633927 /nfs/dbraw/zinc/63/39/27/825633927.db2.gz FRJGRUGSQANSHH-CKIKVBCHSA-N 2 3 257.353 -0.364 20 0 CBADHP COC(=O)C1C[C@@H]2CC(NCCNCC[NH3+])C[C@H](C1)[NH2+]2 ZINC001246406891 825671753 /nfs/dbraw/zinc/67/17/53/825671753.db2.gz VTAWKVXUWMICEP-BPNZPQAUSA-N 2 3 284.404 -0.804 20 0 CBADHP C1CC12CNCC[C@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246475278 825676229 /nfs/dbraw/zinc/67/62/29/825676229.db2.gz UOUIQCCGIQAWSL-VXGBXAGGSA-N 2 3 250.390 -0.188 20 0 CBADHP C1NCC12C[C@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598446 825693840 /nfs/dbraw/zinc/69/38/40/825693840.db2.gz BHQPCCZSQOOYJB-CYBMUJFWSA-N 2 3 280.416 -0.465 20 0 CBADHP C1NCC12C[C@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCO2 ZINC001246598446 825693843 /nfs/dbraw/zinc/69/38/43/825693843.db2.gz BHQPCCZSQOOYJB-CYBMUJFWSA-N 2 3 280.416 -0.465 20 0 CBADHP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3CNCC[C@H]31)CCN2 ZINC001246625095 825697071 /nfs/dbraw/zinc/69/70/71/825697071.db2.gz QZJZMKZCSAZWJZ-YNEHKIRRSA-N 2 3 250.390 -0.236 20 0 CBADHP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3CNCC[C@H]31)CCN2 ZINC001246625095 825697075 /nfs/dbraw/zinc/69/70/75/825697075.db2.gz QZJZMKZCSAZWJZ-YNEHKIRRSA-N 2 3 250.390 -0.236 20 0 CBADHP NCC(=O)N1CCC[C@H](C[NH2+]CCC2(C[NH3+])CC2)C1 ZINC001326412921 885020208 /nfs/dbraw/zinc/02/02/08/885020208.db2.gz DQFHLZMBGHMUBM-GFCCVEGCSA-N 2 3 268.405 -0.098 20 0 CBADHP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1[NH3+] ZINC001326501405 885049419 /nfs/dbraw/zinc/04/94/19/885049419.db2.gz DYNOBXYBQZMPKM-UPJWGTAASA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1[NH3+] ZINC001326501405 885049435 /nfs/dbraw/zinc/04/94/35/885049435.db2.gz DYNOBXYBQZMPKM-UPJWGTAASA-N 2 3 268.405 -0.147 20 0 CBADHP [NH3+]C[C@@]12CCC[C@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC001549117096 923558203 /nfs/dbraw/zinc/55/82/03/923558203.db2.gz PZQILGWXMNKDEG-UONOGXRCSA-N 2 3 252.406 -0.048 20 0 CBADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550935058 923754595 /nfs/dbraw/zinc/75/45/95/923754595.db2.gz PBVJGFGIIXVVGZ-AGIUHOORSA-N 2 3 251.374 -0.094 20 0 CBADHP N[C@H]1C[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973597 923931885 /nfs/dbraw/zinc/93/18/85/923931885.db2.gz RDKPTSIENXTOQC-GTGGMXTKSA-N 2 3 278.400 -0.239 20 0 CBADHP N[C@H]1C[C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973597 923931898 /nfs/dbraw/zinc/93/18/98/923931898.db2.gz RDKPTSIENXTOQC-GTGGMXTKSA-N 2 3 278.400 -0.239 20 0 CBADHP CNC[C@](C)(O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570100740 354854927 /nfs/dbraw/zinc/85/49/27/354854927.db2.gz UTYYZFASBFYYSZ-RDBSUJKOSA-N 2 3 271.405 -0.215 20 0 CBADHP C[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575567 355735671 /nfs/dbraw/zinc/73/56/71/355735671.db2.gz HNROONTYVKQOMT-QCODTGAPSA-N 2 3 278.444 -0.075 20 0 CBADHP C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151007 355746499 /nfs/dbraw/zinc/74/64/99/355746499.db2.gz ZSTUQNQBBGCBPG-TUVASFSCSA-N 2 3 264.417 -0.321 20 0 CBADHP CN(C)CCCS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000631941448 356929577 /nfs/dbraw/zinc/92/95/77/356929577.db2.gz XLQYWHUIWLURKX-UHFFFAOYSA-N 2 3 280.438 -0.733 20 0 CBADHP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000262107330 419599919 /nfs/dbraw/zinc/59/99/19/419599919.db2.gz JWUPILCIDSPTCO-CQSZACIVSA-N 2 3 252.406 -0.035 20 0 CBADHP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000262107330 419599925 /nfs/dbraw/zinc/59/99/25/419599925.db2.gz JWUPILCIDSPTCO-CQSZACIVSA-N 2 3 252.406 -0.035 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647828429 419666403 /nfs/dbraw/zinc/66/64/03/419666403.db2.gz CZDSGDZPPPCJTF-NEPJUHHUSA-N 2 3 254.378 -0.617 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659619623 420439302 /nfs/dbraw/zinc/43/93/02/420439302.db2.gz ZNVOQFVWIAZANK-UHFFFAOYSA-N 2 3 297.447 -0.127 20 0 CBADHP C[NH2+]CCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000582954550 329293374 /nfs/dbraw/zinc/29/33/74/329293374.db2.gz YOKABZLLKPLESY-UHFFFAOYSA-N 2 3 273.425 -0.269 20 0 CBADHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)C1 ZINC000903475748 584891176 /nfs/dbraw/zinc/89/11/76/584891176.db2.gz CDKLOYAVKMCOEW-MRTXSQPYSA-N 2 3 294.399 -0.019 20 0 CBADHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)C1 ZINC000903475748 584891177 /nfs/dbraw/zinc/89/11/77/584891177.db2.gz CDKLOYAVKMCOEW-MRTXSQPYSA-N 2 3 294.399 -0.019 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716602 584895705 /nfs/dbraw/zinc/89/57/05/584895705.db2.gz QAVDNCIBROUWMT-HUUCEWRRSA-N 2 3 282.432 -0.408 20 0 CBADHP C[NH2+]CCOCCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770831 584898353 /nfs/dbraw/zinc/89/83/53/584898353.db2.gz ZDFLBTPQJDSCNK-KGLIPLIRSA-N 2 3 271.405 -0.077 20 0 CBADHP C[NH2+]C[C@@](C)(O)CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453292 658286039 /nfs/dbraw/zinc/28/60/39/658286039.db2.gz WWZYUXGSZJDCRV-QWHCGFSZSA-N 2 3 271.405 -0.213 20 0 CBADHP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2C[NH2+]CCOC2)n1 ZINC000925725457 658869149 /nfs/dbraw/zinc/86/91/49/658869149.db2.gz LAQOUVUKRWKQEA-GFCCVEGCSA-N 2 3 277.372 -0.109 20 0 CBADHP CC1([NH3+])CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157632521 815449512 /nfs/dbraw/zinc/44/95/12/815449512.db2.gz CSAVRPXUMZMGGI-JTQLQIEISA-N 2 3 252.362 -0.580 20 0 CBADHP C[C@@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001157804865 815468302 /nfs/dbraw/zinc/46/83/02/815468302.db2.gz YWTHOYSCSGELQS-ADEWGFFLSA-N 2 3 254.378 -0.491 20 0 CBADHP N[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC001158208053 815513800 /nfs/dbraw/zinc/51/38/00/815513800.db2.gz JSEMEQLYCNOQME-TUAOUCFPSA-N 2 3 252.362 -0.724 20 0 CBADHP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179336 812485588 /nfs/dbraw/zinc/48/55/88/812485588.db2.gz QYUBXKWCBQFANW-YNEHKIRRSA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179336 812485592 /nfs/dbraw/zinc/48/55/92/812485592.db2.gz QYUBXKWCBQFANW-YNEHKIRRSA-N 2 3 268.405 -0.147 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567833 815538117 /nfs/dbraw/zinc/53/81/17/815538117.db2.gz KQZXHINAOUBAHK-AXFHLTTASA-N 2 3 272.368 -0.412 20 0 CBADHP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160643158 815650177 /nfs/dbraw/zinc/65/01/77/815650177.db2.gz AEOKYOSSQWYSTC-RYUDHWBXSA-N 2 3 282.388 -0.953 20 0 CBADHP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160643158 815650180 /nfs/dbraw/zinc/65/01/80/815650180.db2.gz AEOKYOSSQWYSTC-RYUDHWBXSA-N 2 3 282.388 -0.953 20 0 CBADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160694696 815659140 /nfs/dbraw/zinc/65/91/40/815659140.db2.gz DCLSUAZYCVWLQL-NWDGAFQWSA-N 2 3 266.389 -0.747 20 0 CBADHP C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2C1 ZINC001160704617 815661950 /nfs/dbraw/zinc/66/19/50/815661950.db2.gz MKTOFZOHUPWOCH-QVHKTLOISA-N 2 3 278.400 -0.795 20 0 CBADHP C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2C1 ZINC001160704617 815661955 /nfs/dbraw/zinc/66/19/55/815661955.db2.gz MKTOFZOHUPWOCH-QVHKTLOISA-N 2 3 278.400 -0.795 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCOC[C@@H]1CN(C)C ZINC001160838834 815676115 /nfs/dbraw/zinc/67/61/15/815676115.db2.gz ORJRWSBLLROPAE-STQMWFEESA-N 2 3 286.420 -0.508 20 0 CBADHP CN(C)C[C@H]1COCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160837921 815676344 /nfs/dbraw/zinc/67/63/44/815676344.db2.gz FVDJCVHUOJZLHD-STQMWFEESA-N 2 3 286.420 -0.378 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967023 815691837 /nfs/dbraw/zinc/69/18/37/815691837.db2.gz IRFYQEUXIYZKSM-JGVFFNPUSA-N 2 3 250.293 -0.753 20 0 CBADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161049229 815703561 /nfs/dbraw/zinc/70/35/61/815703561.db2.gz DHCIQKOMOFOTPQ-VXGBXAGGSA-N 2 3 256.394 -0.006 20 0 CBADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161049229 815703565 /nfs/dbraw/zinc/70/35/65/815703565.db2.gz DHCIQKOMOFOTPQ-VXGBXAGGSA-N 2 3 256.394 -0.006 20 0 CBADHP CN(C)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161447894 815755795 /nfs/dbraw/zinc/75/57/95/815755795.db2.gz ZUTKNMLNPXIKAM-MQYQWHSLSA-N 2 3 280.416 -0.406 20 0 CBADHP CN(C)CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161443177 815755950 /nfs/dbraw/zinc/75/59/50/815755950.db2.gz LYGSWYFXKJXWHC-SYQHCUMBSA-N 2 3 280.416 -0.121 20 0 CBADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161489211 815760280 /nfs/dbraw/zinc/76/02/80/815760280.db2.gz RIPYOMBHJCBRTA-CMPLNLGQSA-N 2 3 274.434 -0.407 20 0 CBADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(O)CCN(C)CC1 ZINC001182036396 820858689 /nfs/dbraw/zinc/85/86/89/820858689.db2.gz AZDSWWKYTPCMIS-UHFFFAOYSA-N 2 3 299.419 -0.493 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205209315 824375506 /nfs/dbraw/zinc/37/55/06/824375506.db2.gz IMQISOQGYMHJOS-OLZOCXBDSA-N 2 3 257.378 -0.459 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205209315 824375511 /nfs/dbraw/zinc/37/55/11/824375511.db2.gz IMQISOQGYMHJOS-OLZOCXBDSA-N 2 3 257.378 -0.459 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205209312 824375534 /nfs/dbraw/zinc/37/55/34/824375534.db2.gz IMQISOQGYMHJOS-CHWSQXEVSA-N 2 3 257.378 -0.459 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205209312 824375539 /nfs/dbraw/zinc/37/55/39/824375539.db2.gz IMQISOQGYMHJOS-CHWSQXEVSA-N 2 3 257.378 -0.459 20 0 CBADHP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218640069 824613023 /nfs/dbraw/zinc/61/30/23/824613023.db2.gz DUQUIRQPFZBFHS-QMTHXVAHSA-N 2 3 290.371 -0.835 20 0 CBADHP Nc1cn(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccc1=[NH2+] ZINC001218692440 824622660 /nfs/dbraw/zinc/62/26/60/824622660.db2.gz VTKGYCBTKGLWBK-NOZJJQNGSA-N 2 3 261.329 -0.611 20 0 CBADHP N[C@@H](C(=O)Nc1cncc(C[NH3+])c1)C1CC[NH2+]CC1 ZINC001218705524 824626621 /nfs/dbraw/zinc/62/66/21/824626621.db2.gz SLXMLODYFFJUQM-GFCCVEGCSA-N 2 3 263.345 -0.194 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726304 824629151 /nfs/dbraw/zinc/62/91/51/824629151.db2.gz JOJXDKZDZFFCJE-VXGBXAGGSA-N 2 3 293.371 -0.173 20 0 CBADHP C[C@H]1CC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)C[NH2+]1 ZINC001219586942 824737557 /nfs/dbraw/zinc/73/75/57/824737557.db2.gz KFTLKYZNYSWUDS-ZMLRMANQSA-N 2 3 254.378 -0.430 20 0 CBADHP C[C@H]1CC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)C[NH2+]1 ZINC001219586941 824738101 /nfs/dbraw/zinc/73/81/01/824738101.db2.gz KFTLKYZNYSWUDS-DLOVCJGASA-N 2 3 254.378 -0.430 20 0 CBADHP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219635400 824868026 /nfs/dbraw/zinc/86/80/26/824868026.db2.gz FMKXXIUXVNNSMG-SDDRHHMPSA-N 2 3 284.379 -0.323 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001219649951 824873143 /nfs/dbraw/zinc/87/31/43/824873143.db2.gz LWPDONXXUVNWHO-GVXVVHGQSA-N 2 3 268.405 -0.325 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001219649952 824873363 /nfs/dbraw/zinc/87/33/63/824873363.db2.gz LWPDONXXUVNWHO-LOWVWBTDSA-N 2 3 268.405 -0.325 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219651675 824874174 /nfs/dbraw/zinc/87/41/74/824874174.db2.gz XKONCHSHMXAEJK-AXFHLTTASA-N 2 3 274.434 -0.633 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C[NH2+]1 ZINC001219684538 824877703 /nfs/dbraw/zinc/87/77/03/824877703.db2.gz PLNPEOCNIZIMQK-JHJVBQTASA-N 2 3 280.416 -0.025 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001219684538 824877709 /nfs/dbraw/zinc/87/77/09/824877709.db2.gz PLNPEOCNIZIMQK-JHJVBQTASA-N 2 3 280.416 -0.025 20 0 CBADHP C[NH+](C)CCCCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219918437 824915036 /nfs/dbraw/zinc/91/50/36/824915036.db2.gz LXIXWYDDZYWDEU-LBPRGKRZSA-N 2 3 268.405 -0.357 20 0 CBADHP Cc1nccn1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219934726 824916595 /nfs/dbraw/zinc/91/65/95/824916595.db2.gz JRFITWMHELNEHF-ZDUSSCGKSA-N 2 3 294.403 -0.942 20 0 CBADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219978985 824929446 /nfs/dbraw/zinc/92/94/46/824929446.db2.gz XHLAGFXOHDLHRD-QWHCGFSZSA-N 2 3 280.416 -0.357 20 0 CBADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219978985 824929451 /nfs/dbraw/zinc/92/94/51/824929451.db2.gz XHLAGFXOHDLHRD-QWHCGFSZSA-N 2 3 280.416 -0.357 20 0 CBADHP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220043234 824941733 /nfs/dbraw/zinc/94/17/33/824941733.db2.gz KGBVBHPOACMPNN-JTQLQIEISA-N 2 3 266.349 -0.774 20 0 CBADHP C[C@@H]1CCN[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101235 824954582 /nfs/dbraw/zinc/95/45/82/824954582.db2.gz FBMYNGXWIOTNTP-NXEZZACHSA-N 2 3 255.366 -0.165 20 0 CBADHP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220150351 824969486 /nfs/dbraw/zinc/96/94/86/824969486.db2.gz ZYEGXZKKGSYYJC-TUAOUCFPSA-N 2 3 266.389 -0.286 20 0 CBADHP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220150351 824969489 /nfs/dbraw/zinc/96/94/89/824969489.db2.gz ZYEGXZKKGSYYJC-TUAOUCFPSA-N 2 3 266.389 -0.286 20 0 CBADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220221221 824989709 /nfs/dbraw/zinc/98/97/09/824989709.db2.gz VNPHBQGYWHIXCE-AVGNSLFASA-N 2 3 280.416 -0.216 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263398 824999518 /nfs/dbraw/zinc/99/95/18/824999518.db2.gz ITTUZCBORZLPDO-LBPRGKRZSA-N 2 3 265.361 -0.170 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315453 825014084 /nfs/dbraw/zinc/01/40/84/825014084.db2.gz CQLIGLYQUYVUMC-OBJOEFQTSA-N 2 3 284.404 -0.530 20 0 CBADHP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1C[NH2+]CC12CNC2 ZINC001220394643 825028027 /nfs/dbraw/zinc/02/80/27/825028027.db2.gz KPXRQJSABLCQRG-GFCCVEGCSA-N 2 3 278.400 -0.603 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN(C)CC[NH3+] ZINC001220517398 825054921 /nfs/dbraw/zinc/05/49/21/825054921.db2.gz KADBCJVGYFBIBU-ZDUSSCGKSA-N 2 3 287.452 -0.511 20 0 CBADHP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220678705 825085384 /nfs/dbraw/zinc/08/53/84/825085384.db2.gz JDNKUXKPMSLCFA-USRAEIGSSA-N 2 3 292.427 -0.025 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930025 825124440 /nfs/dbraw/zinc/12/44/40/825124440.db2.gz KLAOXBZDAHTTIK-GVXVVHGQSA-N 2 3 284.404 -0.450 20 0 CBADHP CC(C)(C)N1CC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221195745 825155058 /nfs/dbraw/zinc/15/50/58/825155058.db2.gz FUQQZYPPMHKEIN-ZDUSSCGKSA-N 2 3 297.447 -0.664 20 0 CBADHP [NH3+]CCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221345082 825175088 /nfs/dbraw/zinc/17/50/88/825175088.db2.gz NTCIMXNQLAFYRY-LLVKDONJSA-N 2 3 254.378 -0.284 20 0 CBADHP [NH3+]CCCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221345082 825175092 /nfs/dbraw/zinc/17/50/92/825175092.db2.gz NTCIMXNQLAFYRY-LLVKDONJSA-N 2 3 254.378 -0.284 20 0 CBADHP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221396809 825180996 /nfs/dbraw/zinc/18/09/96/825180996.db2.gz BMQLXIDYQPCCSO-KBPBESRZSA-N 2 3 276.384 -0.117 20 0 CBADHP N[C@H](C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408046 825185816 /nfs/dbraw/zinc/18/58/16/825185816.db2.gz GGUISMSEAYAHAC-KBPBESRZSA-N 2 3 280.416 -0.182 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411931 825187089 /nfs/dbraw/zinc/18/70/89/825187089.db2.gz ZOJVMXCDFYUGPG-RYUDHWBXSA-N 2 3 286.445 -0.490 20 0 CBADHP C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982139 825616927 /nfs/dbraw/zinc/61/69/27/825616927.db2.gz KFLQAFJUIUUZRL-MCIONIFRSA-N 2 3 285.432 -0.313 20 0 CBADHP O[C@@]1(CNC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]C1 ZINC001245983409 825618336 /nfs/dbraw/zinc/61/83/36/825618336.db2.gz GGYQZAGRYXJEBQ-JSGCOSHPSA-N 2 3 268.405 -0.825 20 0 CBADHP C[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001246015933 825620948 /nfs/dbraw/zinc/62/09/48/825620948.db2.gz JPMYLTNYGPMRGK-XQQFMLRXSA-N 2 3 271.405 -0.622 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@H+](C[C@@]2(O)CCCNC2)CC1 ZINC001246020934 825622943 /nfs/dbraw/zinc/62/29/43/825622943.db2.gz MRXMFBQDJJETKC-QWHCGFSZSA-N 2 3 257.378 -0.723 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@@H+](C[C@@]2(O)CCCNC2)CC1 ZINC001246020934 825622946 /nfs/dbraw/zinc/62/29/46/825622946.db2.gz MRXMFBQDJJETKC-QWHCGFSZSA-N 2 3 257.378 -0.723 20 0 CBADHP c1nc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)c2n1CCC[NH2+]C2 ZINC001246245836 825655327 /nfs/dbraw/zinc/65/53/27/825655327.db2.gz AZLIPLJJSCECSX-GFCCVEGCSA-N 2 3 290.415 -0.440 20 0 CBADHP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1CN ZINC001246551961 825684346 /nfs/dbraw/zinc/68/43/46/825684346.db2.gz MVBAHGDNOZVYEP-UPJWGTAASA-N 2 3 252.406 -0.003 20 0 CBADHP C[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1CN ZINC001246551961 825684351 /nfs/dbraw/zinc/68/43/51/825684351.db2.gz MVBAHGDNOZVYEP-UPJWGTAASA-N 2 3 252.406 -0.003 20 0 CBADHP C1C[C@@]2(C[NH2+]1)CN([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641206 825700350 /nfs/dbraw/zinc/70/03/50/825700350.db2.gz HWQCZUWBNUXQAC-ZOBORPQBSA-N 2 3 250.390 -0.378 20 0 CBADHP COCC[N@H+](C1CCNCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837131 825718930 /nfs/dbraw/zinc/71/89/30/825718930.db2.gz QOEWWONLRRQNCT-AWEZNQCLSA-N 2 3 282.432 -0.219 20 0 CBADHP COCC[N@@H+](C1CCNCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246837131 825718935 /nfs/dbraw/zinc/71/89/35/825718935.db2.gz QOEWWONLRRQNCT-AWEZNQCLSA-N 2 3 282.432 -0.219 20 0 CBADHP NCc1cn([C@@H]2CCC[N@H+](CCOCC[NH3+])C2)nn1 ZINC001346028308 890197534 /nfs/dbraw/zinc/19/75/34/890197534.db2.gz LGNCYSJZOIVBSG-GFCCVEGCSA-N 2 3 268.365 -0.651 20 0 CBADHP NCc1cn([C@@H]2CCC[N@@H+](CCOCC[NH3+])C2)nn1 ZINC001346028308 890197542 /nfs/dbraw/zinc/19/75/42/890197542.db2.gz LGNCYSJZOIVBSG-GFCCVEGCSA-N 2 3 268.365 -0.651 20 0 CBADHP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001326236277 884954264 /nfs/dbraw/zinc/95/42/64/884954264.db2.gz GJGBGRCBUVFDQW-SDDRHHMPSA-N 2 3 256.394 -0.101 20 0 CBADHP C[NH2+]CCOCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001351678552 891170196 /nfs/dbraw/zinc/17/01/96/891170196.db2.gz CUMKSAIALZHUGG-MELADBBJSA-N 2 3 271.405 -0.031 20 0 CBADHP C[NH2+]CCOCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001351678551 891171021 /nfs/dbraw/zinc/17/10/21/891171021.db2.gz CUMKSAIALZHUGG-HZSPNIEDSA-N 2 3 271.405 -0.031 20 0 CBADHP [NH3+][C@H]1C[C@@H](N2CCC(CO[C@H]3CC[NH2+]C3)CC2)[C@@H](O)C1 ZINC001550437630 923728920 /nfs/dbraw/zinc/72/89/20/923728920.db2.gz WFZAEEXYABXRJC-XQLPTFJDSA-N 2 3 283.416 -0.073 20 0 CBADHP [NH3+][C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)[C@@H](O)C1 ZINC001550934962 923756313 /nfs/dbraw/zinc/75/63/13/923756313.db2.gz OMUOJYJMVWTUSQ-GZFHQYITSA-N 2 3 294.443 -0.262 20 0 CBADHP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570943066 354874229 /nfs/dbraw/zinc/87/42/29/354874229.db2.gz PMUXSSOPJIEQPG-NEPJUHHUSA-N 2 3 273.425 -0.143 20 0 CBADHP [NH3+]CCOCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580715031 354996928 /nfs/dbraw/zinc/99/69/28/354996928.db2.gz WODQBTVBCGGTHF-GFCCVEGCSA-N 2 3 257.378 -0.351 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000596106136 355344215 /nfs/dbraw/zinc/34/42/15/355344215.db2.gz PQPNPZLXTRWLCL-FVCCEPFGSA-N 2 3 266.389 -0.524 20 0 CBADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000596106136 355344218 /nfs/dbraw/zinc/34/42/18/355344218.db2.gz PQPNPZLXTRWLCL-FVCCEPFGSA-N 2 3 266.389 -0.524 20 0 CBADHP CC(CN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575565 355735847 /nfs/dbraw/zinc/73/58/47/355735847.db2.gz HNROONTYVKQOMT-GEEKYZPCSA-N 2 3 278.444 -0.075 20 0 CBADHP C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000605575569 355735887 /nfs/dbraw/zinc/73/58/87/355735887.db2.gz HNROONTYVKQOMT-QMHWVQJVSA-N 2 3 278.444 -0.075 20 0 CBADHP C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607151005 355745920 /nfs/dbraw/zinc/74/59/20/355745920.db2.gz ZSTUQNQBBGCBPG-AJNGGQMLSA-N 2 3 264.417 -0.321 20 0 CBADHP C[NH2+]CCOCCN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629570889 356780745 /nfs/dbraw/zinc/78/07/45/356780745.db2.gz DJCSUWOTYOUDHZ-LBPRGKRZSA-N 2 3 257.378 -0.325 20 0 CBADHP C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)[NH3+] ZINC000570943070 327682505 /nfs/dbraw/zinc/68/25/05/327682505.db2.gz PMUXSSOPJIEQPG-NWDGAFQWSA-N 2 3 273.425 -0.143 20 0 CBADHP [NH3+]CCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584113635 327040792 /nfs/dbraw/zinc/04/07/92/327040792.db2.gz ZUWNTYOBFFXOQO-CHWSQXEVSA-N 2 3 268.405 -0.085 20 0 CBADHP [NH3+]CCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584113636 327040800 /nfs/dbraw/zinc/04/08/00/327040800.db2.gz ZUWNTYOBFFXOQO-OLZOCXBDSA-N 2 3 268.405 -0.085 20 0 CBADHP [NH3+][C@@H]1CCC[C@H]2CN(CCN3CC[NH2+]CC3)C[C@H]21 ZINC000583084308 329311990 /nfs/dbraw/zinc/31/19/90/329311990.db2.gz LXOPWGPBSRQXJH-BFHYXJOUSA-N 2 3 252.406 -0.049 20 0 CBADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000923412056 658265312 /nfs/dbraw/zinc/26/53/12/658265312.db2.gz WFZAEEXYABXRJC-XGUBFFRZSA-N 2 3 283.416 -0.073 20 0 CBADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157844641 815470731 /nfs/dbraw/zinc/47/07/31/815470731.db2.gz WQGIWQXDKOCOKL-VWYCJHECSA-N 2 3 274.434 -0.409 20 0 CBADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157844640 815470886 /nfs/dbraw/zinc/47/08/86/815470886.db2.gz WQGIWQXDKOCOKL-MXWKQRLJSA-N 2 3 274.434 -0.409 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161843 815507345 /nfs/dbraw/zinc/50/73/45/815507345.db2.gz RGMWIUVSOMKIQT-AAEUAGOBSA-N 2 3 286.445 -0.250 20 0 CBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199225 815512420 /nfs/dbraw/zinc/51/24/20/815512420.db2.gz QGNLKEHMDQIFBY-RWMBFGLXSA-N 2 3 278.400 -0.177 20 0 CBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199225 815512424 /nfs/dbraw/zinc/51/24/24/815512424.db2.gz QGNLKEHMDQIFBY-RWMBFGLXSA-N 2 3 278.400 -0.177 20 0 CBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158426367 815528774 /nfs/dbraw/zinc/52/87/74/815528774.db2.gz ZCBWKYBZLXIGLN-AGIUHOORSA-N 2 3 278.400 -0.177 20 0 CBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158426367 815528779 /nfs/dbraw/zinc/52/87/79/815528779.db2.gz ZCBWKYBZLXIGLN-AGIUHOORSA-N 2 3 278.400 -0.177 20 0 CBADHP C[NH2+]CC1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160459671 815624783 /nfs/dbraw/zinc/62/47/83/815624783.db2.gz PMJBADWMLVKYQF-ZDUSSCGKSA-N 2 3 268.405 -0.229 20 0 CBADHP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160456737 815624805 /nfs/dbraw/zinc/62/48/05/815624805.db2.gz PYSPXIKFVMQPNS-UKRRQHHQSA-N 2 3 280.416 -0.357 20 0 CBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CN ZINC001160629256 815644736 /nfs/dbraw/zinc/64/47/36/815644736.db2.gz LNSXUQZOTSVFEY-LBPRGKRZSA-N 2 3 273.425 -0.996 20 0 CBADHP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160688982 815656774 /nfs/dbraw/zinc/65/67/74/815656774.db2.gz RYHVKPPVQFXFPI-LBPRGKRZSA-N 2 3 266.389 -0.650 20 0 CBADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160695409 815658976 /nfs/dbraw/zinc/65/89/76/815658976.db2.gz LBPPKZKTLNBGFQ-GZBFAFLISA-N 2 3 280.416 -0.357 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160970714 815693582 /nfs/dbraw/zinc/69/35/82/815693582.db2.gz ATJDISQMOGVTIN-BDAKNGLRSA-N 2 3 264.320 -0.362 20 0 CBADHP N[C@@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009744 815694892 /nfs/dbraw/zinc/69/48/92/815694892.db2.gz XSJNWTYXWFPHOQ-QWHCGFSZSA-N 2 3 296.415 -0.971 20 0 CBADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161050478 815706233 /nfs/dbraw/zinc/70/62/33/815706233.db2.gz NPCNJUKMMVWFNY-QWHCGFSZSA-N 2 3 280.416 -0.264 20 0 CBADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161050478 815706235 /nfs/dbraw/zinc/70/62/35/815706235.db2.gz NPCNJUKMMVWFNY-QWHCGFSZSA-N 2 3 280.416 -0.264 20 0 CBADHP CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218374 815728605 /nfs/dbraw/zinc/72/86/05/815728605.db2.gz HSBAGOFEBDXPBE-QNWHQSFQSA-N 2 3 268.405 -0.278 20 0 CBADHP CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161340140 815745419 /nfs/dbraw/zinc/74/54/19/815745419.db2.gz PECYIOIMCFFAAH-QWHCGFSZSA-N 2 3 268.405 -0.086 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376795 815749061 /nfs/dbraw/zinc/74/90/61/815749061.db2.gz DJFTVRGQKFUCTF-KBPBESRZSA-N 2 3 297.447 -0.533 20 0 CBADHP N[C@@H](C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411859 815751698 /nfs/dbraw/zinc/75/16/98/815751698.db2.gz BPIIGZQDTZEXJL-YVECIDJPSA-N 2 3 266.389 -0.491 20 0 CBADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161488298 815760604 /nfs/dbraw/zinc/76/06/04/815760604.db2.gz CJLCFQODKUMKRO-AAEUAGOBSA-N 2 3 266.389 -0.617 20 0 CBADHP [NH3+]C[C@]1(O)CCCN(Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205220545 824376220 /nfs/dbraw/zinc/37/62/20/824376220.db2.gz LNKWBIRQEHQCDO-HNNXBMFYSA-N 2 3 293.415 -0.296 20 0 CBADHP [NH3+]Cc1cncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218704040 824625847 /nfs/dbraw/zinc/62/58/47/824625847.db2.gz KJSIFHDZFAKRFS-LLVKDONJSA-N 2 3 261.329 -0.712 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705207 824626762 /nfs/dbraw/zinc/62/67/62/824626762.db2.gz MDVWGVLHBJFXJZ-NSHDSACASA-N 2 3 251.334 -0.065 20 0 CBADHP [NH3+]Cc1cncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218704509 824626824 /nfs/dbraw/zinc/62/68/24/824626824.db2.gz VOROCMFGIHEZLH-BXUZGUMPSA-N 2 3 275.356 -0.322 20 0 CBADHP [NH3+]Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001219345234 824694437 /nfs/dbraw/zinc/69/44/37/824694437.db2.gz DOWQVCJHWBFSLJ-GFCCVEGCSA-N 2 3 260.341 -0.107 20 0 CBADHP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219555798 824728680 /nfs/dbraw/zinc/72/86/80/824728680.db2.gz SGINMBWOVKOFCP-TZMCWYRMSA-N 2 3 268.405 -0.357 20 0 CBADHP CC[NH+](CC)CCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219555700 824729197 /nfs/dbraw/zinc/72/91/97/824729197.db2.gz NUTDWMZMISCMDJ-JTQLQIEISA-N 2 3 262.423 -0.536 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611443 824853940 /nfs/dbraw/zinc/85/39/40/824853940.db2.gz ZAZXRYFAFCKKAC-CBAPKCEASA-N 2 3 268.283 -0.537 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611441 824854162 /nfs/dbraw/zinc/85/41/62/824854162.db2.gz ZAZXRYFAFCKKAC-APPZFPTMSA-N 2 3 268.283 -0.537 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001219641949 824869333 /nfs/dbraw/zinc/86/93/33/824869333.db2.gz NDJBCTDFIPQHET-TUAOUCFPSA-N 2 3 266.389 -0.843 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219641947 824869294 /nfs/dbraw/zinc/86/92/94/824869294.db2.gz NDJBCTDFIPQHET-SDDRHHMPSA-N 2 3 266.389 -0.843 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001219649948 824873547 /nfs/dbraw/zinc/87/35/47/824873547.db2.gz LWPDONXXUVNWHO-DMDPSCGWSA-N 2 3 268.405 -0.325 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741497 824888135 /nfs/dbraw/zinc/88/81/35/824888135.db2.gz MBBJOENPRBWKPQ-VXGBXAGGSA-N 2 3 284.404 -0.530 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736982 824888787 /nfs/dbraw/zinc/88/87/87/824888787.db2.gz LVRJJQQRYZFLEP-STQMWFEESA-N 2 3 298.431 -0.460 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813460 824896969 /nfs/dbraw/zinc/89/69/69/824896969.db2.gz VBTIYONFUGMJAS-YDHLFZDLSA-N 2 3 298.431 -0.602 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856716 824903446 /nfs/dbraw/zinc/90/34/46/824903446.db2.gz YGSMADGYQJQKFB-ZOBORPQBSA-N 2 3 298.431 -0.415 20 0 CBADHP N[C@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001219851739 824903482 /nfs/dbraw/zinc/90/34/82/824903482.db2.gz COOMWRAMQZTGDV-FQUUOJAGSA-N 2 3 296.415 -0.946 20 0 CBADHP N[C@@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001219851740 824903490 /nfs/dbraw/zinc/90/34/90/824903490.db2.gz COOMWRAMQZTGDV-IGQOVBAYSA-N 2 3 296.415 -0.946 20 0 CBADHP C[NH2+]CCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220077497 824951965 /nfs/dbraw/zinc/95/19/65/824951965.db2.gz MHCKRVNUAWAWMZ-LBPRGKRZSA-N 2 3 268.405 -0.024 20 0 CBADHP C[NH2+]CCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220077497 824951979 /nfs/dbraw/zinc/95/19/79/824951979.db2.gz MHCKRVNUAWAWMZ-LBPRGKRZSA-N 2 3 268.405 -0.024 20 0 CBADHP C[C@H]1CCN[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001220101237 824954241 /nfs/dbraw/zinc/95/42/41/824954241.db2.gz FBMYNGXWIOTNTP-VHSXEESVSA-N 2 3 255.366 -0.165 20 0 CBADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220252265 824996738 /nfs/dbraw/zinc/99/67/38/824996738.db2.gz UDIBIIWVQKRIQO-VNHYZAJKSA-N 2 3 280.416 -0.214 20 0 CBADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220252265 824996745 /nfs/dbraw/zinc/99/67/45/824996745.db2.gz UDIBIIWVQKRIQO-VNHYZAJKSA-N 2 3 280.416 -0.214 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316172 825013594 /nfs/dbraw/zinc/01/35/94/825013594.db2.gz MWERMXUBNRJTQK-GVXVVHGQSA-N 2 3 270.377 -0.920 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315454 825013851 /nfs/dbraw/zinc/01/38/51/825013851.db2.gz CQLIGLYQUYVUMC-SGMGOOAPSA-N 2 3 284.404 -0.530 20 0 CBADHP C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220385938 825027468 /nfs/dbraw/zinc/02/74/68/825027468.db2.gz DRUHTXGLDPDAAW-JTQLQIEISA-N 2 3 276.450 -0.148 20 0 CBADHP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220394644 825028484 /nfs/dbraw/zinc/02/84/84/825028484.db2.gz KPXRQJSABLCQRG-LBPRGKRZSA-N 2 3 278.400 -0.603 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800641 825104137 /nfs/dbraw/zinc/10/41/37/825104137.db2.gz SLRXOEPTPGJRMR-VGMNWLOBSA-N 2 3 282.310 -0.291 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121896 825145224 /nfs/dbraw/zinc/14/52/24/825145224.db2.gz XCZXUOADUSSTPR-ZDUSSCGKSA-N 2 3 291.399 -0.157 20 0 CBADHP CN1CCC[C@](C)(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001221244016 825160110 /nfs/dbraw/zinc/16/01/10/825160110.db2.gz OTYICEIHWCEICA-JSGCOSHPSA-N 2 3 268.405 -0.086 20 0 CBADHP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001221254088 825162634 /nfs/dbraw/zinc/16/26/34/825162634.db2.gz FJKWDLSATJNZLH-UWVGGRQHSA-N 2 3 260.407 -0.927 20 0 CBADHP C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001221254088 825162637 /nfs/dbraw/zinc/16/26/37/825162637.db2.gz FJKWDLSATJNZLH-UWVGGRQHSA-N 2 3 260.407 -0.927 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333877 825172602 /nfs/dbraw/zinc/17/26/02/825172602.db2.gz UXEITJZSEGNONT-KBPBESRZSA-N 2 3 276.384 -0.035 20 0 CBADHP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221365693 825176458 /nfs/dbraw/zinc/17/64/58/825176458.db2.gz HICQEOGHIKGYLW-PRULPYPASA-N 2 3 270.352 -0.998 20 0 CBADHP CN1CCC(CO)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001221407529 825184034 /nfs/dbraw/zinc/18/40/34/825184034.db2.gz ZVUVUGQKLCVBBY-LBPRGKRZSA-N 2 3 286.420 -0.594 20 0 CBADHP [NH3+]CCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520313 825213828 /nfs/dbraw/zinc/21/38/28/825213828.db2.gz FLIMARVGQQXHOI-CYBMUJFWSA-N 2 3 252.362 -0.863 20 0 CBADHP [NH3+]CCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520313 825213834 /nfs/dbraw/zinc/21/38/34/825213834.db2.gz FLIMARVGQQXHOI-CYBMUJFWSA-N 2 3 252.362 -0.863 20 0 CBADHP C[C@@H]1CC[NH2+]C[C@H]1CNC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982131 825616308 /nfs/dbraw/zinc/61/63/08/825616308.db2.gz KFLQAFJUIUUZRL-HZSPNIEDSA-N 2 3 285.432 -0.313 20 0 CBADHP O[C@H](CNC[C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979443 825616863 /nfs/dbraw/zinc/61/68/63/825616863.db2.gz AENFCALYSAHVFQ-STQMWFEESA-N 2 3 271.405 -0.559 20 0 CBADHP O[C@]1(CNC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]C1 ZINC001245983411 825618103 /nfs/dbraw/zinc/61/81/03/825618103.db2.gz GGYQZAGRYXJEBQ-TZMCWYRMSA-N 2 3 268.405 -0.825 20 0 CBADHP C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016507 825620998 /nfs/dbraw/zinc/62/09/98/825620998.db2.gz LUGOZKAFUXIKSN-AVGNSLFASA-N 2 3 271.405 -0.337 20 0 CBADHP C[C@H]1CC[C@@H](CN)[N@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016507 825621002 /nfs/dbraw/zinc/62/10/02/825621002.db2.gz LUGOZKAFUXIKSN-AVGNSLFASA-N 2 3 271.405 -0.337 20 0 CBADHP [NH3+][C@@H]1CCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016716 825621399 /nfs/dbraw/zinc/62/13/99/825621399.db2.gz NGLNTHGHBTXFSP-CHWSQXEVSA-N 2 3 271.405 -0.335 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@@H+](C[C@]2(O)CCCNC2)CC1 ZINC001246020892 825622997 /nfs/dbraw/zinc/62/29/97/825622997.db2.gz MRXMFBQDJJETKC-OLZOCXBDSA-N 2 3 257.378 -0.723 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@H+](C[C@]2(O)CCCNC2)CC1 ZINC001246020892 825622991 /nfs/dbraw/zinc/62/29/91/825622991.db2.gz MRXMFBQDJJETKC-OLZOCXBDSA-N 2 3 257.378 -0.723 20 0 CBADHP OC1(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)CC[NH2+]CC1 ZINC001246023427 825623816 /nfs/dbraw/zinc/62/38/16/825623816.db2.gz BXYHXGCNBDNOOJ-AWEZNQCLSA-N 2 3 282.432 -0.482 20 0 CBADHP OC1(CN2CC[NH2+]C[C@]3(CCCCN3)C2)CC[NH2+]CC1 ZINC001246023431 825624646 /nfs/dbraw/zinc/62/46/46/825624646.db2.gz BXYHXGCNBDNOOJ-CQSZACIVSA-N 2 3 282.432 -0.482 20 0 CBADHP O[C@@]1(C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246079413 825633641 /nfs/dbraw/zinc/63/36/41/825633641.db2.gz DXNHRWCLRYBHLM-NTZNESFSSA-N 2 3 257.353 -0.219 20 0 CBADHP [NH3+]CCCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246264645 825658386 /nfs/dbraw/zinc/65/83/86/825658386.db2.gz NUQITBABPFMRPA-ZDUSSCGKSA-N 2 3 267.421 -0.953 20 0 CBADHP [NH3+]CCCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246264643 825658460 /nfs/dbraw/zinc/65/84/60/825658460.db2.gz NUQITBABPFMRPA-CYBMUJFWSA-N 2 3 267.421 -0.953 20 0 CBADHP [NH3+]CC[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528592 825681447 /nfs/dbraw/zinc/68/14/47/825681447.db2.gz AJNOMPVVCHAYPY-VXGBXAGGSA-N 2 3 254.378 -0.870 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429066 886062142 /nfs/dbraw/zinc/06/21/42/886062142.db2.gz YOFFLTMRUBWRMM-NWDGAFQWSA-N 2 3 254.378 -0.536 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429066 886062147 /nfs/dbraw/zinc/06/21/47/886062147.db2.gz YOFFLTMRUBWRMM-NWDGAFQWSA-N 2 3 254.378 -0.536 20 0 CBADHP CC(C)([NH3+])CC[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001353944370 891491558 /nfs/dbraw/zinc/49/15/58/891491558.db2.gz UIMBTQIMNIEJPC-LLVKDONJSA-N 2 3 256.394 -0.099 20 0 CBADHP [NH3+]C[C@]12CCC[C@@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC001549117089 923558335 /nfs/dbraw/zinc/55/83/35/923558335.db2.gz PZQILGWXMNKDEG-KGLIPLIRSA-N 2 3 252.406 -0.048 20 0 CBADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550935059 923755676 /nfs/dbraw/zinc/75/56/76/923755676.db2.gz PBVJGFGIIXVVGZ-FRRDWIJNSA-N 2 3 251.374 -0.094 20 0 CBADHP [NH3+][C@@H]1C[C@@H](O)[C@@H](N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001550934963 923755830 /nfs/dbraw/zinc/75/58/30/923755830.db2.gz OMUOJYJMVWTUSQ-HVQZGBDUSA-N 2 3 294.443 -0.262 20 0 CBADHP CNCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000036457546 351391233 /nfs/dbraw/zinc/39/12/33/351391233.db2.gz UWIXJOMNLBAZGD-UHFFFAOYSA-N 2 3 258.410 -0.062 20 0 CBADHP C(CN1CCC2(CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000567899729 354804582 /nfs/dbraw/zinc/80/45/82/354804582.db2.gz RMIRNCCDOHVTLY-UHFFFAOYSA-N 2 3 252.406 -0.033 20 0 CBADHP C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570943073 354874197 /nfs/dbraw/zinc/87/41/97/354874197.db2.gz PMUXSSOPJIEQPG-RYUDHWBXSA-N 2 3 273.425 -0.143 20 0 CBADHP C[NH2+]C[C@@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574142148 354929217 /nfs/dbraw/zinc/92/92/17/354929217.db2.gz IIFFHXMXMFGFPC-CYBMUJFWSA-N 2 3 287.452 -0.023 20 0 CBADHP [NH3+]CCOCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000578533309 354948749 /nfs/dbraw/zinc/94/87/49/354948749.db2.gz BQXWNXJQESSDAC-GFCCVEGCSA-N 2 3 272.393 -0.719 20 0 CBADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151006 355746527 /nfs/dbraw/zinc/74/65/27/355746527.db2.gz ZSTUQNQBBGCBPG-NMWPEEMBSA-N 2 3 264.417 -0.321 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248774 356612354 /nfs/dbraw/zinc/61/23/54/356612354.db2.gz AYOJJKZIKSGDIJ-GFCCVEGCSA-N 2 3 271.409 -0.517 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662242027 419559781 /nfs/dbraw/zinc/55/97/81/419559781.db2.gz AQRATRKZHQWSBT-STQMWFEESA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662242027 419559788 /nfs/dbraw/zinc/55/97/88/419559788.db2.gz AQRATRKZHQWSBT-STQMWFEESA-N 2 3 296.415 -0.706 20 0 CBADHP NCC1(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000647489189 419594867 /nfs/dbraw/zinc/59/48/67/419594867.db2.gz VZGRHFVUDKVEMP-LLVKDONJSA-N 2 3 254.378 -0.488 20 0 CBADHP NCC1(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000647489189 419594872 /nfs/dbraw/zinc/59/48/72/419594872.db2.gz VZGRHFVUDKVEMP-LLVKDONJSA-N 2 3 254.378 -0.488 20 0 CBADHP [NH3+]CCOCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577515061 335363564 /nfs/dbraw/zinc/36/35/64/335363564.db2.gz SKCAFMOYWHOEKL-OLZOCXBDSA-N 2 3 257.378 -0.210 20 0 CBADHP CN(C)C[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144730 584168090 /nfs/dbraw/zinc/16/80/90/584168090.db2.gz UEQBWIOADPHHCU-MCIONIFRSA-N 2 3 299.463 -0.927 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892559552 584618742 /nfs/dbraw/zinc/61/87/42/584618742.db2.gz LJOPPSQMUJSBBV-BETUJISGSA-N 2 3 285.436 -0.142 20 0 CBADHP CNC[C@](C)(O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495289 584891828 /nfs/dbraw/zinc/89/18/28/584891828.db2.gz YXARYJLPRDAUTA-XCCSTKFXSA-N 2 3 285.388 -0.831 20 0 CBADHP CNC[C@](C)(O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495289 584891829 /nfs/dbraw/zinc/89/18/29/584891829.db2.gz YXARYJLPRDAUTA-XCCSTKFXSA-N 2 3 285.388 -0.831 20 0 CBADHP C[NH2+]C[C@](C)(O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495289 584891831 /nfs/dbraw/zinc/89/18/31/584891831.db2.gz YXARYJLPRDAUTA-XCCSTKFXSA-N 2 3 285.388 -0.831 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716600 584895568 /nfs/dbraw/zinc/89/55/68/584895568.db2.gz QAVDNCIBROUWMT-CABCVRRESA-N 2 3 282.432 -0.408 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157715214 815455602 /nfs/dbraw/zinc/45/56/02/815455602.db2.gz CKOKKJCPYZUIKB-RYUDHWBXSA-N 2 3 272.393 -0.850 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157756310 815463024 /nfs/dbraw/zinc/46/30/24/815463024.db2.gz WWPRYQBWOJRVQK-CMPLNLGQSA-N 2 3 292.424 -0.315 20 0 CBADHP C[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]1[NH3+] ZINC001157804841 815468516 /nfs/dbraw/zinc/46/85/16/815468516.db2.gz XWLLHVCLKBWMOP-UTLUCORTSA-N 2 3 260.407 -0.799 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158083209 815502723 /nfs/dbraw/zinc/50/27/23/815502723.db2.gz YTGUIDRKFSCLHQ-LLVKDONJSA-N 2 3 254.378 -0.218 20 0 CBADHP N[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)C1CC[NH2+]CC1 ZINC001158187489 815510354 /nfs/dbraw/zinc/51/03/54/815510354.db2.gz SBOSKLFHBTYJKZ-DMLGSKKGSA-N 2 3 252.362 -0.737 20 0 CBADHP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179334 812486218 /nfs/dbraw/zinc/48/62/18/812486218.db2.gz QYUBXKWCBQFANW-RWMBFGLXSA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179334 812486222 /nfs/dbraw/zinc/48/62/22/812486222.db2.gz QYUBXKWCBQFANW-RWMBFGLXSA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC001118276667 812516458 /nfs/dbraw/zinc/51/64/58/812516458.db2.gz AVQATIXTIIQYGD-UPJWGTAASA-N 2 3 268.405 -0.005 20 0 CBADHP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC001118276667 812516462 /nfs/dbraw/zinc/51/64/62/812516462.db2.gz AVQATIXTIIQYGD-UPJWGTAASA-N 2 3 268.405 -0.005 20 0 CBADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160453883 815624031 /nfs/dbraw/zinc/62/40/31/815624031.db2.gz DVSKULVLPGSPGA-CYBMUJFWSA-N 2 3 280.416 -0.404 20 0 CBADHP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160536843 815634071 /nfs/dbraw/zinc/63/40/71/815634071.db2.gz AYRUKFAORLRPFV-ZDUSSCGKSA-N 2 3 280.416 -0.262 20 0 CBADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160965169 815691583 /nfs/dbraw/zinc/69/15/83/815691583.db2.gz UFBFMSHDOIFXAG-NQBHXWOUSA-N 2 3 254.378 -0.537 20 0 CBADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]2C1 ZINC001161175280 815724690 /nfs/dbraw/zinc/72/46/90/815724690.db2.gz KEWCUYOHSACMRZ-JHJVBQTASA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@H](C)N1 ZINC001161229775 815729900 /nfs/dbraw/zinc/72/99/00/815729900.db2.gz VELPTVBRCIPTRL-NHCYSSNCSA-N 2 3 254.378 -0.478 20 0 CBADHP CC(C)N(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353591 815747553 /nfs/dbraw/zinc/74/75/53/815747553.db2.gz UHJPWDYPESJTFG-QWRGUYRKSA-N 2 3 274.434 -0.396 20 0 CBADHP N[C@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC[NH2+]CC1 ZINC001161411857 815752158 /nfs/dbraw/zinc/75/21/58/815752158.db2.gz BPIIGZQDTZEXJL-LPWJVIDDSA-N 2 3 266.389 -0.491 20 0 CBADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161488302 815760179 /nfs/dbraw/zinc/76/01/79/815760179.db2.gz CJLCFQODKUMKRO-WCQYABFASA-N 2 3 266.389 -0.617 20 0 CBADHP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC12COC2 ZINC001161511116 815766286 /nfs/dbraw/zinc/76/62/86/815766286.db2.gz WQLMZZCSZAFQRC-VXGBXAGGSA-N 2 3 294.399 -0.953 20 0 CBADHP N[C@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170898021 820333322 /nfs/dbraw/zinc/33/33/22/820333322.db2.gz BABCZYUUXIMWEF-LBPRGKRZSA-N 2 3 264.377 -0.073 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001219641946 824870312 /nfs/dbraw/zinc/87/03/12/824870312.db2.gz NDJBCTDFIPQHET-QJPTWQEYSA-N 2 3 266.389 -0.843 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744635 824889554 /nfs/dbraw/zinc/88/95/54/824889554.db2.gz ZZYKJBCXSIWKKX-OLZOCXBDSA-N 2 3 298.431 -0.140 20 0 CBADHP C[NH+](C)CCCC[C@H]([NH3+])C(=O)[N-]C(=N)SCC[NH3+] ZINC001220106734 824957515 /nfs/dbraw/zinc/95/75/15/824957515.db2.gz ZUUKGYQXMACBQU-VIFPVBQESA-N 2 3 275.422 -0.212 20 0 CBADHP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220043187 824942375 /nfs/dbraw/zinc/94/23/75/824942375.db2.gz IMQSKAHBCCVAKE-LLVKDONJSA-N 2 3 278.360 -0.903 20 0 CBADHP C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220052869 824945436 /nfs/dbraw/zinc/94/54/36/824945436.db2.gz HMIWNKHUGKWEAB-GFCCVEGCSA-N 2 3 268.405 -0.214 20 0 CBADHP C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220052869 824945441 /nfs/dbraw/zinc/94/54/41/824945441.db2.gz HMIWNKHUGKWEAB-GFCCVEGCSA-N 2 3 268.405 -0.214 20 0 CBADHP C[NH2+]CCNC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220052869 824945446 /nfs/dbraw/zinc/94/54/46/824945446.db2.gz HMIWNKHUGKWEAB-GFCCVEGCSA-N 2 3 268.405 -0.214 20 0 CBADHP N[C@H](C(=O)N(CC[NH3+])c1cccnc1)C1CC[NH2+]CC1 ZINC001220263445 824999484 /nfs/dbraw/zinc/99/94/84/824999484.db2.gz KDQFFJKYJCWOAX-ZDUSSCGKSA-N 2 3 277.372 -0.300 20 0 CBADHP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220386231 825026401 /nfs/dbraw/zinc/02/64/01/825026401.db2.gz LHMWVSQNNSJGDR-NSHDSACASA-N 2 3 268.405 -0.358 20 0 CBADHP CN(CC[NH3+])CCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220517331 825053039 /nfs/dbraw/zinc/05/30/39/825053039.db2.gz HFLKKLBZBBNTBV-LBPRGKRZSA-N 2 3 273.425 -0.948 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800640 825104683 /nfs/dbraw/zinc/10/46/83/825104683.db2.gz SLRXOEPTPGJRMR-HRDYMLBCSA-N 2 3 282.310 -0.291 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937331 825127602 /nfs/dbraw/zinc/12/76/02/825127602.db2.gz PHNSQLIKKZJPSS-OLZOCXBDSA-N 2 3 286.420 -0.460 20 0 CBADHP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001221134173 825146342 /nfs/dbraw/zinc/14/63/42/825146342.db2.gz ODZKONSIYVERAG-LBPRGKRZSA-N 2 3 296.415 -0.848 20 0 CBADHP COCCC1([NH3+])CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001221136528 825146924 /nfs/dbraw/zinc/14/69/24/825146924.db2.gz PZOVSWRPWNVAQW-ZDUSSCGKSA-N 2 3 298.431 -0.330 20 0 CBADHP CC(C)(C)N1CC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221195744 825154700 /nfs/dbraw/zinc/15/47/00/825154700.db2.gz FUQQZYPPMHKEIN-CYBMUJFWSA-N 2 3 297.447 -0.664 20 0 CBADHP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001221239502 825159237 /nfs/dbraw/zinc/15/92/37/825159237.db2.gz PBBVTOSZBKHNBG-GMXVVIOVSA-N 2 3 266.389 -0.143 20 0 CBADHP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001221239502 825159236 /nfs/dbraw/zinc/15/92/36/825159236.db2.gz PBBVTOSZBKHNBG-GMXVVIOVSA-N 2 3 266.389 -0.143 20 0 CBADHP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001221253916 825161657 /nfs/dbraw/zinc/16/16/57/825161657.db2.gz BMKZXZMZTVACAL-QWHCGFSZSA-N 2 3 280.416 -0.072 20 0 CBADHP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001221253916 825161662 /nfs/dbraw/zinc/16/16/62/825161662.db2.gz BMKZXZMZTVACAL-QWHCGFSZSA-N 2 3 280.416 -0.072 20 0 CBADHP [NH3+]CCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221345083 825175233 /nfs/dbraw/zinc/17/52/33/825175233.db2.gz NTCIMXNQLAFYRY-NSHDSACASA-N 2 3 254.378 -0.284 20 0 CBADHP [NH3+]CCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221345083 825175234 /nfs/dbraw/zinc/17/52/34/825175234.db2.gz NTCIMXNQLAFYRY-NSHDSACASA-N 2 3 254.378 -0.284 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411930 825187065 /nfs/dbraw/zinc/18/70/65/825187065.db2.gz ZOJVMXCDFYUGPG-NWDGAFQWSA-N 2 3 286.445 -0.490 20 0 CBADHP C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245983190 825618503 /nfs/dbraw/zinc/61/85/03/825618503.db2.gz NKPNVTXAPACIDG-MJBXVCDLSA-N 2 3 285.432 -0.170 20 0 CBADHP C[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001246015934 825621297 /nfs/dbraw/zinc/62/12/97/825621297.db2.gz JPMYLTNYGPMRGK-YNEHKIRRSA-N 2 3 271.405 -0.622 20 0 CBADHP [NH3+]C[C@@H]1CCCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032095 825628211 /nfs/dbraw/zinc/62/82/11/825628211.db2.gz JAGXBSJJFLEVTD-UONOGXRCSA-N 2 3 285.432 -0.087 20 0 CBADHP C([NH2+]C1CCNCC1)[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141048 825640107 /nfs/dbraw/zinc/64/01/07/825640107.db2.gz CGMBBHJJVOLHQO-GXTWGEPZSA-N 2 3 269.389 -0.277 20 0 CBADHP C1[NH2+]CC12C[C@@H](N[C@@H]1CCO[C@]13CC[NH2+]C3)CCN2 ZINC001246335394 825665969 /nfs/dbraw/zinc/66/59/69/825665969.db2.gz WTYZQMHBOQWNSQ-SCRDCRAPSA-N 2 3 266.389 -0.809 20 0 CBADHP COCCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246395059 825670480 /nfs/dbraw/zinc/67/04/80/825670480.db2.gz VIUNCJLDSBDLEL-ZDUSSCGKSA-N 2 3 282.432 -0.171 20 0 CBADHP COCCC1([NH3+])CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246424704 825672892 /nfs/dbraw/zinc/67/28/92/825672892.db2.gz SEMBSYNLZXAIDH-ZDUSSCGKSA-N 2 3 282.432 -0.090 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246541313 825682539 /nfs/dbraw/zinc/68/25/39/825682539.db2.gz FTBUVZRAOZVZSQ-STQMWFEESA-N 2 3 269.389 -0.317 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246541313 825682545 /nfs/dbraw/zinc/68/25/45/825682545.db2.gz FTBUVZRAOZVZSQ-STQMWFEESA-N 2 3 269.389 -0.317 20 0 CBADHP C1C[C@]2(C[NH2+]1)CN([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641204 825700747 /nfs/dbraw/zinc/70/07/47/825700747.db2.gz HWQCZUWBNUXQAC-DGAVXFQQSA-N 2 3 250.390 -0.378 20 0 CBADHP C1C[C@]2(C[NH2+]1)CN([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641202 825700825 /nfs/dbraw/zinc/70/08/25/825700825.db2.gz HWQCZUWBNUXQAC-CRWXNKLISA-N 2 3 250.390 -0.378 20 0 CBADHP C1[NH2+]CC12CC[C@@H](N1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641470 825700907 /nfs/dbraw/zinc/70/09/07/825700907.db2.gz IIWRWDBWRBYZEY-TZMCWYRMSA-N 2 3 250.390 -0.234 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC001334774226 888320154 /nfs/dbraw/zinc/32/01/54/888320154.db2.gz GVFUYCXBVPMWDQ-OLZOCXBDSA-N 2 3 268.405 -0.146 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC001334774226 888320173 /nfs/dbraw/zinc/32/01/73/888320173.db2.gz GVFUYCXBVPMWDQ-OLZOCXBDSA-N 2 3 268.405 -0.146 20 0 CBADHP NCc1cn([C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399031 890805794 /nfs/dbraw/zinc/80/57/94/890805794.db2.gz VDXBCQGWBRCDJK-CQSZACIVSA-N 2 3 293.419 -0.721 20 0 CBADHP NCc1cn([C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399031 890805809 /nfs/dbraw/zinc/80/58/09/890805809.db2.gz VDXBCQGWBRCDJK-CQSZACIVSA-N 2 3 293.419 -0.721 20 0 CBADHP N[C@@H]1C[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973603 923929640 /nfs/dbraw/zinc/92/96/40/923929640.db2.gz RDKPTSIENXTOQC-ZLMOABSSSA-N 2 3 278.400 -0.239 20 0 CBADHP N[C@@H]1C[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973603 923929646 /nfs/dbraw/zinc/92/96/46/923929646.db2.gz RDKPTSIENXTOQC-ZLMOABSSSA-N 2 3 278.400 -0.239 20 0 CBADHP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000627239278 356609331 /nfs/dbraw/zinc/60/93/31/356609331.db2.gz FUKHYPHATQBAMR-QWHCGFSZSA-N 2 3 285.436 -0.128 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647828430 419664633 /nfs/dbraw/zinc/66/46/33/419664633.db2.gz CZDSGDZPPPCJTF-NWDGAFQWSA-N 2 3 254.378 -0.617 20 0 CBADHP [NH3+][C@@H]1CCC[C@H]2CN(CCN3CC[NH2+]CC3)C[C@@H]21 ZINC000583084310 329311956 /nfs/dbraw/zinc/31/19/56/329311956.db2.gz LXOPWGPBSRQXJH-MELADBBJSA-N 2 3 252.406 -0.049 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1(CN)CC1)C2 ZINC000903976788 584905562 /nfs/dbraw/zinc/90/55/62/584905562.db2.gz APKFSEFJQDAAOA-WDMOLILDSA-N 2 3 267.373 -0.062 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC1(CN)CC1)C2 ZINC000903976788 584905564 /nfs/dbraw/zinc/90/55/64/584905564.db2.gz APKFSEFJQDAAOA-WDMOLILDSA-N 2 3 267.373 -0.062 20 0 CBADHP C[C@@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705914288 656187582 /nfs/dbraw/zinc/18/75/82/656187582.db2.gz XOEGIBWVYUXTLP-IJLUTSLNSA-N 2 3 256.394 -0.469 20 0 CBADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160453562 815623431 /nfs/dbraw/zinc/62/34/31/815623431.db2.gz AWNLKFZZEYMJPR-LBPRGKRZSA-N 2 3 288.461 -0.194 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082785 815503455 /nfs/dbraw/zinc/50/34/55/815503455.db2.gz RHTJDEDYZNHVSJ-NSHDSACASA-N 2 3 286.445 -0.265 20 0 CBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161521 815507440 /nfs/dbraw/zinc/50/74/40/815507440.db2.gz PMHNSBGSJDCVEQ-WFASDCNBSA-N 2 3 278.400 -0.460 20 0 CBADHP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158424349 815527845 /nfs/dbraw/zinc/52/78/45/815527845.db2.gz RPHOUZFZTKXFEZ-OWTLIXCDSA-N 2 3 264.373 -0.852 20 0 CBADHP O=C(N1CCC[C@H]2[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158424346 815528351 /nfs/dbraw/zinc/52/83/51/815528351.db2.gz RPHOUZFZTKXFEZ-HKUMRIAESA-N 2 3 264.373 -0.852 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567835 815538024 /nfs/dbraw/zinc/53/80/24/815538024.db2.gz KQZXHINAOUBAHK-MXWKQRLJSA-N 2 3 272.368 -0.412 20 0 CBADHP N[C@H](C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C1CC[NH2+]CC1 ZINC001158579864 815539506 /nfs/dbraw/zinc/53/95/06/815539506.db2.gz YOXRFVYBMVMJSP-XQQFMLRXSA-N 2 3 298.406 -0.151 20 0 CBADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@H](N)CCC[NH3+] ZINC001160454476 815623672 /nfs/dbraw/zinc/62/36/72/815623672.db2.gz OBAYFYNMEAFDOU-GFCCVEGCSA-N 2 3 256.394 -0.147 20 0 CBADHP [NH3+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160511371 815631462 /nfs/dbraw/zinc/63/14/62/815631462.db2.gz NXSXLKAAXWKFEV-ZWNOBZJWSA-N 2 3 252.362 -0.865 20 0 CBADHP [NH3+]C1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160511891 815633058 /nfs/dbraw/zinc/63/30/58/815633058.db2.gz XPKZEXHKPNLLIJ-LBPRGKRZSA-N 2 3 266.389 -0.190 20 0 CBADHP [NH3+]C1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160511891 815633063 /nfs/dbraw/zinc/63/30/63/815633063.db2.gz XPKZEXHKPNLLIJ-LBPRGKRZSA-N 2 3 266.389 -0.190 20 0 CBADHP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160536842 815633982 /nfs/dbraw/zinc/63/39/82/815633982.db2.gz AYRUKFAORLRPFV-CYBMUJFWSA-N 2 3 280.416 -0.262 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655968 815652904 /nfs/dbraw/zinc/65/29/04/815652904.db2.gz SHYNLUIBCSOLPE-FRRDWIJNSA-N 2 3 286.420 -0.598 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967024 815691078 /nfs/dbraw/zinc/69/10/78/815691078.db2.gz IRFYQEUXIYZKSM-SFYZADRCSA-N 2 3 250.293 -0.753 20 0 CBADHP CN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001161062510 815706278 /nfs/dbraw/zinc/70/62/78/815706278.db2.gz KPOUEDIPFZIMDJ-VWYCJHECSA-N 2 3 274.434 -0.266 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001161081635 815710345 /nfs/dbraw/zinc/71/03/45/815710345.db2.gz LDKYGKXGRXBHBC-MGPQQGTHSA-N 2 3 280.416 -0.134 20 0 CBADHP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H]1CC[NH2+]C1 ZINC001161352115 815746278 /nfs/dbraw/zinc/74/62/78/815746278.db2.gz RNDRHRSDTPPUTD-VNHYZAJKSA-N 2 3 280.416 -0.216 20 0 CBADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]12 ZINC001161414470 815752665 /nfs/dbraw/zinc/75/26/65/815752665.db2.gz XEYBHXQMMUROGU-ZHZXCYKASA-N 2 3 278.400 -0.619 20 0 CBADHP CN(C)CCN(C(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161444365 815756068 /nfs/dbraw/zinc/75/60/68/815756068.db2.gz GRRRLWSQBFFYSF-AAVRWANBSA-N 2 3 280.416 -0.264 20 0 CBADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161489212 815759771 /nfs/dbraw/zinc/75/97/71/815759771.db2.gz RIPYOMBHJCBRTA-JQWIXIFHSA-N 2 3 274.434 -0.407 20 0 CBADHP N[C@@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170898019 820332136 /nfs/dbraw/zinc/33/21/36/820332136.db2.gz BABCZYUUXIMWEF-GFCCVEGCSA-N 2 3 264.377 -0.073 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532369 824585864 /nfs/dbraw/zinc/58/58/64/824585864.db2.gz FXOWYYJEOGTYBF-HTQZYQBOSA-N 2 3 283.401 -0.036 20 0 CBADHP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219635401 824868911 /nfs/dbraw/zinc/86/89/11/824868911.db2.gz FMKXXIUXVNNSMG-SRVKXCTJSA-N 2 3 284.379 -0.323 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@H](N)C2CC[NH2+]CC2)C[NH2+]1 ZINC001219684549 824877867 /nfs/dbraw/zinc/87/78/67/824877867.db2.gz POVQHBLSFMWUEL-CKYFFXLPSA-N 2 3 254.378 -0.573 20 0 CBADHP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219768711 824891373 /nfs/dbraw/zinc/89/13/73/824891373.db2.gz PLQUFNWIJWCNEO-GXFFZTMASA-N 2 3 270.352 -0.997 20 0 CBADHP N=c1cc(C[NH3+])ccn1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220044949 824942491 /nfs/dbraw/zinc/94/24/91/824942491.db2.gz FQCRBMUVBNHVRT-GFCCVEGCSA-N 2 3 263.345 -0.607 20 0 CBADHP C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220052870 824945420 /nfs/dbraw/zinc/94/54/20/824945420.db2.gz HMIWNKHUGKWEAB-LBPRGKRZSA-N 2 3 268.405 -0.214 20 0 CBADHP C[NH2+]CCNC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220052870 824945423 /nfs/dbraw/zinc/94/54/23/824945423.db2.gz HMIWNKHUGKWEAB-LBPRGKRZSA-N 2 3 268.405 -0.214 20 0 CBADHP C[NH2+]CCNC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220052870 824945426 /nfs/dbraw/zinc/94/54/26/824945426.db2.gz HMIWNKHUGKWEAB-LBPRGKRZSA-N 2 3 268.405 -0.214 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)[N-]C(=N)SCC[NH3+] ZINC001220106412 824955970 /nfs/dbraw/zinc/95/59/70/824955970.db2.gz MGONXHLWFUEBAJ-QMMMGPOBSA-N 2 3 261.395 -0.554 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220150078 824969209 /nfs/dbraw/zinc/96/92/09/824969209.db2.gz PMQWKGRTHQDYOI-TUAOUCFPSA-N 2 3 256.394 -0.101 20 0 CBADHP COCCC[NH+]1CCC(NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001220200313 824984529 /nfs/dbraw/zinc/98/45/29/824984529.db2.gz HCOMYMJHQKSIMJ-ZDUSSCGKSA-N 2 3 286.420 -0.330 20 0 CBADHP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220253725 824996889 /nfs/dbraw/zinc/99/68/89/824996889.db2.gz ALTKGVORUTYTRG-IUODEOHRSA-N 2 3 282.432 -0.111 20 0 CBADHP N[C@H](C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319144 825013936 /nfs/dbraw/zinc/01/39/36/825013936.db2.gz DIPINENMSIWVRQ-IPYPFGDCSA-N 2 3 296.415 -0.659 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800639 825104146 /nfs/dbraw/zinc/10/41/46/825104146.db2.gz SLRXOEPTPGJRMR-CIUDSAMLSA-N 2 3 282.310 -0.291 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220853069 825112533 /nfs/dbraw/zinc/11/25/33/825112533.db2.gz KHWOAABWMKSWCR-LBPRGKRZSA-N 2 3 250.346 -0.172 20 0 CBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220937673 825127443 /nfs/dbraw/zinc/12/74/43/825127443.db2.gz XHAHXRYQDHEQMH-STQMWFEESA-N 2 3 296.415 -0.645 20 0 CBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220937673 825127450 /nfs/dbraw/zinc/12/74/50/825127450.db2.gz XHAHXRYQDHEQMH-STQMWFEESA-N 2 3 296.415 -0.645 20 0 CBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220937672 825127523 /nfs/dbraw/zinc/12/75/23/825127523.db2.gz XHAHXRYQDHEQMH-QWHCGFSZSA-N 2 3 296.415 -0.645 20 0 CBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220937672 825127526 /nfs/dbraw/zinc/12/75/26/825127526.db2.gz XHAHXRYQDHEQMH-QWHCGFSZSA-N 2 3 296.415 -0.645 20 0 CBADHP COCCC1([NH3+])CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001221133929 825147363 /nfs/dbraw/zinc/14/73/63/825147363.db2.gz CHRLLPJEEZQDFZ-LLVKDONJSA-N 2 3 272.393 -0.591 20 0 CBADHP NCCC[NH2+]CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238878696 825567742 /nfs/dbraw/zinc/56/77/42/825567742.db2.gz JUDRWODJDGVCSC-UHFFFAOYSA-N 2 3 292.449 -0.766 20 0 CBADHP [NH3+][C@H]1CCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246016727 825621261 /nfs/dbraw/zinc/62/12/61/825621261.db2.gz NGLNTHGHBTXFSP-STQMWFEESA-N 2 3 271.405 -0.335 20 0 CBADHP O[C@@]1(C[NH2+][C@H]2CCOC3(C[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246080973 825633196 /nfs/dbraw/zinc/63/31/96/825633196.db2.gz HVQCTKVWEBXMJY-GMXVVIOVSA-N 2 3 273.352 -0.841 20 0 CBADHP O[C@@]1(C[NH2+][C@H]2CSC3(C[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246080926 825633778 /nfs/dbraw/zinc/63/37/78/825633778.db2.gz GXLPSZKSRVFVOJ-JFGNBEQYSA-N 2 3 275.393 -0.514 20 0 CBADHP c1nc(CN[C@H]2CCNC3(C[NH2+]C3)C2)c2n1CCC[NH2+]C2 ZINC001246245860 825655583 /nfs/dbraw/zinc/65/55/83/825655583.db2.gz AZLIPLJJSCECSX-LBPRGKRZSA-N 2 3 290.415 -0.440 20 0 CBADHP OC[C@H]1CNC[C@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300506 825662609 /nfs/dbraw/zinc/66/26/09/825662609.db2.gz RXSMIKNGWODAQI-NELGMTEASA-N 2 3 269.389 -0.543 20 0 CBADHP [NH3+]CC[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246528591 825681990 /nfs/dbraw/zinc/68/19/90/825681990.db2.gz AJNOMPVVCHAYPY-RYUDHWBXSA-N 2 3 254.378 -0.870 20 0 CBADHP C1C[C@@]2(C[NH2+]1)CN([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC001246641205 825701121 /nfs/dbraw/zinc/70/11/21/825701121.db2.gz HWQCZUWBNUXQAC-XJFOESAGSA-N 2 3 250.390 -0.378 20 0 CBADHP C1[NH2+]CC12C[C@H](N1CCN(C3CC[NH2+]CC3)CC1)CCN2 ZINC001246785402 825710841 /nfs/dbraw/zinc/71/08/41/825710841.db2.gz AOCMPECCXLEDQK-OAHLLOKOSA-N 2 3 293.459 -0.550 20 0 CBADHP [NH3+]CCCOC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001332816906 887437221 /nfs/dbraw/zinc/43/72/21/887437221.db2.gz YWHBGGZZLWNADG-DRZSPHRISA-N 2 3 257.378 -0.333 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC001334774227 888321452 /nfs/dbraw/zinc/32/14/52/888321452.db2.gz GVFUYCXBVPMWDQ-QWHCGFSZSA-N 2 3 268.405 -0.146 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC001334774227 888321467 /nfs/dbraw/zinc/32/14/67/888321467.db2.gz GVFUYCXBVPMWDQ-QWHCGFSZSA-N 2 3 268.405 -0.146 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[NH2+]CCOCCC[NH3+])C1 ZINC001348448463 890626646 /nfs/dbraw/zinc/62/66/46/890626646.db2.gz YQIPRNVDISGZQL-LBPRGKRZSA-N 2 3 272.393 -0.861 20 0 CBADHP NCC(=O)N1CCC[C@H](C[NH2+]CCOCCC[NH3+])C1 ZINC001348448462 890626659 /nfs/dbraw/zinc/62/66/59/890626659.db2.gz YQIPRNVDISGZQL-GFCCVEGCSA-N 2 3 272.393 -0.861 20 0 CBADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550935061 923756745 /nfs/dbraw/zinc/75/67/45/923756745.db2.gz PBVJGFGIIXVVGZ-UPJWGTAASA-N 2 3 251.374 -0.094 20 0 CBADHP CNC[C@@](C)(O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570100734 354854294 /nfs/dbraw/zinc/85/42/94/354854294.db2.gz UTYYZFASBFYYSZ-HZSPNIEDSA-N 2 3 271.405 -0.215 20 0 CBADHP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000629653787 356788716 /nfs/dbraw/zinc/78/87/16/356788716.db2.gz NRPHYCDRGUJGSO-CYBMUJFWSA-N 2 3 286.420 -0.649 20 0 CBADHP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000629653787 356788718 /nfs/dbraw/zinc/78/87/18/356788718.db2.gz NRPHYCDRGUJGSO-CYBMUJFWSA-N 2 3 286.420 -0.649 20 0 CBADHP C(CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000530240111 374069443 /nfs/dbraw/zinc/06/94/43/374069443.db2.gz KRPHXDFYXXGURB-MRXNPFEDSA-N 2 3 296.459 -0.018 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662242026 419557628 /nfs/dbraw/zinc/55/76/28/419557628.db2.gz AQRATRKZHQWSBT-QWHCGFSZSA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662242026 419557633 /nfs/dbraw/zinc/55/76/33/419557633.db2.gz AQRATRKZHQWSBT-QWHCGFSZSA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000647542309 419605258 /nfs/dbraw/zinc/60/52/58/419605258.db2.gz OGUBTHNPDAYHLJ-RDBSUJKOSA-N 2 3 280.416 -0.133 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000563875484 328541026 /nfs/dbraw/zinc/54/10/26/328541026.db2.gz SVKYFLGICJATOM-CYBMUJFWSA-N 2 3 285.436 -0.142 20 0 CBADHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)C1 ZINC000903475749 584891135 /nfs/dbraw/zinc/89/11/35/584891135.db2.gz CDKLOYAVKMCOEW-VJTDZRGJSA-N 2 3 294.399 -0.019 20 0 CBADHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)C1 ZINC000903475749 584891136 /nfs/dbraw/zinc/89/11/36/584891136.db2.gz CDKLOYAVKMCOEW-VJTDZRGJSA-N 2 3 294.399 -0.019 20 0 CBADHP [NH3+]CCOCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903817691 584900722 /nfs/dbraw/zinc/90/07/22/584900722.db2.gz DOLJFRFGJWINCM-UHFFFAOYSA-N 2 3 257.378 -0.194 20 0 CBADHP [NH3+]CCOCC[N@H+]1CCNCCC12CCOCC2 ZINC000903817691 584900724 /nfs/dbraw/zinc/90/07/24/584900724.db2.gz DOLJFRFGJWINCM-UHFFFAOYSA-N 2 3 257.378 -0.194 20 0 CBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000903977092 584905546 /nfs/dbraw/zinc/90/55/46/584905546.db2.gz ISVFPVIEMPKMLS-OBORUHMCSA-N 2 3 279.384 -0.192 20 0 CBADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000923412054 658264900 /nfs/dbraw/zinc/26/49/00/658264900.db2.gz WFZAEEXYABXRJC-AJNGGQMLSA-N 2 3 283.416 -0.073 20 0 CBADHP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157536330 815442764 /nfs/dbraw/zinc/44/27/64/815442764.db2.gz KWDHHSSVAXHFGU-VWYCJHECSA-N 2 3 260.357 -0.447 20 0 CBADHP CC1([NH3+])CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157632525 815449056 /nfs/dbraw/zinc/44/90/56/815449056.db2.gz CSAVRPXUMZMGGI-SNVBAGLBSA-N 2 3 252.362 -0.580 20 0 CBADHP C[C@@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001157804870 815468724 /nfs/dbraw/zinc/46/87/24/815468724.db2.gz YWTHOYSCSGELQS-USWWRNFRSA-N 2 3 254.378 -0.491 20 0 CBADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157841870 815470793 /nfs/dbraw/zinc/47/07/93/815470793.db2.gz IJILCMMMDNDHJU-IJLUTSLNSA-N 2 3 266.389 -0.619 20 0 CBADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157841873 815471081 /nfs/dbraw/zinc/47/10/81/815471081.db2.gz IJILCMMMDNDHJU-WOPDTQHZSA-N 2 3 266.389 -0.619 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070627 815500254 /nfs/dbraw/zinc/50/02/54/815500254.db2.gz LIMBTBDIMKECKX-LLVKDONJSA-N 2 3 270.377 -0.966 20 0 CBADHP [NH3+]C1CC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001158083192 815503336 /nfs/dbraw/zinc/50/33/36/815503336.db2.gz YFTRKKIVLKTXGZ-MLGOLLRUSA-N 2 3 292.427 -0.085 20 0 CBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161518 815507099 /nfs/dbraw/zinc/50/70/99/815507099.db2.gz PMHNSBGSJDCVEQ-DOMZBBRYSA-N 2 3 278.400 -0.460 20 0 CBADHP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158162294 815507120 /nfs/dbraw/zinc/50/71/20/815507120.db2.gz WYWMNIJTAODJKL-VNQPRFMTSA-N 2 3 292.427 -0.070 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168972 815508459 /nfs/dbraw/zinc/50/84/59/815508459.db2.gz LEILQWQHSNKJQH-LLVKDONJSA-N 2 3 254.378 -0.203 20 0 CBADHP O=C(N1CCC2(CCC[NH2+]2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158168010 815508596 /nfs/dbraw/zinc/50/85/96/815508596.db2.gz AAVXUOUWRXZIBH-CZUORRHYSA-N 2 3 292.427 -0.070 20 0 CBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170399 815509551 /nfs/dbraw/zinc/50/95/51/815509551.db2.gz YFRXSZACEZMFRK-LBPRGKRZSA-N 2 3 278.400 -0.460 20 0 CBADHP N[C@H](C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC001158422415 815528184 /nfs/dbraw/zinc/52/81/84/815528184.db2.gz KUWJBTZHBVFVHK-SRVKXCTJSA-N 2 3 252.362 -0.724 20 0 CBADHP N[C@H](C(=O)N1CCC[C@H]2[NH2+]C[C@H]21)C1CC[NH2+]CC1 ZINC001158422417 815528404 /nfs/dbraw/zinc/52/84/04/815528404.db2.gz KUWJBTZHBVFVHK-UTUOFQBUSA-N 2 3 252.362 -0.724 20 0 CBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158426369 815529406 /nfs/dbraw/zinc/52/94/06/815529406.db2.gz ZCBWKYBZLXIGLN-FRRDWIJNSA-N 2 3 278.400 -0.177 20 0 CBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158426369 815529409 /nfs/dbraw/zinc/52/94/09/815529409.db2.gz ZCBWKYBZLXIGLN-FRRDWIJNSA-N 2 3 278.400 -0.177 20 0 CBADHP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC001118276662 812517074 /nfs/dbraw/zinc/51/70/74/812517074.db2.gz AVQATIXTIIQYGD-AGIUHOORSA-N 2 3 268.405 -0.005 20 0 CBADHP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC001118276662 812517078 /nfs/dbraw/zinc/51/70/78/812517078.db2.gz AVQATIXTIIQYGD-AGIUHOORSA-N 2 3 268.405 -0.005 20 0 CBADHP N[C@H](C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C1CC[NH2+]CC1 ZINC001158579862 815539424 /nfs/dbraw/zinc/53/94/24/815539424.db2.gz YOXRFVYBMVMJSP-AVGNSLFASA-N 2 3 298.406 -0.151 20 0 CBADHP N[C@H](C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C1CC[NH2+]CC1 ZINC001158579861 815539475 /nfs/dbraw/zinc/53/94/75/815539475.db2.gz YOXRFVYBMVMJSP-AGIUHOORSA-N 2 3 298.406 -0.151 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972980 815693596 /nfs/dbraw/zinc/69/35/96/815693596.db2.gz UNQIFUUITFQCPN-YUMQZZPRSA-N 2 3 282.360 -0.800 20 0 CBADHP N[C@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC001161009743 815694925 /nfs/dbraw/zinc/69/49/25/815694925.db2.gz XSJNWTYXWFPHOQ-OLZOCXBDSA-N 2 3 296.415 -0.971 20 0 CBADHP CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058546 815705589 /nfs/dbraw/zinc/70/55/89/815705589.db2.gz XSBSOUMQKUDRGX-SDDRHHMPSA-N 2 3 266.389 -0.476 20 0 CBADHP CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)C1(C)CC[NH2+]CC1 ZINC001161067613 815707330 /nfs/dbraw/zinc/70/73/30/815707330.db2.gz KDOHRHVNXJDYCY-NSHDSACASA-N 2 3 266.389 -0.604 20 0 CBADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]2C1 ZINC001161175281 815724846 /nfs/dbraw/zinc/72/48/46/815724846.db2.gz KEWCUYOHSACMRZ-UPJWGTAASA-N 2 3 268.405 -0.147 20 0 CBADHP CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161340138 815746218 /nfs/dbraw/zinc/74/62/18/815746218.db2.gz PECYIOIMCFFAAH-CHWSQXEVSA-N 2 3 268.405 -0.086 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378900 815749026 /nfs/dbraw/zinc/74/90/26/815749026.db2.gz NXTAYUSHXCVZMF-QWHCGFSZSA-N 2 3 283.420 -0.923 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412772 815751561 /nfs/dbraw/zinc/75/15/61/815751561.db2.gz MLCYJFGIGOHNIO-USZNOCQGSA-N 2 3 254.378 -0.362 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414461 815752833 /nfs/dbraw/zinc/75/28/33/815752833.db2.gz XCSUHAPZMXZPOV-VLEAKVRGSA-N 2 3 272.418 -0.799 20 0 CBADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]12 ZINC001161414467 815753310 /nfs/dbraw/zinc/75/33/10/815753310.db2.gz XEYBHXQMMUROGU-FTQJZPFOSA-N 2 3 278.400 -0.619 20 0 CBADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161488300 815760666 /nfs/dbraw/zinc/76/06/66/815760666.db2.gz CJLCFQODKUMKRO-DGCLKSJQSA-N 2 3 266.389 -0.617 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510410 815765007 /nfs/dbraw/zinc/76/50/07/815765007.db2.gz OOLWPDSWWKHJLW-STQMWFEESA-N 2 3 298.431 -0.332 20 0 CBADHP COCCC[NH+]1CCC(NCCN(C)CC[NH3+])CC1 ZINC001172247390 820393102 /nfs/dbraw/zinc/39/31/02/820393102.db2.gz ITCCGFGGMFANSY-UHFFFAOYSA-N 2 3 272.437 -0.033 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@H+](CC[C@H]2CNCCO2)CC1 ZINC001205209316 824375941 /nfs/dbraw/zinc/37/59/41/824375941.db2.gz IMQISOQGYMHJOS-QWHCGFSZSA-N 2 3 257.378 -0.459 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@@H+](CC[C@H]2CNCCO2)CC1 ZINC001205209316 824375948 /nfs/dbraw/zinc/37/59/48/824375948.db2.gz IMQISOQGYMHJOS-QWHCGFSZSA-N 2 3 257.378 -0.459 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532371 824585942 /nfs/dbraw/zinc/58/59/42/824585942.db2.gz FXOWYYJEOGTYBF-SFYZADRCSA-N 2 3 283.401 -0.036 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641402 824613015 /nfs/dbraw/zinc/61/30/15/824613015.db2.gz RADYODGDJRUZSM-SNVBAGLBSA-N 2 3 252.322 -0.968 20 0 CBADHP N[C@H](C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610072 824854854 /nfs/dbraw/zinc/85/48/54/824854854.db2.gz KMDKNCANPGBZFI-ONGXEEELSA-N 2 3 294.321 -0.276 20 0 CBADHP N[C@@H](C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001219610070 824855289 /nfs/dbraw/zinc/85/52/89/824855289.db2.gz KMDKNCANPGBZFI-KOLCDFICSA-N 2 3 294.321 -0.276 20 0 CBADHP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219642277 824869701 /nfs/dbraw/zinc/86/97/01/824869701.db2.gz QYGAQWVLGDGOGV-QVHKTLOISA-N 2 3 280.416 -0.453 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741496 824888520 /nfs/dbraw/zinc/88/85/20/824888520.db2.gz MBBJOENPRBWKPQ-RYUDHWBXSA-N 2 3 284.404 -0.530 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852105 824902919 /nfs/dbraw/zinc/90/29/19/824902919.db2.gz MBZBIFSZJCOBDM-ZDEQEGDKSA-N 2 3 284.404 -0.817 20 0 CBADHP N=c1cc(C[NH3+])ccn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220045057 824942624 /nfs/dbraw/zinc/94/26/24/824942624.db2.gz KDJMUOGBCWEPGE-BREBYQMCSA-N 2 3 261.329 -0.712 20 0 CBADHP CC(C)(C)OC[C@H](N)CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220102958 824955201 /nfs/dbraw/zinc/95/52/01/824955201.db2.gz AHEBTELNURSYRF-SNVBAGLBSA-N 2 3 287.408 -0.020 20 0 CBADHP N=C(NC(=O)[C@@H](N)C1CC[NH2+]CC1)SCC[NH3+] ZINC001220106250 824957103 /nfs/dbraw/zinc/95/71/03/824957103.db2.gz GLGNVSPOINMZNF-QMMMGPOBSA-N 2 3 259.379 -0.944 20 0 CBADHP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220150350 824969633 /nfs/dbraw/zinc/96/96/33/824969633.db2.gz ZYEGXZKKGSYYJC-GRYCIOLGSA-N 2 3 266.389 -0.286 20 0 CBADHP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220150350 824969635 /nfs/dbraw/zinc/96/96/35/824969635.db2.gz ZYEGXZKKGSYYJC-GRYCIOLGSA-N 2 3 266.389 -0.286 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394812 825027882 /nfs/dbraw/zinc/02/78/82/825027882.db2.gz NLIFPKYUJCLKNH-NSHDSACASA-N 2 3 286.445 -0.392 20 0 CBADHP O=C(NCC12CC[NH+](CC1)CC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220394874 825028594 /nfs/dbraw/zinc/02/85/94/825028594.db2.gz PBLYIVZECIVTAA-CZUORRHYSA-N 2 3 292.427 -0.212 20 0 CBADHP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CC23CNC3)CCCC1 ZINC001220494277 825050672 /nfs/dbraw/zinc/05/06/72/825050672.db2.gz IOGNCJDUHSHAJZ-SNVBAGLBSA-N 2 3 252.362 -0.817 20 0 CBADHP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[NH2+]CC12CNC2 ZINC001220678486 825084699 /nfs/dbraw/zinc/08/46/99/825084699.db2.gz AUHUUSNUWSIQLM-MROQNXINSA-N 2 3 278.400 -0.415 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220855075 825113718 /nfs/dbraw/zinc/11/37/18/825113718.db2.gz LBJPVNGHFZMJHA-LBPRGKRZSA-N 2 3 282.413 -0.219 20 0 CBADHP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220884459 825120267 /nfs/dbraw/zinc/12/02/67/825120267.db2.gz CPZPQBLHKFWUCA-NWDGAFQWSA-N 2 3 266.389 -0.271 20 0 CBADHP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220884459 825120271 /nfs/dbraw/zinc/12/02/71/825120271.db2.gz CPZPQBLHKFWUCA-NWDGAFQWSA-N 2 3 266.389 -0.271 20 0 CBADHP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221365707 825175709 /nfs/dbraw/zinc/17/57/09/825175709.db2.gz HKMQMNIPUVDWBE-GRYCIOLGSA-N 2 3 284.379 -0.323 20 0 CBADHP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221365708 825175722 /nfs/dbraw/zinc/17/57/22/825175722.db2.gz HKMQMNIPUVDWBE-IJLUTSLNSA-N 2 3 284.379 -0.323 20 0 CBADHP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC12CNC2 ZINC001221410808 825185302 /nfs/dbraw/zinc/18/53/02/825185302.db2.gz RLPSOCMVTMUEMH-OLZOCXBDSA-N 2 3 278.400 -0.700 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408118 825185464 /nfs/dbraw/zinc/18/54/64/825185464.db2.gz HGJAFNWFJFZICW-NWDGAFQWSA-N 2 3 254.378 -0.443 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408119 825185827 /nfs/dbraw/zinc/18/58/27/825185827.db2.gz HGJAFNWFJFZICW-RYUDHWBXSA-N 2 3 254.378 -0.443 20 0 CBADHP N[C@@H](C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001221408048 825185917 /nfs/dbraw/zinc/18/59/17/825185917.db2.gz GGUISMSEAYAHAC-KGLIPLIRSA-N 2 3 280.416 -0.182 20 0 CBADHP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491462 825212784 /nfs/dbraw/zinc/21/27/84/825212784.db2.gz BXZSPBCUGBIMPY-ZSLBOAEBSA-N 2 3 250.390 -0.522 20 0 CBADHP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491462 825212795 /nfs/dbraw/zinc/21/27/95/825212795.db2.gz BXZSPBCUGBIMPY-ZSLBOAEBSA-N 2 3 250.390 -0.522 20 0 CBADHP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491462 825212810 /nfs/dbraw/zinc/21/28/10/825212810.db2.gz BXZSPBCUGBIMPY-ZSLBOAEBSA-N 2 3 250.390 -0.522 20 0 CBADHP [NH3+]CCN(CC[NH3+])Cc1nc2c(s1)CNCC2 ZINC001235880098 825517700 /nfs/dbraw/zinc/51/77/00/825517700.db2.gz JNTOSXYJIGYZNN-UHFFFAOYSA-N 2 3 255.391 -0.492 20 0 CBADHP O[C@@H](CNC[C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979439 825615924 /nfs/dbraw/zinc/61/59/24/825615924.db2.gz AENFCALYSAHVFQ-QWHCGFSZSA-N 2 3 271.405 -0.559 20 0 CBADHP O[C@@H](CNC[C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245979430 825616960 /nfs/dbraw/zinc/61/69/60/825616960.db2.gz AENFCALYSAHVFQ-CHWSQXEVSA-N 2 3 271.405 -0.559 20 0 CBADHP O[C@]1(CNC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]C1 ZINC001245983403 825617705 /nfs/dbraw/zinc/61/77/05/825617705.db2.gz GGYQZAGRYXJEBQ-GXTWGEPZSA-N 2 3 268.405 -0.825 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989287 825617784 /nfs/dbraw/zinc/61/77/84/825617784.db2.gz FQTJFTUDRYRXDA-BFHYXJOUSA-N 2 3 285.432 -0.313 20 0 CBADHP COC(=O)C1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246097411 825636572 /nfs/dbraw/zinc/63/65/72/825636572.db2.gz OOGGHHCADJRYKN-UHFFFAOYSA-N 2 3 255.362 -0.129 20 0 CBADHP COC(=O)C1(CNC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246097411 825636578 /nfs/dbraw/zinc/63/65/78/825636578.db2.gz OOGGHHCADJRYKN-UHFFFAOYSA-N 2 3 255.362 -0.129 20 0 CBADHP OC[C@@H]1CNC[C@@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246300505 825662272 /nfs/dbraw/zinc/66/22/72/825662272.db2.gz RXSMIKNGWODAQI-AHPWVWPOSA-N 2 3 269.389 -0.543 20 0 CBADHP C[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1CN ZINC001246551953 825684275 /nfs/dbraw/zinc/68/42/75/825684275.db2.gz MVBAHGDNOZVYEP-AGIUHOORSA-N 2 3 252.406 -0.003 20 0 CBADHP C[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1CN ZINC001246551953 825684278 /nfs/dbraw/zinc/68/42/78/825684278.db2.gz MVBAHGDNOZVYEP-AGIUHOORSA-N 2 3 252.406 -0.003 20 0 CBADHP C1[NH2+]CC12C[C@H](N1CCN[C@H]3CC[NH2+]CC[C@@H]31)CS2 ZINC001246618114 825695452 /nfs/dbraw/zinc/69/54/52/825695452.db2.gz KDAZPJZDCGBAIO-AVGNSLFASA-N 2 3 282.457 -0.140 20 0 CBADHP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3CNCC[C@H]31)CCN2 ZINC001246625094 825696774 /nfs/dbraw/zinc/69/67/74/825696774.db2.gz QZJZMKZCSAZWJZ-RWMBFGLXSA-N 2 3 250.390 -0.236 20 0 CBADHP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3CNCC[C@H]31)CCN2 ZINC001246625094 825696775 /nfs/dbraw/zinc/69/67/75/825696775.db2.gz QZJZMKZCSAZWJZ-RWMBFGLXSA-N 2 3 250.390 -0.236 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429079 886061829 /nfs/dbraw/zinc/06/18/29/886061829.db2.gz YOFFLTMRUBWRMM-RYUDHWBXSA-N 2 3 254.378 -0.536 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC001329429079 886061837 /nfs/dbraw/zinc/06/18/37/886061837.db2.gz YOFFLTMRUBWRMM-RYUDHWBXSA-N 2 3 254.378 -0.536 20 0 CBADHP [NH3+]CCCNCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795499 884791729 /nfs/dbraw/zinc/79/17/29/884791729.db2.gz AWASKXRZJWZXBM-UHFFFAOYSA-N 2 3 297.447 -0.743 20 0 CBADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001326187846 884937472 /nfs/dbraw/zinc/93/74/72/884937472.db2.gz KYDFCTIEGQXYAT-CYBMUJFWSA-N 2 3 268.405 -0.146 20 0 CBADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCN1CC[NH2+]CC1 ZINC001331981273 887074604 /nfs/dbraw/zinc/07/46/04/887074604.db2.gz OUTAMTVPCDIUDM-CYBMUJFWSA-N 2 3 293.419 -0.803 20 0 CBADHP COc1ccc([C@@H](C[NH3+])CNC(CN)C[NH3+])cc1 ZINC001335191034 888440937 /nfs/dbraw/zinc/44/09/37/888440937.db2.gz XKKHKWHDHQJZLT-NSHDSACASA-N 2 3 252.362 -0.387 20 0 CBADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC001335266909 888476541 /nfs/dbraw/zinc/47/65/41/888476541.db2.gz ICJSZBIKZWBXCU-FPMFFAJLSA-N 2 3 270.421 -0.249 20 0 CBADHP C[NH2+]C[C@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574142149 354929764 /nfs/dbraw/zinc/92/97/64/354929764.db2.gz IIFFHXMXMFGFPC-ZDUSSCGKSA-N 2 3 287.452 -0.023 20 0 CBADHP [NH3+]CCOCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000578533310 354948885 /nfs/dbraw/zinc/94/88/85/354948885.db2.gz BQXWNXJQESSDAC-LBPRGKRZSA-N 2 3 272.393 -0.719 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000577843292 374340407 /nfs/dbraw/zinc/34/04/07/374340407.db2.gz WHCOYBKNMZCVOP-CYBMUJFWSA-N 2 3 285.436 -0.127 20 0 CBADHP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000262107327 419599740 /nfs/dbraw/zinc/59/97/40/419599740.db2.gz JWUPILCIDSPTCO-AWEZNQCLSA-N 2 3 252.406 -0.035 20 0 CBADHP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000262107327 419599747 /nfs/dbraw/zinc/59/97/47/419599747.db2.gz JWUPILCIDSPTCO-AWEZNQCLSA-N 2 3 252.406 -0.035 20 0 CBADHP [NH3+]CC(=O)N1CCC[C@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000647542307 419608323 /nfs/dbraw/zinc/60/83/23/419608323.db2.gz OGUBTHNPDAYHLJ-MCIONIFRSA-N 2 3 280.416 -0.133 20 0 CBADHP [NH3+]C[C@]12CCC[C@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC000652352399 420059403 /nfs/dbraw/zinc/05/94/03/420059403.db2.gz PZQILGWXMNKDEG-KBPBESRZSA-N 2 3 252.406 -0.048 20 0 CBADHP C[C@H](CC[NH3+])NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569204957 334861204 /nfs/dbraw/zinc/86/12/04/334861204.db2.gz ZYGNZPUSIOWUIR-GFCCVEGCSA-N 2 3 273.425 -0.142 20 0 CBADHP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000873229422 584069001 /nfs/dbraw/zinc/06/90/01/584069001.db2.gz YITNBSXUZAUDRD-KCQAQPDRSA-N 2 3 280.416 -0.275 20 0 CBADHP C[NH2+]C[C@@](C)(O)CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453285 658286468 /nfs/dbraw/zinc/28/64/68/658286468.db2.gz WWZYUXGSZJDCRV-CHWSQXEVSA-N 2 3 271.405 -0.213 20 0 CBADHP CC[C@@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705919096 656187688 /nfs/dbraw/zinc/18/76/88/656187688.db2.gz RQBGBQGMZLJVRL-JHJVBQTASA-N 2 3 270.421 -0.079 20 0 CBADHP C[NH2+]CC1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160456964 815625643 /nfs/dbraw/zinc/62/56/43/815625643.db2.gz WKQACJMCNMBYKO-GFCCVEGCSA-N 2 3 266.389 -0.747 20 0 CBADHP [NH3+]C1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160511889 815632408 /nfs/dbraw/zinc/63/24/08/815632408.db2.gz XPKZEXHKPNLLIJ-GFCCVEGCSA-N 2 3 266.389 -0.190 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161621 815507415 /nfs/dbraw/zinc/50/74/15/815507415.db2.gz WKNCKPKWWJVDSJ-AAEUAGOBSA-N 2 3 254.378 -0.203 20 0 CBADHP N[C@H](C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21)C1CC[NH2+]CC1 ZINC001158422416 815527814 /nfs/dbraw/zinc/52/78/14/815527814.db2.gz KUWJBTZHBVFVHK-TUAOUCFPSA-N 2 3 252.362 -0.724 20 0 CBADHP O=C(N1CCC[C@@H]2[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158424344 815527972 /nfs/dbraw/zinc/52/79/72/815527972.db2.gz RPHOUZFZTKXFEZ-GFQSEFKGSA-N 2 3 264.373 -0.852 20 0 CBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158426370 815528758 /nfs/dbraw/zinc/52/87/58/815528758.db2.gz ZCBWKYBZLXIGLN-RWMBFGLXSA-N 2 3 278.400 -0.177 20 0 CBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158426370 815528762 /nfs/dbraw/zinc/52/87/62/815528762.db2.gz ZCBWKYBZLXIGLN-RWMBFGLXSA-N 2 3 278.400 -0.177 20 0 CBADHP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179333 812485526 /nfs/dbraw/zinc/48/55/26/812485526.db2.gz QYUBXKWCBQFANW-AVGNSLFASA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179333 812485532 /nfs/dbraw/zinc/48/55/32/812485532.db2.gz QYUBXKWCBQFANW-AVGNSLFASA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179335 812485907 /nfs/dbraw/zinc/48/59/07/812485907.db2.gz QYUBXKWCBQFANW-XQQFMLRXSA-N 2 3 268.405 -0.147 20 0 CBADHP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001118179335 812485912 /nfs/dbraw/zinc/48/59/12/812485912.db2.gz QYUBXKWCBQFANW-XQQFMLRXSA-N 2 3 268.405 -0.147 20 0 CBADHP C[NH2+]CC1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160458761 815625553 /nfs/dbraw/zinc/62/55/53/815625553.db2.gz DCCQZZFAPPHFGN-LBPRGKRZSA-N 2 3 256.394 -0.099 20 0 CBADHP [NH3+]C1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160511889 815632403 /nfs/dbraw/zinc/63/24/03/815632403.db2.gz XPKZEXHKPNLLIJ-GFCCVEGCSA-N 2 3 266.389 -0.190 20 0 CBADHP CN(C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001160646396 815651446 /nfs/dbraw/zinc/65/14/46/815651446.db2.gz YSDUFVCLDLKQTK-BXUZGUMPSA-N 2 3 266.389 -0.652 20 0 CBADHP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160962169 815691549 /nfs/dbraw/zinc/69/15/49/815691549.db2.gz AAGNVWKCTWMLTM-YRGRVCCFSA-N 2 3 278.400 -0.795 20 0 CBADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161049930 815703837 /nfs/dbraw/zinc/70/38/37/815703837.db2.gz JUYDOTRVYHJAOW-NEPJUHHUSA-N 2 3 288.461 -0.053 20 0 CBADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161049930 815703844 /nfs/dbraw/zinc/70/38/44/815703844.db2.gz JUYDOTRVYHJAOW-NEPJUHHUSA-N 2 3 288.461 -0.053 20 0 CBADHP CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058545 815704943 /nfs/dbraw/zinc/70/49/43/815704943.db2.gz XSBSOUMQKUDRGX-QJPTWQEYSA-N 2 3 266.389 -0.476 20 0 CBADHP CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062508 815705947 /nfs/dbraw/zinc/70/59/47/815705947.db2.gz KPOUEDIPFZIMDJ-OUAUKWLOSA-N 2 3 274.434 -0.266 20 0 CBADHP CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1(C)CC[NH2+]CC1 ZINC001161066855 815707527 /nfs/dbraw/zinc/70/75/27/815707527.db2.gz CIWLXYQWBVEPCV-IUODEOHRSA-N 2 3 280.416 -0.214 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081637 815709326 /nfs/dbraw/zinc/70/93/26/815709326.db2.gz LDKYGKXGRXBHBC-RDBSUJKOSA-N 2 3 280.416 -0.134 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001161083191 815712038 /nfs/dbraw/zinc/71/20/38/815712038.db2.gz RCKZHNCCSYYEPG-UTUOFQBUSA-N 2 3 254.378 -0.395 20 0 CBADHP CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161340141 815745503 /nfs/dbraw/zinc/74/55/03/815745503.db2.gz PECYIOIMCFFAAH-STQMWFEESA-N 2 3 268.405 -0.086 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376796 815748145 /nfs/dbraw/zinc/74/81/45/815748145.db2.gz DJFTVRGQKFUCTF-KGLIPLIRSA-N 2 3 297.447 -0.533 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532370 824586156 /nfs/dbraw/zinc/58/61/56/824586156.db2.gz FXOWYYJEOGTYBF-JGVFFNPUSA-N 2 3 283.401 -0.036 20 0 CBADHP C[C@H]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C[NH2+]1 ZINC001219587298 824737874 /nfs/dbraw/zinc/73/78/74/824737874.db2.gz ZKSCAFCWXHMAEW-GUBZILKMSA-N 2 3 260.407 -0.738 20 0 CBADHP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219646610 824873101 /nfs/dbraw/zinc/87/31/01/824873101.db2.gz VXQNARYQZWKPOL-WOPDTQHZSA-N 2 3 256.394 -0.196 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001219649949 824873264 /nfs/dbraw/zinc/87/32/64/824873264.db2.gz LWPDONXXUVNWHO-GMXVVIOVSA-N 2 3 268.405 -0.325 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])C[NH2+]1 ZINC001219683570 824877554 /nfs/dbraw/zinc/87/75/54/824877554.db2.gz AKOLSLDGOYCYHK-BBBLOLIVSA-N 2 3 260.407 -0.880 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831196 824898994 /nfs/dbraw/zinc/89/89/94/824898994.db2.gz AXYUUARIULZOIJ-MQYQWHSLSA-N 2 3 298.431 -0.461 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219867765 824904447 /nfs/dbraw/zinc/90/44/47/824904447.db2.gz RCNSCVHVLDHBLI-LLVKDONJSA-N 2 3 254.378 -0.475 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219867765 824904451 /nfs/dbraw/zinc/90/44/51/824904451.db2.gz RCNSCVHVLDHBLI-LLVKDONJSA-N 2 3 254.378 -0.475 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219867765 824904459 /nfs/dbraw/zinc/90/44/59/824904459.db2.gz RCNSCVHVLDHBLI-LLVKDONJSA-N 2 3 254.378 -0.475 20 0 CBADHP C[C@@H](C[NH+](C)C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219916201 824914259 /nfs/dbraw/zinc/91/42/59/824914259.db2.gz NRFUIJGNHWKPFE-DMDPSCGWSA-N 2 3 254.378 -0.748 20 0 CBADHP C[NH+](C)CCCCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219921789 824915606 /nfs/dbraw/zinc/91/56/06/824915606.db2.gz YECZFZYWHCIREL-NSHDSACASA-N 2 3 276.450 -0.146 20 0 CBADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001219978591 824928351 /nfs/dbraw/zinc/92/83/51/824928351.db2.gz PIZXTPWWBXPPAJ-RYUDHWBXSA-N 2 3 256.394 -0.099 20 0 CBADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001219978591 824928354 /nfs/dbraw/zinc/92/83/54/824928354.db2.gz PIZXTPWWBXPPAJ-RYUDHWBXSA-N 2 3 256.394 -0.099 20 0 CBADHP CN1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220157181 824972626 /nfs/dbraw/zinc/97/26/26/824972626.db2.gz ZRMBDGXFVQLHNL-MBNYWOFBSA-N 2 3 266.389 -0.604 20 0 CBADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220251804 824995761 /nfs/dbraw/zinc/99/57/61/824995761.db2.gz FYTNKMJKHXIOCQ-STQMWFEESA-N 2 3 268.405 -0.086 20 0 CBADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220251804 824995766 /nfs/dbraw/zinc/99/57/66/824995766.db2.gz FYTNKMJKHXIOCQ-STQMWFEESA-N 2 3 268.405 -0.086 20 0 CBADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220252023 824996351 /nfs/dbraw/zinc/99/63/51/824996351.db2.gz LUJJLOLOERRUMP-NWDGAFQWSA-N 2 3 266.389 -0.604 20 0 CBADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220252023 824996354 /nfs/dbraw/zinc/99/63/54/824996354.db2.gz LUJJLOLOERRUMP-NWDGAFQWSA-N 2 3 266.389 -0.604 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261225 824997411 /nfs/dbraw/zinc/99/74/11/824997411.db2.gz VBMGQWMCGOXAGC-NSHDSACASA-N 2 3 251.334 -0.561 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261224 824998309 /nfs/dbraw/zinc/99/83/09/824998309.db2.gz VBMGQWMCGOXAGC-LLVKDONJSA-N 2 3 251.334 -0.561 20 0 CBADHP [NH3+]CCN(C(=O)[C@H]1C[NH2+]CC12CNC2)c1cccnc1 ZINC001220261280 824999532 /nfs/dbraw/zinc/99/95/32/824999532.db2.gz WWHXTLRNSQMDKM-GFCCVEGCSA-N 2 3 275.356 -0.818 20 0 CBADHP NCc1ccc2c(n1)N(C(=O)[C@@H]([NH3+])CCC[NH3+])CCC2 ZINC001220376970 825023412 /nfs/dbraw/zinc/02/34/12/825023412.db2.gz FZVOUBGJAUVUAG-LBPRGKRZSA-N 2 3 277.372 -0.114 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394488 825028515 /nfs/dbraw/zinc/02/85/15/825028515.db2.gz IWRWLOBRAYSERS-LLVKDONJSA-N 2 3 254.378 -0.345 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884689 825119919 /nfs/dbraw/zinc/11/99/19/825119919.db2.gz KXCKJLMJMZILNK-NEPJUHHUSA-N 2 3 256.394 -0.086 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930026 825124694 /nfs/dbraw/zinc/12/46/94/825124694.db2.gz KLAOXBZDAHTTIK-NQBHXWOUSA-N 2 3 284.404 -0.450 20 0 CBADHP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(F)cc1 ZINC001221060441 825140554 /nfs/dbraw/zinc/14/05/54/825140554.db2.gz ABQBZOZWQHCTNX-ZDUSSCGKSA-N 2 3 292.358 -0.074 20 0 CBADHP C[NH+](C)CCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364348 825600437 /nfs/dbraw/zinc/60/04/37/825600437.db2.gz ZPRDAIOXNGDOLR-LBPRGKRZSA-N 2 3 299.488 -0.114 20 0 CBADHP [NH3+][C@@H](CO)Cc1cncn1[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246251875 825656571 /nfs/dbraw/zinc/65/65/71/825656571.db2.gz UIOJKBRVYUTPPF-MNOVXSKESA-N 2 3 265.361 -0.988 20 0 CBADHP COCCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246395058 825670668 /nfs/dbraw/zinc/67/06/68/825670668.db2.gz VIUNCJLDSBDLEL-CYBMUJFWSA-N 2 3 282.432 -0.171 20 0 CBADHP C[NH+](C)CCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246532074 825681882 /nfs/dbraw/zinc/68/18/82/825681882.db2.gz WDHNUKIVHFWOAZ-CQSZACIVSA-N 2 3 281.448 -0.740 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246541312 825682998 /nfs/dbraw/zinc/68/29/98/825682998.db2.gz FTBUVZRAOZVZSQ-QWHCGFSZSA-N 2 3 269.389 -0.317 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246541312 825682999 /nfs/dbraw/zinc/68/29/99/825682999.db2.gz FTBUVZRAOZVZSQ-QWHCGFSZSA-N 2 3 269.389 -0.317 20 0 CBADHP C1[NH2+]CC12CC[C@H](N1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641468 825700934 /nfs/dbraw/zinc/70/09/34/825700934.db2.gz IIWRWDBWRBYZEY-JSGCOSHPSA-N 2 3 250.390 -0.234 20 0 CBADHP CC(C)N1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001257211371 826040722 /nfs/dbraw/zinc/04/07/22/826040722.db2.gz IUMWWLRXJKWTOH-UHFFFAOYSA-N 2 3 288.396 -0.003 20 0 CBADHP c1nnn([C@H]2CCC[NH2+]C2)c1CNCCN1CC[NH2+]CC1 ZINC001331981274 887075560 /nfs/dbraw/zinc/07/55/60/887075560.db2.gz OUTAMTVPCDIUDM-ZDUSSCGKSA-N 2 3 293.419 -0.803 20 0 CBADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC001335266911 888476972 /nfs/dbraw/zinc/47/69/72/888476972.db2.gz ICJSZBIKZWBXCU-UBHSHLNASA-N 2 3 270.421 -0.249 20 0 CBADHP NCc1cn([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399016 890804960 /nfs/dbraw/zinc/80/49/60/890804960.db2.gz VDXBCQGWBRCDJK-AWEZNQCLSA-N 2 3 293.419 -0.721 20 0 CBADHP NCc1cn([C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)nn1 ZINC001349399016 890804968 /nfs/dbraw/zinc/80/49/68/890804968.db2.gz VDXBCQGWBRCDJK-AWEZNQCLSA-N 2 3 293.419 -0.721 20 0 CBADHP [NH3+][C@H]1C[C@@H](N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)[C@@H](O)C1 ZINC001550437631 923730575 /nfs/dbraw/zinc/73/05/75/923730575.db2.gz WFZAEEXYABXRJC-YJNKXOJESA-N 2 3 283.416 -0.073 20 0 CBADHP N[C@H]1C[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973600 923932219 /nfs/dbraw/zinc/93/22/19/923932219.db2.gz RDKPTSIENXTOQC-YUSLTOFOSA-N 2 3 278.400 -0.239 20 0 CBADHP N[C@H]1C[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC001552973600 923932227 /nfs/dbraw/zinc/93/22/27/923932227.db2.gz RDKPTSIENXTOQC-YUSLTOFOSA-N 2 3 278.400 -0.239 20 0 CBADHP C[C@@]1(CN2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1 ZINC000567110360 354781612 /nfs/dbraw/zinc/78/16/12/354781612.db2.gz AROPHKQOHBZBJK-GXTWGEPZSA-N 2 3 268.405 -0.227 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000580942428 355001878 /nfs/dbraw/zinc/00/18/78/355001878.db2.gz WHCOYBKNMZCVOP-ZDUSSCGKSA-N 2 3 285.436 -0.127 20 0 CBADHP C[C@H]([NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000641412965 357702017 /nfs/dbraw/zinc/70/20/17/357702017.db2.gz CQFDWPOTILWHFZ-NSHDSACASA-N 2 3 259.398 -0.532 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662242022 419560014 /nfs/dbraw/zinc/56/00/14/419560014.db2.gz AQRATRKZHQWSBT-CHWSQXEVSA-N 2 3 296.415 -0.706 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662242022 419560018 /nfs/dbraw/zinc/56/00/18/419560018.db2.gz AQRATRKZHQWSBT-CHWSQXEVSA-N 2 3 296.415 -0.706 20 0 CBADHP CC[NH2+]CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000582894851 329282260 /nfs/dbraw/zinc/28/22/60/329282260.db2.gz UKOTXCUSIIVQIL-UHFFFAOYSA-N 2 3 273.425 -0.269 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866708743 583928034 /nfs/dbraw/zinc/92/80/34/583928034.db2.gz OIRKTIDWMJFSFS-MELADBBJSA-N 2 3 294.399 -0.147 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000866708743 583928035 /nfs/dbraw/zinc/92/80/35/583928035.db2.gz OIRKTIDWMJFSFS-MELADBBJSA-N 2 3 294.399 -0.147 20 0 CBADHP C[NH2+]CCOCCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770830 584898325 /nfs/dbraw/zinc/89/83/25/584898325.db2.gz ZDFLBTPQJDSCNK-KBPBESRZSA-N 2 3 271.405 -0.077 20 0 CBADHP CC[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705913354 656187392 /nfs/dbraw/zinc/18/73/92/656187392.db2.gz RQBGBQGMZLJVRL-UPJWGTAASA-N 2 3 270.421 -0.079 20 0 CBADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC000923431322 658277904 /nfs/dbraw/zinc/27/79/04/658277904.db2.gz OMUOJYJMVWTUSQ-SLZITWOASA-N 2 3 294.443 -0.262 20 0 CBADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515962 658312730 /nfs/dbraw/zinc/31/27/30/658312730.db2.gz PBVJGFGIIXVVGZ-XQQFMLRXSA-N 2 3 251.374 -0.094 20 0 CBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)C[C@H]1CNCCO1 ZINC001157715213 815455971 /nfs/dbraw/zinc/45/59/71/815455971.db2.gz CKOKKJCPYZUIKB-NEPJUHHUSA-N 2 3 272.393 -0.850 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161624 815506968 /nfs/dbraw/zinc/50/69/68/815506968.db2.gz WKNCKPKWWJVDSJ-YPMHNXCESA-N 2 3 254.378 -0.203 20 0 CBADHP C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158628856 815540727 /nfs/dbraw/zinc/54/07/27/815540727.db2.gz ANTYSBKHICUDDA-OUCADQQQSA-N 2 3 297.447 -0.712 20 0 CBADHP N[C@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001160915907 815688506 /nfs/dbraw/zinc/68/85/06/815688506.db2.gz RDNXNECDBDTPKC-LBPRGKRZSA-N 2 3 290.371 -0.892 20 0 CBADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001161083188 815711881 /nfs/dbraw/zinc/71/18/81/815711881.db2.gz RCKZHNCCSYYEPG-GRYCIOLGSA-N 2 3 254.378 -0.395 20 0 CBADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001161175429 815724446 /nfs/dbraw/zinc/72/44/46/815724446.db2.gz LWVVJMTWMXTEGI-HZSPNIEDSA-N 2 3 292.427 -0.404 20 0 CBADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001161175429 815724451 /nfs/dbraw/zinc/72/44/51/815724451.db2.gz LWVVJMTWMXTEGI-HZSPNIEDSA-N 2 3 292.427 -0.404 20 0 CBADHP [NH3+]C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161239845 815733483 /nfs/dbraw/zinc/73/34/83/815733483.db2.gz SGJBCPDVYXFRFN-RAIGVLPGSA-N 2 3 270.352 -0.915 20 0 CBADHP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC12COC2 ZINC001161511114 815766610 /nfs/dbraw/zinc/76/66/10/815766610.db2.gz WQLMZZCSZAFQRC-NWDGAFQWSA-N 2 3 294.399 -0.953 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161530285 815768456 /nfs/dbraw/zinc/76/84/56/815768456.db2.gz UOSLLJBOZYXIKA-WOPDTQHZSA-N 2 3 266.389 -0.191 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161530285 815768463 /nfs/dbraw/zinc/76/84/63/815768463.db2.gz UOSLLJBOZYXIKA-WOPDTQHZSA-N 2 3 266.389 -0.191 20 0 CBADHP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219635566 824867844 /nfs/dbraw/zinc/86/78/44/824867844.db2.gz MKVALRYPFVIHNJ-MPPDQPJWSA-N 2 3 270.352 -0.998 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219646608 824873407 /nfs/dbraw/zinc/87/34/07/824873407.db2.gz VXQNARYQZWKPOL-TUAOUCFPSA-N 2 3 256.394 -0.196 20 0 CBADHP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219651678 824875392 /nfs/dbraw/zinc/87/53/92/824875392.db2.gz XKONCHSHMXAEJK-VWYCJHECSA-N 2 3 274.434 -0.633 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736981 824887678 /nfs/dbraw/zinc/88/76/78/824887678.db2.gz LVRJJQQRYZFLEP-OLZOCXBDSA-N 2 3 298.431 -0.460 20 0 CBADHP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219768714 824892418 /nfs/dbraw/zinc/89/24/18/824892418.db2.gz PLQUFNWIJWCNEO-ZWNOBZJWSA-N 2 3 270.352 -0.997 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773306 824893162 /nfs/dbraw/zinc/89/31/62/824893162.db2.gz PZLRZRWQPZYRPL-LLVKDONJSA-N 2 3 254.378 -0.299 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[NH2+]CCO ZINC001219919014 824915156 /nfs/dbraw/zinc/91/51/56/824915156.db2.gz VRBXCXYXDALBJG-LBPRGKRZSA-N 2 3 274.409 -0.820 20 0 CBADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219980497 824929744 /nfs/dbraw/zinc/92/97/44/824929744.db2.gz JIFRXSCYTJWWFM-NEPJUHHUSA-N 2 3 288.461 -0.146 20 0 CBADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001219980497 824929746 /nfs/dbraw/zinc/92/97/46/824929746.db2.gz JIFRXSCYTJWWFM-NEPJUHHUSA-N 2 3 288.461 -0.146 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020321 824936275 /nfs/dbraw/zinc/93/62/75/824936275.db2.gz DYVSCSNMZLIEQM-LBPRGKRZSA-N 2 3 294.403 -0.043 20 0 CBADHP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220161251 824974184 /nfs/dbraw/zinc/97/41/84/824974184.db2.gz AXNYQMBTFLMWBC-VNHYZAJKSA-N 2 3 292.427 -0.166 20 0 CBADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220252264 824996923 /nfs/dbraw/zinc/99/69/23/824996923.db2.gz UDIBIIWVQKRIQO-UMVBOHGHSA-N 2 3 280.416 -0.214 20 0 CBADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220252264 824996926 /nfs/dbraw/zinc/99/69/26/824996926.db2.gz UDIBIIWVQKRIQO-UMVBOHGHSA-N 2 3 280.416 -0.214 20 0 CBADHP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)c1cccnc1 ZINC001220261281 825000187 /nfs/dbraw/zinc/00/01/87/825000187.db2.gz WWHXTLRNSQMDKM-LBPRGKRZSA-N 2 3 275.356 -0.818 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282191 825005852 /nfs/dbraw/zinc/00/58/52/825005852.db2.gz IENXVBXBDBAEDS-RYUDHWBXSA-N 2 3 256.394 -0.040 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315452 825013769 /nfs/dbraw/zinc/01/37/69/825013769.db2.gz CQLIGLYQUYVUMC-MBNYWOFBSA-N 2 3 284.404 -0.530 20 0 CBADHP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCCC1 ZINC001220494776 825050016 /nfs/dbraw/zinc/05/00/16/825050016.db2.gz RXJAUAZAIPQRJW-BXUZGUMPSA-N 2 3 266.389 -0.427 20 0 CBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680870 825084845 /nfs/dbraw/zinc/08/48/45/825084845.db2.gz ULXLKEDIZOIKJX-QCNOEVLYSA-N 2 3 286.445 -0.205 20 0 CBADHP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3C[NH2+]CC34CNC4)(C1)CCC2 ZINC001220776980 825100658 /nfs/dbraw/zinc/10/06/58/825100658.db2.gz BCDRYVNZWVMGKB-BYCMXARLSA-N 2 3 278.400 -0.284 20 0 CBADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220857805 825113515 /nfs/dbraw/zinc/11/35/15/825113515.db2.gz SJLRHCFRXVJEPW-UHIISALHSA-N 2 3 268.405 -0.325 20 0 CBADHP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220884461 825119760 /nfs/dbraw/zinc/11/97/60/825119760.db2.gz CPZPQBLHKFWUCA-VXGBXAGGSA-N 2 3 266.389 -0.271 20 0 CBADHP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220884461 825119764 /nfs/dbraw/zinc/11/97/64/825119764.db2.gz CPZPQBLHKFWUCA-VXGBXAGGSA-N 2 3 266.389 -0.271 20 0 CBADHP COCCC1([NH3+])CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001221133930 825147137 /nfs/dbraw/zinc/14/71/37/825147137.db2.gz CHRLLPJEEZQDFZ-NSHDSACASA-N 2 3 272.393 -0.591 20 0 CBADHP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221410812 825186011 /nfs/dbraw/zinc/18/60/11/825186011.db2.gz RLPSOCMVTMUEMH-STQMWFEESA-N 2 3 278.400 -0.700 20 0 CBADHP [NH3+]CCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363926 825600333 /nfs/dbraw/zinc/60/03/33/825600333.db2.gz SNKDBDNJKQLANK-JTQLQIEISA-N 2 3 271.434 -0.717 20 0 CBADHP O[C@@]1(CNC[C@H]2CCC3(CCNCC3)[NH2+]2)CCC[NH2+]C1 ZINC001245988256 825618268 /nfs/dbraw/zinc/61/82/68/825618268.db2.gz VAQJHOXKCNYTSE-HIFRSBDPSA-N 2 3 282.432 -0.435 20 0 CBADHP [NH3+]C[C@@H]1CCCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246032072 825627817 /nfs/dbraw/zinc/62/78/17/825627817.db2.gz JAGXBSJJFLEVTD-KBPBESRZSA-N 2 3 285.432 -0.087 20 0 CBADHP C([NH2+]C1CCNCC1)[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246141051 825640185 /nfs/dbraw/zinc/64/01/85/825640185.db2.gz CGMBBHJJVOLHQO-TZMCWYRMSA-N 2 3 269.389 -0.277 20 0 CBADHP NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246414490 825671410 /nfs/dbraw/zinc/67/14/10/825671410.db2.gz IDRAAQLYPYZYAL-QCNOEVLYSA-N 2 3 254.378 -0.443 20 0 CBADHP COCCC1([NH3+])CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246424689 825672666 /nfs/dbraw/zinc/67/26/66/825672666.db2.gz SEMBSYNLZXAIDH-CYBMUJFWSA-N 2 3 282.432 -0.090 20 0 CBADHP C[NH+](C)CCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246532072 825681783 /nfs/dbraw/zinc/68/17/83/825681783.db2.gz WDHNUKIVHFWOAZ-AWEZNQCLSA-N 2 3 281.448 -0.740 20 0 CBADHP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001326236279 884953701 /nfs/dbraw/zinc/95/37/01/884953701.db2.gz GJGBGRCBUVFDQW-TUAOUCFPSA-N 2 3 256.394 -0.101 20 0 CBADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC001335266912 888476652 /nfs/dbraw/zinc/47/66/52/888476652.db2.gz ICJSZBIKZWBXCU-YUTCNCBUSA-N 2 3 270.421 -0.249 20 0 CBADHP CN1CC[NH+](C2CCN(CCOCC[NH3+])CC2)CC1 ZINC001348563500 890651182 /nfs/dbraw/zinc/65/11/82/890651182.db2.gz RQEUWUWQZIAUSB-UHFFFAOYSA-N 2 3 270.421 -0.327 20 0 CBADHP [NH3+]C[C@@]12CCC[C@@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC001549117099 923558579 /nfs/dbraw/zinc/55/85/79/923558579.db2.gz PZQILGWXMNKDEG-ZIAGYGMSSA-N 2 3 252.406 -0.048 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000564969459 354723023 /nfs/dbraw/zinc/72/30/23/354723023.db2.gz XUSUXRPVRRQZHQ-CHWSQXEVSA-N 2 3 268.405 -0.227 20 0 CBADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647828432 419664522 /nfs/dbraw/zinc/66/45/22/419664522.db2.gz CZDSGDZPPPCJTF-VXGBXAGGSA-N 2 3 254.378 -0.617 20 0 CBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000647992657 419707690 /nfs/dbraw/zinc/70/76/90/419707690.db2.gz XMPZNMIZBFATDH-GJZGRUSLSA-N 2 3 293.411 -0.297 20 0 CBADHP CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563605904 328076555 /nfs/dbraw/zinc/07/65/55/328076555.db2.gz ZFLFPIREISZXKJ-LBPRGKRZSA-N 2 3 273.425 -0.142 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000563875487 328541077 /nfs/dbraw/zinc/54/10/77/328541077.db2.gz SVKYFLGICJATOM-ZDUSSCGKSA-N 2 3 285.436 -0.142 20 0 CBADHP [NH3+]CCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584113637 327040818 /nfs/dbraw/zinc/04/08/18/327040818.db2.gz ZUWNTYOBFFXOQO-QWHCGFSZSA-N 2 3 268.405 -0.085 20 0 CBADHP C[C@H](C[NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569698483 327537042 /nfs/dbraw/zinc/53/70/42/327537042.db2.gz CTGRSEIPUDPFNF-GFCCVEGCSA-N 2 3 273.425 -0.284 20 0 CBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[NH3+] ZINC000583133857 329319193 /nfs/dbraw/zinc/31/91/93/329319193.db2.gz UWSFGXRWBCAERK-UHFFFAOYSA-N 2 3 259.398 -0.530 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866708742 583928038 /nfs/dbraw/zinc/92/80/38/583928038.db2.gz OIRKTIDWMJFSFS-HZSPNIEDSA-N 2 3 294.399 -0.147 20 0 CBADHP O=C1O[C@@H]2CNC[C@@H]2N1[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000866708742 583928039 /nfs/dbraw/zinc/92/80/39/583928039.db2.gz OIRKTIDWMJFSFS-HZSPNIEDSA-N 2 3 294.399 -0.147 20 0 CBADHP C[NH2+]C[C@](C)(O)CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453294 658287679 /nfs/dbraw/zinc/28/76/79/658287679.db2.gz WWZYUXGSZJDCRV-STQMWFEESA-N 2 3 271.405 -0.213 20 0 CBADHP CN(C[C@H]1CNCCO1)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157720337 815456755 /nfs/dbraw/zinc/45/67/55/815456755.db2.gz GXXXHNLJWLKQJI-NWDGAFQWSA-N 2 3 272.393 -0.720 20 0 CBADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157841868 815470399 /nfs/dbraw/zinc/47/03/99/815470399.db2.gz IJILCMMMDNDHJU-GRYCIOLGSA-N 2 3 266.389 -0.619 20 0 CBADHP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001157844638 815470836 /nfs/dbraw/zinc/47/08/36/815470836.db2.gz WQGIWQXDKOCOKL-DCAQKATOSA-N 2 3 274.434 -0.409 20 0 CBADHP O=C(N1CCC[C@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158424348 815527897 /nfs/dbraw/zinc/52/78/97/815527897.db2.gz RPHOUZFZTKXFEZ-NRWUCQMLSA-N 2 3 264.373 -0.852 20 0 CBADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]2CF)CC1 ZINC001158569090 815538414 /nfs/dbraw/zinc/53/84/14/815538414.db2.gz VSUOJLNQOJNJCR-IJLUTSLNSA-N 2 3 296.390 -0.669 20 0 CBADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160453619 815624090 /nfs/dbraw/zinc/62/40/90/815624090.db2.gz BESFVBZBGIJPGD-GDBMZVCRSA-N 2 3 294.443 -0.014 20 0 CBADHP CC[NH+]1CCC(N(C)C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160536889 815634447 /nfs/dbraw/zinc/63/44/47/815634447.db2.gz DJCSJVAQKLITBU-LBPRGKRZSA-N 2 3 288.461 -0.052 20 0 CBADHP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160688977 815656952 /nfs/dbraw/zinc/65/69/52/815656952.db2.gz RYHVKPPVQFXFPI-GFCCVEGCSA-N 2 3 266.389 -0.650 20 0 CBADHP C[N@H+]1C[C@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704837 815662103 /nfs/dbraw/zinc/66/21/03/815662103.db2.gz ONIQQTKHFFZORO-FRRDWIJNSA-N 2 3 266.389 -0.667 20 0 CBADHP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160704837 815662107 /nfs/dbraw/zinc/66/21/07/815662107.db2.gz ONIQQTKHFFZORO-FRRDWIJNSA-N 2 3 266.389 -0.667 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001667 815694186 /nfs/dbraw/zinc/69/41/86/815694186.db2.gz ZEXHSDWAAXJFPH-NWDGAFQWSA-N 2 3 284.404 -0.842 20 0 CBADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161050475 815705252 /nfs/dbraw/zinc/70/52/52/815705252.db2.gz NPCNJUKMMVWFNY-OLZOCXBDSA-N 2 3 280.416 -0.264 20 0 CBADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161050475 815705254 /nfs/dbraw/zinc/70/52/54/815705254.db2.gz NPCNJUKMMVWFNY-OLZOCXBDSA-N 2 3 280.416 -0.264 20 0 CBADHP CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062507 815705405 /nfs/dbraw/zinc/70/54/05/815705405.db2.gz KPOUEDIPFZIMDJ-GARJFASQSA-N 2 3 274.434 -0.266 20 0 CBADHP CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058547 815706324 /nfs/dbraw/zinc/70/63/24/815706324.db2.gz XSBSOUMQKUDRGX-SRVKXCTJSA-N 2 3 266.389 -0.476 20 0 CBADHP CC(C)N(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161353788 815747616 /nfs/dbraw/zinc/74/76/16/815747616.db2.gz ZSRPOISLACLHPQ-QWHCGFSZSA-N 2 3 268.405 -0.088 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378901 815749110 /nfs/dbraw/zinc/74/91/10/815749110.db2.gz NXTAYUSHXCVZMF-STQMWFEESA-N 2 3 283.420 -0.923 20 0 CBADHP CN(C)CCN(C(=O)C12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161444882 815756132 /nfs/dbraw/zinc/75/61/32/815756132.db2.gz LQVZARBRKJMBSD-OWYJLGKBSA-N 2 3 280.416 -0.119 20 0 CBADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161530376 815768541 /nfs/dbraw/zinc/76/85/41/815768541.db2.gz XVKJFTGPNSLPTR-HNCHTBHHSA-N 2 3 252.362 -0.866 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532372 824586093 /nfs/dbraw/zinc/58/60/93/824586093.db2.gz FXOWYYJEOGTYBF-YUMQZZPRSA-N 2 3 283.401 -0.036 20 0 CBADHP N[C@@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)C1CC[NH2+]CC1 ZINC001218640575 824612679 /nfs/dbraw/zinc/61/26/79/824612679.db2.gz KARDXJOPIAQFCT-GFCCVEGCSA-N 2 3 278.360 -0.707 20 0 CBADHP N[C@H](C(=O)Nc1cncc(C[NH3+])c1)C1CC[NH2+]CC1 ZINC001218705525 824625755 /nfs/dbraw/zinc/62/57/55/824625755.db2.gz SLXMLODYFFJUQM-LBPRGKRZSA-N 2 3 263.345 -0.194 20 0 CBADHP CC[NH+](CC)CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219555806 824728416 /nfs/dbraw/zinc/72/84/16/824728416.db2.gz SRDFXWOJXMCVCG-LLVKDONJSA-N 2 3 254.378 -0.747 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635545 824868580 /nfs/dbraw/zinc/86/85/80/824868580.db2.gz LHXIMJSMIKPYAA-SRVKXCTJSA-N 2 3 274.384 -0.138 20 0 CBADHP C[C@@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[NH2+]1 ZINC001219684757 824878790 /nfs/dbraw/zinc/87/87/90/824878790.db2.gz RKYMSQNZYQESMI-HKUMRIAESA-N 2 3 266.389 -0.700 20 0 CBADHP N[C@H](CCC[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741495 824888434 /nfs/dbraw/zinc/88/84/34/824888434.db2.gz MBBJOENPRBWKPQ-NWDGAFQWSA-N 2 3 284.404 -0.530 20 0 CBADHP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219768073 824891487 /nfs/dbraw/zinc/89/14/87/824891487.db2.gz JSJNMSSGPBTYJZ-MRVWCRGKSA-N 2 3 284.379 -0.607 20 0 CBADHP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219772814 824892362 /nfs/dbraw/zinc/89/23/62/824892362.db2.gz ASCVBCILQTXNHV-LBPRGKRZSA-N 2 3 278.400 -0.556 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020750 824936945 /nfs/dbraw/zinc/93/69/45/824936945.db2.gz UOIUYPBJJBFNTC-NSHDSACASA-N 2 3 280.376 -0.479 20 0 CBADHP C[NH2+]CCCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220077664 824951252 /nfs/dbraw/zinc/95/12/52/824951252.db2.gz SAXPCBWXYVGHCK-DGCLKSJQSA-N 2 3 254.378 -0.699 20 0 CBADHP N=C(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)SCC[NH3+] ZINC001220106247 824955698 /nfs/dbraw/zinc/95/56/98/824955698.db2.gz GKUMZKGILDBLON-SECBINFHSA-N 2 3 285.417 -0.397 20 0 CBADHP N=C(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)SCC[NH3+] ZINC001220106247 824955706 /nfs/dbraw/zinc/95/57/06/824955706.db2.gz GKUMZKGILDBLON-SECBINFHSA-N 2 3 285.417 -0.397 20 0 CBADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220252022 824996308 /nfs/dbraw/zinc/99/63/08/824996308.db2.gz LUJJLOLOERRUMP-NEPJUHHUSA-N 2 3 266.389 -0.604 20 0 CBADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220252022 824996311 /nfs/dbraw/zinc/99/63/11/824996311.db2.gz LUJJLOLOERRUMP-NEPJUHHUSA-N 2 3 266.389 -0.604 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315451 825012076 /nfs/dbraw/zinc/01/20/76/825012076.db2.gz CQLIGLYQUYVUMC-DYEKYZERSA-N 2 3 284.404 -0.530 20 0 CBADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316174 825014286 /nfs/dbraw/zinc/01/42/86/825014286.db2.gz MWERMXUBNRJTQK-NTZNESFSSA-N 2 3 270.377 -0.920 20 0 CBADHP N[C@H](C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001220319147 825014379 /nfs/dbraw/zinc/01/43/79/825014379.db2.gz DIPINENMSIWVRQ-KCQAQPDRSA-N 2 3 296.415 -0.659 20 0 CBADHP O=C(N[C@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220884407 825119974 /nfs/dbraw/zinc/11/99/74/825119974.db2.gz BMNOGNBSGJTFTN-NTZNESFSSA-N 2 3 252.362 -0.946 20 0 CBADHP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220884458 825120358 /nfs/dbraw/zinc/12/03/58/825120358.db2.gz CPZPQBLHKFWUCA-NEPJUHHUSA-N 2 3 266.389 -0.271 20 0 CBADHP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220884458 825120362 /nfs/dbraw/zinc/12/03/62/825120362.db2.gz CPZPQBLHKFWUCA-NEPJUHHUSA-N 2 3 266.389 -0.271 20 0 CBADHP N[C@@H](CCCC[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930316 825123773 /nfs/dbraw/zinc/12/37/73/825123773.db2.gz NRATUOTZBFJHGJ-OBJOEFQTSA-N 2 3 298.431 -0.060 20 0 CBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950869 825129318 /nfs/dbraw/zinc/12/93/18/825129318.db2.gz JFYRUIFICHKIDD-LBPRGKRZSA-N 2 3 294.403 -0.043 20 0 CBADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367540 825176466 /nfs/dbraw/zinc/17/64/66/825176466.db2.gz QPIRUTWDYHWPOY-GRYCIOLGSA-N 2 3 274.384 -0.138 20 0 CBADHP C(C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)[C@H]1CNCCO1 ZINC001222086243 825199413 /nfs/dbraw/zinc/19/94/13/825199413.db2.gz USQNBQKHNMLMIJ-ZDUSSCGKSA-N 2 3 268.405 -0.608 20 0 CBADHP C(C[N@H+]1CCNC2(CC[NH2+]CC2)C1)[C@H]1CNCCO1 ZINC001222086243 825199420 /nfs/dbraw/zinc/19/94/20/825199420.db2.gz USQNBQKHNMLMIJ-ZDUSSCGKSA-N 2 3 268.405 -0.608 20 0 CBADHP C[C@H]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CN1 ZINC001245970904 825616389 /nfs/dbraw/zinc/61/63/89/825616389.db2.gz CKMCJRJETYGJGS-RWMBFGLXSA-N 2 3 271.405 -0.418 20 0 CBADHP C[C@@H]1C[NH2+]C[C@@H](CNC[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245989288 825617486 /nfs/dbraw/zinc/61/74/86/825617486.db2.gz FQTJFTUDRYRXDA-IHRRRGAJSA-N 2 3 285.432 -0.313 20 0 CBADHP O[C@@]1(CNC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]C1 ZINC001245983410 825617693 /nfs/dbraw/zinc/61/76/93/825617693.db2.gz GGYQZAGRYXJEBQ-OCCSQVGLSA-N 2 3 268.405 -0.825 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@H+](C[C@]2(O)CCCNC2)CC1 ZINC001246021021 825623956 /nfs/dbraw/zinc/62/39/56/825623956.db2.gz MRXMFBQDJJETKC-STQMWFEESA-N 2 3 257.378 -0.723 20 0 CBADHP [NH3+]C[C@]1(O)CCC[N@@H+](C[C@]2(O)CCCNC2)CC1 ZINC001246021021 825623980 /nfs/dbraw/zinc/62/39/80/825623980.db2.gz MRXMFBQDJJETKC-STQMWFEESA-N 2 3 257.378 -0.723 20 0 CBADHP C([NH2+]C1CCNCC1)[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246141050 825640054 /nfs/dbraw/zinc/64/00/54/825640054.db2.gz CGMBBHJJVOLHQO-OCCSQVGLSA-N 2 3 269.389 -0.277 20 0 CBADHP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246143313 825640614 /nfs/dbraw/zinc/64/06/14/825640614.db2.gz HTQLTEQAIBDCJP-ZNMIVQPWSA-N 2 3 294.443 -0.171 20 0 CBADHP CC(C)N1CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236116 825654133 /nfs/dbraw/zinc/65/41/33/825654133.db2.gz JDQBNGASSRDONV-HNNXBMFYSA-N 2 3 295.475 -0.304 20 0 CBADHP [NH3+][C@@H](CO)Cc1cncn1[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246251870 825656525 /nfs/dbraw/zinc/65/65/25/825656525.db2.gz UIOJKBRVYUTPPF-GHMZBOCLSA-N 2 3 265.361 -0.988 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246540882 825682273 /nfs/dbraw/zinc/68/22/73/825682273.db2.gz FTBUVZRAOZVZSQ-CHWSQXEVSA-N 2 3 269.389 -0.317 20 0 CBADHP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246540882 825682283 /nfs/dbraw/zinc/68/22/83/825682283.db2.gz FTBUVZRAOZVZSQ-CHWSQXEVSA-N 2 3 269.389 -0.317 20 0 CBADHP C[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1CN ZINC001246551956 825684889 /nfs/dbraw/zinc/68/48/89/825684889.db2.gz MVBAHGDNOZVYEP-FRRDWIJNSA-N 2 3 252.406 -0.003 20 0 CBADHP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1CN ZINC001246551956 825684893 /nfs/dbraw/zinc/68/48/93/825684893.db2.gz MVBAHGDNOZVYEP-FRRDWIJNSA-N 2 3 252.406 -0.003 20 0 CBADHP C1[NH2+]CC12CC[C@H](N1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641467 825700660 /nfs/dbraw/zinc/70/06/60/825700660.db2.gz IIWRWDBWRBYZEY-GXTWGEPZSA-N 2 3 250.390 -0.234 20 0 CBADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001326187847 884937846 /nfs/dbraw/zinc/93/78/46/884937846.db2.gz KYDFCTIEGQXYAT-ZDUSSCGKSA-N 2 3 268.405 -0.146 20 0 CBADHP C[NH2+]CCOCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001351678550 891170053 /nfs/dbraw/zinc/17/00/53/891170053.db2.gz CUMKSAIALZHUGG-BFHYXJOUSA-N 2 3 271.405 -0.031 20 0 CBADHP C[NH+](C)C[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H]1C[NH+](C)C ZINC001413900844 905264750 /nfs/dbraw/zinc/26/47/50/905264750.db2.gz UIMZOQCHSFGMGP-NXEZZACHSA-N 2 3 294.407 -0.788 20 0 CBADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000564969462 354722637 /nfs/dbraw/zinc/72/26/37/354722637.db2.gz XUSUXRPVRRQZHQ-OLZOCXBDSA-N 2 3 268.405 -0.227 20 0 CBADHP CC(CN1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000605575570 355735393 /nfs/dbraw/zinc/73/53/93/355735393.db2.gz HNROONTYVKQOMT-VGWMRTNUSA-N 2 3 278.444 -0.075 20 0 CBADHP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000629653791 356788800 /nfs/dbraw/zinc/78/88/00/356788800.db2.gz NRPHYCDRGUJGSO-ZDUSSCGKSA-N 2 3 286.420 -0.649 20 0 CBADHP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000629653791 356788803 /nfs/dbraw/zinc/78/88/03/356788803.db2.gz NRPHYCDRGUJGSO-ZDUSSCGKSA-N 2 3 286.420 -0.649 20 0 CBADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)OCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000674232086 544898889 /nfs/dbraw/zinc/89/88/89/544898889.db2.gz OLSGZWARNHIAMV-YHUYYLMFSA-N 2 3 294.443 -0.695 20 0 CBADHP C[C@@H](CC[NH3+])NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569204958 334861072 /nfs/dbraw/zinc/86/10/72/334861072.db2.gz ZYGNZPUSIOWUIR-LBPRGKRZSA-N 2 3 273.425 -0.142 20 0 CBADHP CN(CCOCC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769922 584898310 /nfs/dbraw/zinc/89/83/10/584898310.db2.gz RLPIBRBRIZVEDV-STQMWFEESA-N 2 3 257.378 -0.338 20 0 CBADHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000903968043 584905138 /nfs/dbraw/zinc/90/51/38/584905138.db2.gz QFIOCNCIDLTYBD-UPJWGTAASA-N 2 3 268.405 -0.371 20 0 CBADHP c1cc(N2CC[NH2+]CC2)oc1CNCCN1CC[NH2+]CC1 ZINC000904354475 656325436 /nfs/dbraw/zinc/32/54/36/656325436.db2.gz ZRIVHSXDYGHHBU-UHFFFAOYSA-N 2 3 293.415 -0.316 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420453 656326605 /nfs/dbraw/zinc/32/66/05/656326605.db2.gz OZARZRXPDXTKMA-HZSPNIEDSA-N 2 3 280.416 -0.275 20 0 CBADHP NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420453 656326610 /nfs/dbraw/zinc/32/66/10/656326610.db2.gz OZARZRXPDXTKMA-HZSPNIEDSA-N 2 3 280.416 -0.275 20 0 CBADHP CN(CCN1CC[NH2+]CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923288133 658194256 /nfs/dbraw/zinc/19/42/56/658194256.db2.gz XQKFOGXHUNHPNI-ZDUSSCGKSA-N 2 3 268.405 -0.798 20 0 CBADHP c1cc(N2CC[NH2+]CC2)cc(N[C@H]2C[NH2+]CCOC2)n1 ZINC000925725459 658869065 /nfs/dbraw/zinc/86/90/65/658869065.db2.gz LAQOUVUKRWKQEA-LBPRGKRZSA-N 2 3 277.372 -0.109 20 0 CBADHP