smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CCCC[NH3+])ccc12 ZINC000098092096 193784396 /nfs/dbraw/zinc/78/43/96/193784396.db2.gz ZLBMFVYCTXDWPT-CYBMUJFWSA-N 2 0 303.362 1.496 40 0 DDABRP C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H]([NH2+]C2CCCC2)[C@H]1O ZINC000514288818 257216205 /nfs/dbraw/zinc/21/62/05/257216205.db2.gz FMWHOSLLOOJJCV-GBESFXJTSA-N 2 0 318.461 1.821 40 0 biogenic,in-vitro DDABRP C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000096189627 407246863 /nfs/dbraw/zinc/24/68/63/407246863.db2.gz IMWJLHMAWLSAMD-OAHLLOKOSA-N 2 0 315.417 1.650 40 0 DDABRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)o1 ZINC000096201645 407248955 /nfs/dbraw/zinc/24/89/55/407248955.db2.gz KMWUXLOEVTWSOW-RDTXWAMCSA-N 2 0 319.449 1.820 40 0 DDABRP O=C(CC[NH+]1CCCCCC1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257239525 407512903 /nfs/dbraw/zinc/51/29/03/407512903.db2.gz HPSXSBZEFNXPPL-GOSISDBHSA-N 2 0 323.481 1.312 40 0 DDABRP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](CC1CC1)C2 ZINC000096060875 407231909 /nfs/dbraw/zinc/23/19/09/407231909.db2.gz PBCYHRRBGBOFSI-AWEZNQCLSA-N 2 0 307.442 1.185 40 0 DDABRP C[NH+](C)CCCNc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000329065101 410081841 /nfs/dbraw/zinc/08/18/41/410081841.db2.gz XPNOXNDQJVQEIJ-UHFFFAOYSA-N 2 0 315.421 1.767 40 0 DDABRP COCC[N@@H+]1CC[C@H](C(=O)N(C)CC[NH+](C)C2CCCC2)C1 ZINC000952991111 721533538 /nfs/dbraw/zinc/53/35/38/721533538.db2.gz MKFFQHKKUWDMNY-HNNXBMFYSA-N 2 0 311.470 1.288 40 0 DDABRP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051924 407228039 /nfs/dbraw/zinc/22/80/39/407228039.db2.gz AHMCWAIJFFOKDU-CVEARBPZSA-N 2 0 310.463 1.917 40 0 DDABRP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051925 407228530 /nfs/dbraw/zinc/22/85/30/407228530.db2.gz AHMCWAIJFFOKDU-JKSUJKDBSA-N 2 0 310.463 1.917 40 0 DDABRP C[NH+](C)CCOCc1cncc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000096189352 407246754 /nfs/dbraw/zinc/24/67/54/407246754.db2.gz GLPNPEIQXWGJRC-UHFFFAOYSA-N 2 0 319.449 1.697 40 0 DDABRP Cn1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cn1 ZINC000096100552 407237024 /nfs/dbraw/zinc/23/70/24/407237024.db2.gz KYZPDFYLVCNCSM-UHFFFAOYSA-N 2 0 314.437 1.271 40 0 DDABRP O=C1CC[C@H]2[C@H](CC[N@@H+]2C[C@@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000096186303 407245853 /nfs/dbraw/zinc/24/58/53/407245853.db2.gz YHJWVJBUGLKXFQ-ULQDDVLXSA-N 2 0 321.465 1.184 40 0 DDABRP CC[NH+](CC)Cc1cnc2n1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096196835 407246474 /nfs/dbraw/zinc/24/64/74/407246474.db2.gz VTLZAYQCAMSRSF-HNNXBMFYSA-N 2 0 306.454 1.620 40 0 DDABRP c1ccc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH2+]C3)nc1 ZINC000306125191 534490015 /nfs/dbraw/zinc/49/00/15/534490015.db2.gz CIOMOXDUAKJLAK-WMZOPIPTSA-N 2 0 301.434 1.920 40 0 DDABRP C[C@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000095443133 185366941 /nfs/dbraw/zinc/36/69/41/185366941.db2.gz ILXKADWHYPCQNI-QAOFUZHOSA-N 2 0 310.482 1.728 40 0 DDABRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(C)(C)C[NH+]1CCN(C)CC1 ZINC000072324697 191123562 /nfs/dbraw/zinc/12/35/62/191123562.db2.gz JYFPATKCZICVIM-SJORKVTESA-N 2 0 308.514 1.429 40 0 DDABRP C[NH+](C)CCCNc1[nH][nH+]c(NCCC[NH+](C)C)c2ncnc1-2 ZINC000001692109 406675060 /nfs/dbraw/zinc/67/50/60/406675060.db2.gz PSCDEVJXIRSNQM-UHFFFAOYSA-N 2 0 320.445 1.080 40 0 DDABRP C[C@H]([NH3+])C(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](C)CC2)C1 ZINC000072394791 406882095 /nfs/dbraw/zinc/88/20/95/406882095.db2.gz YCNQXHSTPRIQLA-KBXCAEBGSA-N 2 0 317.433 1.609 40 0 DDABRP [NH3+]CC(=O)N1CCCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079391057 407053866 /nfs/dbraw/zinc/05/38/66/407053866.db2.gz HFDZGYCUFSJDGY-QGZVFWFLSA-N 2 0 301.434 1.991 40 0 DDABRP C[NH+](C)CCOCc1ncn2c1C[N@@H+](C1CCOCC1)CCC2 ZINC000096085054 407235992 /nfs/dbraw/zinc/23/59/92/407235992.db2.gz CITZPXZJXPKLGJ-UHFFFAOYSA-N 2 0 322.453 1.346 40 0 DDABRP C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[NH+]1CCCC1 ZINC000257300350 290289522 /nfs/dbraw/zinc/28/95/22/290289522.db2.gz RTYOEVCLDZIVJH-UIBIWLFHSA-N 2 0 305.466 1.946 40 0 DDABRP O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1CC[NH+]1CCCC1 ZINC000096245052 407254984 /nfs/dbraw/zinc/25/49/84/407254984.db2.gz BMQWVXWNWJYIKP-HOTGVXAUSA-N 2 0 303.406 1.266 40 0 DDABRP [NH3+]CC(=O)N1CCCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079391054 303365453 /nfs/dbraw/zinc/36/54/53/303365453.db2.gz HFDZGYCUFSJDGY-KRWDZBQOSA-N 2 0 301.434 1.991 40 0 DDABRP C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2-n2cnc(C[NH3+])c2)C1 ZINC000257319273 203043233 /nfs/dbraw/zinc/04/32/33/203043233.db2.gz VRPYWDXRJRMEOJ-ZDUSSCGKSA-N 2 0 313.405 1.155 40 0 DDABRP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4c(c3)OCO4)CC[C@@H]2C1 ZINC000096249564 407255619 /nfs/dbraw/zinc/25/56/19/407255619.db2.gz RUDXICLZCGIOTM-CRAIPNDOSA-N 2 0 318.417 1.958 40 0 DDABRP CC[NH+](CC)CC(=O)N(C)Cc1cc([C@H]2CCC[NH2+]C2)nn1C ZINC000019709050 352168565 /nfs/dbraw/zinc/16/85/65/352168565.db2.gz OAUNNSGTYYPORB-AWEZNQCLSA-N 2 0 321.469 1.187 40 0 DDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096056477 193507272 /nfs/dbraw/zinc/50/72/72/193507272.db2.gz TWTAANOBILOVQH-HZPDHXFCSA-N 2 0 302.422 1.209 40 0 DDABRP COc1cccc(NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306143281 533611146 /nfs/dbraw/zinc/61/11/46/533611146.db2.gz XXRCTXYQTHZZQG-HNNXBMFYSA-N 2 0 319.405 1.087 40 0 DDABRP C[C@H]([NH3+])C(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](C)CC2)C1 ZINC000072394789 406881646 /nfs/dbraw/zinc/88/16/46/406881646.db2.gz YCNQXHSTPRIQLA-KSSFIOAISA-N 2 0 317.433 1.609 40 0 DDABRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN([C@@H]3CCOC3)CC[C@@H]21 ZINC000096185641 353914207 /nfs/dbraw/zinc/91/42/07/353914207.db2.gz GVLZGEQQVWRTNN-NCOADZHNSA-N 2 0 319.453 1.240 40 0 DDABRP Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)C[NH+](C)C)C[C@H]3C2)cc1 ZINC000096063661 407232763 /nfs/dbraw/zinc/23/27/63/407232763.db2.gz AGKYILHEMFUUNM-CALCHBBNSA-N 2 0 301.434 1.447 40 0 DDABRP c1ccc(NC[C@@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)nc1 ZINC000248032636 408526523 /nfs/dbraw/zinc/52/65/23/408526523.db2.gz IMHMNGLWDNHAHH-FVQBIDKESA-N 2 0 303.406 1.619 40 0 DDABRP C[NH+](C)CCCNc1nc(NC[C@H]2CCCO2)cc(C2CC2)[nH+]1 ZINC000328970844 410027402 /nfs/dbraw/zinc/02/74/02/410027402.db2.gz DMSOEPQPMZOSSW-CQSZACIVSA-N 2 0 319.453 1.152 40 0 DDABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415647 279391942 /nfs/dbraw/zinc/39/19/42/279391942.db2.gz MKTFKZXKTYBMSP-WMLDXEAASA-N 2 0 301.434 1.989 40 0 DDABRP C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1cc[nH+]cc1 ZINC000019575983 182131229 /nfs/dbraw/zinc/13/12/29/182131229.db2.gz ZILSGYILLUEJIY-BMGDILEWSA-N 2 0 312.417 1.512 40 0 DDABRP CCCC[N@H+](C)C[C@@H]1OC[C@H]([NH2+]C2Cc3ccccc3C2)[C@H]1O ZINC000514289086 257216249 /nfs/dbraw/zinc/21/62/49/257216249.db2.gz NQAOTHYIPJIXGJ-GBESFXJTSA-N 2 0 318.461 1.604 40 0 biogenic,in-vitro DDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccs1 ZINC000096056470 407229734 /nfs/dbraw/zinc/22/97/34/407229734.db2.gz FNFUBCRFPFWZLA-HUUCEWRRSA-N 2 0 307.463 1.875 40 0 DDABRP COC[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CC[NH+](C1CCC1)CC2 ZINC000096206132 407249312 /nfs/dbraw/zinc/24/93/12/407249312.db2.gz KTBIINOFXGHMMU-INIZCTEOSA-N 2 0 323.481 1.430 40 0 DDABRP C[NH+](C)CCN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000299853157 410640558 /nfs/dbraw/zinc/64/05/58/410640558.db2.gz GPXOGPUSWKNCEN-CVEARBPZSA-N 2 0 317.433 1.626 40 0 DDABRP C[NH+](C)CCN1CCO[C@@H]2CC[N@H+](Cc3cccs3)CC[C@@H]21 ZINC000096249258 407256339 /nfs/dbraw/zinc/25/63/39/407256339.db2.gz YGYJZNXSFYERDM-DLBZAZTESA-N 2 0 323.506 1.975 40 0 DDABRP O=C(CC[NH+]1CCCCCC1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257239526 407513156 /nfs/dbraw/zinc/51/31/56/407513156.db2.gz HPSXSBZEFNXPPL-SFHVURJKSA-N 2 0 323.481 1.312 40 0 DDABRP C[C@@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695561 194350464 /nfs/dbraw/zinc/35/04/64/194350464.db2.gz ILXKADWHYPCQNI-HLXXEPFRSA-N 2 0 310.482 1.728 40 0 DDABRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079415625 407054012 /nfs/dbraw/zinc/05/40/12/407054012.db2.gz ZLOPRPKMUOQPSM-YOEHRIQHSA-N 2 0 301.434 1.989 40 0 DDABRP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2CN1CC[NH+]1CCCC1 ZINC000096245060 407254769 /nfs/dbraw/zinc/25/47/69/407254769.db2.gz GZAZWYWEQLMDJF-ROUUACIJSA-N 2 0 313.445 1.673 40 0 DDABRP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051921 407228181 /nfs/dbraw/zinc/22/81/81/407228181.db2.gz AITYZCRPJUQZFC-GOEBONIOSA-N 2 0 310.463 1.917 40 0 DDABRP Oc1ccc(C[NH2+]CCNCC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000019366715 182119257 /nfs/dbraw/zinc/11/92/57/182119257.db2.gz QINQYTBMBZNQJH-UHFFFAOYSA-N 2 0 315.417 1.567 40 0 DDABRP COc1cccc(NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306143282 533611773 /nfs/dbraw/zinc/61/17/73/533611773.db2.gz XXRCTXYQTHZZQG-OAHLLOKOSA-N 2 0 319.405 1.087 40 0 DDABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079415622 407054605 /nfs/dbraw/zinc/05/46/05/407054605.db2.gz ZLOPRPKMUOQPSM-WMLDXEAASA-N 2 0 301.434 1.989 40 0 DDABRP [NH3+]C[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257329685 203052669 /nfs/dbraw/zinc/05/26/69/203052669.db2.gz XLAWIQZQMFRRJN-FHWLQOOXSA-N 2 0 318.461 1.643 40 0 DDABRP O=c1[nH]c(C2CC[NH2+]CC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000019372317 285195748 /nfs/dbraw/zinc/19/57/48/285195748.db2.gz JEQPAUBQWGXAFD-UHFFFAOYSA-N 2 0 324.428 1.795 40 0 DDABRP [NH3+]CCOc1ccc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000257223344 303383714 /nfs/dbraw/zinc/38/37/14/303383714.db2.gz DWXVCGRABFVUQC-DOTOQJQBSA-N 2 0 317.433 1.628 40 0 DDABRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404630 185169764 /nfs/dbraw/zinc/16/97/64/185169764.db2.gz FXGINOAOKXSQDN-IRXDYDNUSA-N 2 0 303.450 1.998 40 0 DDABRP CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C1(C[NH3+])C[NH3+] ZINC000218375222 257130495 /nfs/dbraw/zinc/13/04/95/257130495.db2.gz QQRFFSGSVLZIJO-RYUDHWBXSA-N 2 0 302.827 1.144 40 0 DDABRP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051919 407227724 /nfs/dbraw/zinc/22/77/24/407227724.db2.gz AITYZCRPJUQZFC-HOCLYGCPSA-N 2 0 310.463 1.917 40 0 DDABRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096196643 407246622 /nfs/dbraw/zinc/24/66/22/407246622.db2.gz NTGGRKKTVHACJH-UHFFFAOYSA-N 2 0 315.417 1.604 40 0 DDABRP Cc1cc(C(=O)N(C)CC[NH+](C)C)nc(C2CC[NH+](C)CC2)n1 ZINC000072369344 191138864 /nfs/dbraw/zinc/13/88/64/191138864.db2.gz VKMJYQSTKGIPMZ-UHFFFAOYSA-N 2 0 319.453 1.228 40 0 DDABRP C[C@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695557 194350206 /nfs/dbraw/zinc/35/02/06/194350206.db2.gz ILXKADWHYPCQNI-IAWBDPGVSA-N 2 0 310.482 1.728 40 0 DDABRP Cc1ccc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C(=O)[C@H]3C2)s1 ZINC000096244962 407254880 /nfs/dbraw/zinc/25/48/80/407254880.db2.gz FTVUUDRAGCQNFB-ZFWWWQNUSA-N 2 0 307.463 1.508 40 0 DDABRP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)o1 ZINC000096052281 407228172 /nfs/dbraw/zinc/22/81/72/407228172.db2.gz KTIYUUNGQLRBBI-SJORKVTESA-N 2 0 308.422 1.900 40 0 DDABRP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc12 ZINC000002517186 406690170 /nfs/dbraw/zinc/69/01/70/406690170.db2.gz ZLBMFVYCTXDWPT-ZDUSSCGKSA-N 2 0 303.362 1.496 40 0 in-vitro DDABRP C1OC2(C[C@@H]1N1CCC([NH+]3CCCCC3)CC1)CC[NH2+]CC2 ZINC000019201485 406885099 /nfs/dbraw/zinc/88/50/99/406885099.db2.gz ZREJDHYRNJQOCB-KRWDZBQOSA-N 2 0 307.482 1.848 40 0 DDABRP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000096249720 407256052 /nfs/dbraw/zinc/25/60/52/407256052.db2.gz SQFTZERPTGBNTH-KZNAEPCWSA-N 2 0 317.433 1.393 40 0 DDABRP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051937 407228471 /nfs/dbraw/zinc/22/84/71/407228471.db2.gz MGSOSEMGQBJQTO-WMZOPIPTSA-N 2 0 322.424 1.995 40 0 DDABRP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C)CO3)C2)o1 ZINC000096051934 407228609 /nfs/dbraw/zinc/22/86/09/407228609.db2.gz DYLCPCYQUOSQBJ-NVXWUHKLSA-N 2 0 308.422 1.757 40 0 DDABRP Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306127448 231085108 /nfs/dbraw/zinc/08/51/08/231085108.db2.gz FYWBHXJWXMCKLY-HNNXBMFYSA-N 2 0 303.406 1.386 40 0 DDABRP CN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC000306135607 529998672 /nfs/dbraw/zinc/99/86/72/529998672.db2.gz OVWARDFCQIAIDW-INIZCTEOSA-N 2 0 317.433 1.098 40 0 DDABRP CC[NH+](CC)CC(=O)N(C)Cc1cc([C@@H]2CCC[NH2+]C2)nn1C ZINC000019709049 352169178 /nfs/dbraw/zinc/16/91/78/352169178.db2.gz OAUNNSGTYYPORB-CQSZACIVSA-N 2 0 321.469 1.187 40 0 DDABRP C[NH+](C)CCOCc1cncc2c1CC[N@H+](C[C@H]1CCOC1)C2 ZINC000096189349 407246984 /nfs/dbraw/zinc/24/69/84/407246984.db2.gz HBKKCBIDOQWEND-OAHLLOKOSA-N 2 0 319.449 1.554 40 0 DDABRP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051939 407228509 /nfs/dbraw/zinc/22/85/09/407228509.db2.gz MGSOSEMGQBJQTO-FUHWJXTLSA-N 2 0 322.424 1.995 40 0 DDABRP C[NH+]1CCC(NC(=O)c2ccccc2-n2cc(C[NH3+])cn2)CC1 ZINC000257269575 276888128 /nfs/dbraw/zinc/88/81/28/276888128.db2.gz MQNPSDWHKOWKJG-UHFFFAOYSA-N 2 0 313.405 1.155 40 0 DDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404565 185169620 /nfs/dbraw/zinc/16/96/20/185169620.db2.gz GVLDNPVFNOZPCG-YOEHRIQHSA-N 2 0 301.434 1.989 40 0 DDABRP C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CC[NH2+]C1 ZINC000257325561 203049794 /nfs/dbraw/zinc/04/97/94/203049794.db2.gz WTNFMWDDOQARGY-LLVKDONJSA-N 2 0 318.446 1.665 40 0 DDABRP [NH3+]CC1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035680 257131393 /nfs/dbraw/zinc/13/13/93/257131393.db2.gz BFJXUQYNYILNKN-HOTGVXAUSA-N 2 0 316.426 1.530 40 0 DDABRP [NH3+]CC(=O)N(CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000079404345 185169791 /nfs/dbraw/zinc/16/97/91/185169791.db2.gz UXQGJHYMTRUKIV-UHFFFAOYSA-N 2 0 301.434 1.848 40 0 DDABRP [NH3+]CCn1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2nccnc21 ZINC000019371783 182120035 /nfs/dbraw/zinc/12/00/35/182120035.db2.gz SUTGQTYJEHGUEP-HNNXBMFYSA-N 2 0 322.416 1.775 40 0 DDABRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000306125851 409772701 /nfs/dbraw/zinc/77/27/01/409772701.db2.gz DDXCYFXTBNRQPR-HNNXBMFYSA-N 2 0 315.461 1.863 40 0 DDABRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000306125852 276762075 /nfs/dbraw/zinc/76/20/75/276762075.db2.gz DDXCYFXTBNRQPR-OAHLLOKOSA-N 2 0 315.461 1.863 40 0 DDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404563 185169778 /nfs/dbraw/zinc/16/97/78/185169778.db2.gz GVLDNPVFNOZPCG-WMLDXEAASA-N 2 0 301.434 1.989 40 0 DDABRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(C)(C)C[NH+]1CCN(C)CC1 ZINC000072324695 191123659 /nfs/dbraw/zinc/12/36/59/191123659.db2.gz JYFPATKCZICVIM-IAGOWNOFSA-N 2 0 308.514 1.429 40 0 DDABRP C[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404558 185169418 /nfs/dbraw/zinc/16/94/18/185169418.db2.gz VLUXJUAHIPBKBB-GOEBONIOSA-N 2 0 301.434 1.847 40 0 DDABRP c1nc2c([nH]1)[C@@H](c1ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc1)[NH2+]CC2 ZINC000001730857 285578225 /nfs/dbraw/zinc/57/82/25/285578225.db2.gz YMRZRVBWYWHBST-HZPDHXFCSA-N 2 0 320.400 1.603 40 0 DDABRP CCC[N@@H+]1CCc2nc3n(c(=O)c2C1)[C@H](C[NH+](C)CC)CCC3 ZINC000306144286 409772010 /nfs/dbraw/zinc/77/20/10/409772010.db2.gz ZBHBGFBGGYMNET-AWEZNQCLSA-N 2 0 318.465 1.841 40 0 DDABRP [NH3+]CC(=O)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404338 185169724 /nfs/dbraw/zinc/16/97/24/185169724.db2.gz HXLPPZVJGZMAQA-INIZCTEOSA-N 2 0 301.434 1.848 40 0 DDABRP CSc1nc(O[C@H]2CCC[NH2+]C2)cc(O[C@H]2CCC[NH2+]C2)n1 ZINC000072203280 191076489 /nfs/dbraw/zinc/07/64/89/191076489.db2.gz BKVBAFLLRBYJGB-RYUDHWBXSA-N 2 0 324.450 1.460 40 0 DDABRP C[NH+](C)CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccnc2)O1 ZINC000096186675 407245716 /nfs/dbraw/zinc/24/57/16/407245716.db2.gz DQAVKHZGIOWPRB-SQNIBIBYSA-N 2 0 319.449 1.782 40 0 DDABRP c1nc2c([nH]1)[C@H](c1ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc1)[NH2+]CC2 ZINC000001730854 406677855 /nfs/dbraw/zinc/67/78/55/406677855.db2.gz YMRZRVBWYWHBST-HOTGVXAUSA-N 2 0 320.400 1.603 40 0 DDABRP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096196871 407247017 /nfs/dbraw/zinc/24/70/17/407247017.db2.gz MMPSOXVHPKLLMZ-OAHLLOKOSA-N 2 0 304.438 1.374 40 0 DDABRP C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccn1-c1cc[nH+]cc1 ZINC000019575985 182131008 /nfs/dbraw/zinc/13/10/08/182131008.db2.gz ZILSGYILLUEJIY-JCGIZDLHSA-N 2 0 312.417 1.512 40 0 DDABRP O[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1 ZINC000247959969 341371580 /nfs/dbraw/zinc/37/15/80/341371580.db2.gz PRGUSTUJRDFUNH-ZIAGYGMSSA-N 2 0 314.433 1.987 40 0 DDABRP C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2-n2cnc(C[NH3+])c2)C1 ZINC000257319272 203043165 /nfs/dbraw/zinc/04/31/65/203043165.db2.gz VRPYWDXRJRMEOJ-CYBMUJFWSA-N 2 0 313.405 1.155 40 0 DDABRP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096183646 407244196 /nfs/dbraw/zinc/24/41/96/407244196.db2.gz NYLOFVVGSYTSCO-SOUVJXGZSA-N 2 0 323.462 1.158 40 0 DDABRP C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(C2CC2)[nH+]1 ZINC000328970842 410028437 /nfs/dbraw/zinc/02/84/37/410028437.db2.gz DMSOEPQPMZOSSW-AWEZNQCLSA-N 2 0 319.453 1.152 40 0 DDABRP [NH3+]CC1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000218035763 257131847 /nfs/dbraw/zinc/13/18/47/257131847.db2.gz BFJXUQYNYILNKN-HZPDHXFCSA-N 2 0 316.426 1.530 40 0 DDABRP [NH3+]CCn1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2nccnc21 ZINC000019371781 182119873 /nfs/dbraw/zinc/11/98/73/182119873.db2.gz SUTGQTYJEHGUEP-OAHLLOKOSA-N 2 0 322.416 1.775 40 0 DDABRP Nn1c(CCC[NH+]2CCCC2)nnc1CCC[NH+]1CCCC1 ZINC000225149291 539265957 /nfs/dbraw/zinc/26/59/57/539265957.db2.gz MEXSXKTVHNURQZ-UHFFFAOYSA-N 2 0 306.458 1.049 40 0 DDABRP O[C@H](COCCOCC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000005375545 181235799 /nfs/dbraw/zinc/23/57/99/181235799.db2.gz RVSRIHKYGCDURP-KRWDZBQOSA-N 2 0 314.470 1.352 40 0 DDABRP CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)C1(C[NH3+])C[NH3+] ZINC000218373684 257130461 /nfs/dbraw/zinc/13/04/61/257130461.db2.gz YLZCHGYBXIGPRL-NEPJUHHUSA-N 2 0 302.827 1.144 40 0 DDABRP Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC000306143577 409773619 /nfs/dbraw/zinc/77/36/19/409773619.db2.gz YFWKFUIRISIYMQ-MRXNPFEDSA-N 2 0 317.433 1.064 40 0 DDABRP CN(C)c1cc(C[C@H]2C[NH2+]CC[N@@H+](C3CCCC3)C2)ncn1 ZINC000072355043 191129177 /nfs/dbraw/zinc/12/91/77/191129177.db2.gz YOEOAKQPSJVODK-AWEZNQCLSA-N 2 0 303.454 1.549 40 0 DDABRP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](C1CCOCC1)CC2 ZINC000096196874 407246404 /nfs/dbraw/zinc/24/64/04/407246404.db2.gz BETHVQGSTJSOEA-UHFFFAOYSA-N 2 0 304.438 1.516 40 0 DDABRP [NH3+]C[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257284050 407528902 /nfs/dbraw/zinc/52/89/02/407528902.db2.gz PBBNJGNEXVGBIC-KZNAEPCWSA-N 2 0 304.434 1.519 40 0 DDABRP COc1ncccc1C[N@@H+]1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC000306137809 533257282 /nfs/dbraw/zinc/25/72/82/533257282.db2.gz RHBSKZYEZKBUBK-HZPDHXFCSA-N 2 0 304.438 1.300 40 0 DDABRP [NH3+]Cc1cnn(-c2ccccc2C(=O)NCC[NH+]2CCCC2)c1 ZINC000257261773 407527459 /nfs/dbraw/zinc/52/74/59/407527459.db2.gz LISOIDPKCWMMKJ-UHFFFAOYSA-N 2 0 313.405 1.157 40 0 DDABRP C[NH+](C)CCN1CCC2(CC[NH+](CC3CCOCC3)CC2)C1=O ZINC000096046788 407227367 /nfs/dbraw/zinc/22/73/67/407227367.db2.gz WDBYWXVXWGDVQP-UHFFFAOYSA-N 2 0 323.481 1.289 40 0 DDABRP C[C@H]1C[N@H+](Cc2ccncc2)C[C@@]12CCN(CC[NH+](C)C)C2=O ZINC000096070283 407233655 /nfs/dbraw/zinc/23/36/55/407233655.db2.gz QQLMISMZWRPUIC-YJBOKZPZSA-N 2 0 316.449 1.314 40 0 DDABRP C[NH+](C)CC(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096157421 407241746 /nfs/dbraw/zinc/24/17/46/407241746.db2.gz GBAORBJDBZNSMZ-UHFFFAOYSA-N 2 0 316.449 1.458 40 0 DDABRP [NH3+]CCOc1cccc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000257297801 203024024 /nfs/dbraw/zinc/02/40/24/203024024.db2.gz RIVVCAHCALONOD-DOTOQJQBSA-N 2 0 317.433 1.628 40 0 DDABRP CC1CC[NH+](C[C@@H]2OC[C@H]([NH2+]Cc3ccc(F)cc3)[C@H]2O)CC1 ZINC000514288536 257215952 /nfs/dbraw/zinc/21/59/52/257215952.db2.gz HSCQXIKUNYNSDN-OKZBNKHCSA-N 2 0 322.424 1.776 40 0 biogenic,in-vitro DDABRP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C)CO3)C2)o1 ZINC000107738574 407379270 /nfs/dbraw/zinc/37/92/70/407379270.db2.gz DYLCPCYQUOSQBJ-RDJZCZTQSA-N 2 0 308.422 1.757 40 0 DDABRP O=C(CCCn1ccnc1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000131174171 196146419 /nfs/dbraw/zinc/14/64/19/196146419.db2.gz MQVCRQNBHQCYJI-OAHLLOKOSA-N 2 0 313.405 1.844 40 0 DDABRP O[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000072394690 191149174 /nfs/dbraw/zinc/14/91/74/191149174.db2.gz CALOHMMDVSFJOH-CQSZACIVSA-N 2 0 314.433 1.987 40 0 DDABRP c1nc2c([nH]1)[C@@H](c1ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc1)[NH2+]CC2 ZINC000001730855 406678601 /nfs/dbraw/zinc/67/86/01/406678601.db2.gz YMRZRVBWYWHBST-IYBDPMFKSA-N 2 0 320.400 1.603 40 0 DDABRP Cc1ccc2[nH]c(=O)c(C[NH2+]CCCN3CCOCC3)cc2c1 ZINC000004131201 406723703 /nfs/dbraw/zinc/72/37/03/406723703.db2.gz MJEHTQZYZZULLB-UHFFFAOYSA-N 2 0 315.417 1.648 40 0 DDABRP Cn1cccc1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096223855 407252763 /nfs/dbraw/zinc/25/27/63/407252763.db2.gz ROPWFXKHTGYRIK-SFHVURJKSA-N 2 0 318.465 1.401 40 0 DDABRP C[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201643 407248542 /nfs/dbraw/zinc/24/85/42/407248542.db2.gz BWALEPSYTHRCQS-RHSMWYFYSA-N 2 0 321.490 1.980 40 0 DDABRP COc1cc(C[N@@H+]2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)cc(OC)c1 ZINC000306130521 231085355 /nfs/dbraw/zinc/08/53/55/231085355.db2.gz JIUCXKKBTVWHJH-BMGDILEWSA-N 2 0 320.433 1.712 40 0 DDABRP Cc1cc(OC[C@@H]2CCC[NH2+]C2)nc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000072203817 191076205 /nfs/dbraw/zinc/07/62/05/191076205.db2.gz XFGCQWIDRNOJHU-CABCVRRESA-N 2 0 320.437 1.542 40 0 DDABRP CC[NH+](CC)C[C@@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@H]1O ZINC000514288436 257216692 /nfs/dbraw/zinc/21/66/92/257216692.db2.gz FHQZGJHXUMNVFJ-HZSPNIEDSA-N 2 0 306.397 1.624 40 0 biogenic,in-vitro DDABRP C[NH+](C)CC(=O)N1CCC2(CC[C@@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096209261 407250885 /nfs/dbraw/zinc/25/08/85/407250885.db2.gz PDPNJVNKNTZXCP-INIZCTEOSA-N 2 0 323.481 1.430 40 0 DDABRP O[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000072394689 191150266 /nfs/dbraw/zinc/15/02/66/191150266.db2.gz CALOHMMDVSFJOH-AWEZNQCLSA-N 2 0 314.433 1.987 40 0 DDABRP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404551 185169596 /nfs/dbraw/zinc/16/95/96/185169596.db2.gz QCEPSFNEGREPPM-YOEHRIQHSA-N 2 0 301.434 1.989 40 0 DDABRP CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C1(C[NH3+])C[NH3+] ZINC000218373759 257130829 /nfs/dbraw/zinc/13/08/29/257130829.db2.gz YLZCHGYBXIGPRL-NWDGAFQWSA-N 2 0 302.827 1.144 40 0 DDABRP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096196846 407246807 /nfs/dbraw/zinc/24/68/07/407246807.db2.gz CAWKZGDTBQZWFY-HNNXBMFYSA-N 2 0 306.454 1.618 40 0 DDABRP C[NH+](C)CCN1CCO[C@H]2CC[N@H+](Cc3cccs3)CC[C@H]21 ZINC000248056669 408531434 /nfs/dbraw/zinc/53/14/34/408531434.db2.gz YGYJZNXSFYERDM-SJORKVTESA-N 2 0 323.506 1.975 40 0 DDABRP CC[NH+](CC)C[C@@H]1OC[C@H]([NH2+]C2Cc3ccccc3C2)[C@H]1O ZINC000514288502 257216565 /nfs/dbraw/zinc/21/65/65/257216565.db2.gz GLBNZMKHMLFHFU-OKZBNKHCSA-N 2 0 304.434 1.214 40 0 biogenic,in-vitro DDABRP C1OC2(C[C@H]1N1CCC([NH+]3CCCCC3)CC1)CC[NH2+]CC2 ZINC000019201489 406885071 /nfs/dbraw/zinc/88/50/71/406885071.db2.gz ZREJDHYRNJQOCB-QGZVFWFLSA-N 2 0 307.482 1.848 40 0 DDABRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096184312 407245089 /nfs/dbraw/zinc/24/50/89/407245089.db2.gz GPXOGPUSWKNCEN-HOTGVXAUSA-N 2 0 317.433 1.626 40 0 DDABRP CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(C[NH3+])C[NH3+] ZINC000218374991 257130664 /nfs/dbraw/zinc/13/06/64/257130664.db2.gz QQRFFSGSVLZIJO-VXGBXAGGSA-N 2 0 302.827 1.144 40 0 DDABRP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051926 407228197 /nfs/dbraw/zinc/22/81/97/407228197.db2.gz AHMCWAIJFFOKDU-HZPDHXFCSA-N 2 0 310.463 1.917 40 0 DDABRP CC(C)C[NH+]1CCC(N2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000019700373 352168932 /nfs/dbraw/zinc/16/89/32/352168932.db2.gz KNPLSVPRSVLSOQ-UHFFFAOYSA-N 2 0 322.453 1.123 40 0 DDABRP O[C@@H](COCCOCC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000005375521 181235804 /nfs/dbraw/zinc/23/58/04/181235804.db2.gz RVSRIHKYGCDURP-QGZVFWFLSA-N 2 0 314.470 1.352 40 0 DDABRP Cc1cccc2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c12 ZINC000004131196 406723374 /nfs/dbraw/zinc/72/33/74/406723374.db2.gz XKLYWFVKVQBUTI-UHFFFAOYSA-N 2 0 315.417 1.648 40 0 DDABRP C[C@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443135 185367194 /nfs/dbraw/zinc/36/71/94/185367194.db2.gz ILXKADWHYPCQNI-SVTHRDLCSA-N 2 0 310.482 1.728 40 0 DDABRP Cn1ccnc1C[NH+]1CCC2(CC([NH+]3CCOCC3)C2)CC1 ZINC000096063158 407233360 /nfs/dbraw/zinc/23/33/60/407233360.db2.gz KUPNNZSQNCXZJJ-UHFFFAOYSA-N 2 0 304.438 1.497 40 0 DDABRP C[NH+](C)CCN1CC2(CC[NH+](Cc3ccoc3)CC2)OCC1=O ZINC000096201351 407248205 /nfs/dbraw/zinc/24/82/05/407248205.db2.gz UJFQJRUBPDDBCH-UHFFFAOYSA-N 2 0 321.421 1.035 40 0 DDABRP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)o1 ZINC000107739484 407379447 /nfs/dbraw/zinc/37/94/47/407379447.db2.gz KTIYUUNGQLRBBI-DLBZAZTESA-N 2 0 308.422 1.900 40 0 DDABRP CC(C)[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000079404638 185169463 /nfs/dbraw/zinc/16/94/63/185169463.db2.gz VIABWCDSCQHZIK-KRWDZBQOSA-N 2 0 303.450 1.998 40 0 DDABRP C[NH+](C)CCN1CCOCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000096239843 407254808 /nfs/dbraw/zinc/25/48/08/407254808.db2.gz KWHUKBZRRWTEMZ-UHFFFAOYSA-N 2 0 321.465 1.756 40 0 DDABRP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](CC1CC1)C2 ZINC000096060874 407231876 /nfs/dbraw/zinc/23/18/76/407231876.db2.gz PBCYHRRBGBOFSI-CQSZACIVSA-N 2 0 307.442 1.185 40 0 DDABRP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000107256312 407371466 /nfs/dbraw/zinc/37/14/66/407371466.db2.gz SQFTZERPTGBNTH-FGTMMUONSA-N 2 0 317.433 1.393 40 0 DDABRP Cc1c/c(=[NH+]\c2ccc3c(c2)c(N)cc(C)[n+]3C)nc(N)n1C ZINC000003954031 181058866 /nfs/dbraw/zinc/05/88/66/181058866.db2.gz KMJWBVJQFGRCEB-UHFFFAOYSA-O 2 0 309.397 1.411 40 0 in-vitro DDABRP C[NH+]1CCC2(CC1)CN(C(=O)CCC[NH3+])Cc1ccccc1O2 ZINC000019588409 182132330 /nfs/dbraw/zinc/13/23/30/182132330.db2.gz CDXVYDANEGNDGP-UHFFFAOYSA-N 2 0 317.433 1.611 40 0 DDABRP CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(C[NH3+])C[NH3+] ZINC000218375148 257130929 /nfs/dbraw/zinc/13/09/29/257130929.db2.gz QQRFFSGSVLZIJO-NWDGAFQWSA-N 2 0 302.827 1.144 40 0 DDABRP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051923 407228001 /nfs/dbraw/zinc/22/80/01/407228001.db2.gz AHMCWAIJFFOKDU-HOTGVXAUSA-N 2 0 310.463 1.917 40 0 DDABRP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096183642 407244639 /nfs/dbraw/zinc/24/46/39/407244639.db2.gz INZCAPAZGOQJKV-SOUVJXGZSA-N 2 0 323.462 1.158 40 0 DDABRP c1cc2n(n1)C[C@H](C[NH+]1CCCC1)CN(CC1CCOCC1)C2 ZINC000253478665 407452243 /nfs/dbraw/zinc/45/22/43/407452243.db2.gz MKENVJZGDBBBAZ-QGZVFWFLSA-N 2 0 318.465 1.837 40 0 DDABRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH2+]C3)c1 ZINC000306127891 534510267 /nfs/dbraw/zinc/51/02/67/534510267.db2.gz GJZWCKTUTUBZQH-ROUUACIJSA-N 2 0 301.434 1.920 40 0 DDABRP C[C@H]([NH3+])C(=O)N1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000072394527 191149857 /nfs/dbraw/zinc/14/98/57/191149857.db2.gz HDXROHONEAVTDQ-ZDUSSCGKSA-N 2 0 303.406 1.219 40 0 DDABRP C[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404570 407054078 /nfs/dbraw/zinc/05/40/78/407054078.db2.gz QQUPBILUOIIAON-AWEZNQCLSA-N 2 0 301.434 1.989 40 0 DDABRP O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN1CC[NH+]1CCCC1 ZINC000096245053 407254611 /nfs/dbraw/zinc/25/46/11/407254611.db2.gz JVZDVEXXHWNVFX-HOCLYGCPSA-N 2 0 319.474 1.734 40 0 DDABRP Cn1cc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cn1 ZINC000096047947 407227231 /nfs/dbraw/zinc/22/72/31/407227231.db2.gz MZLHXVMZWAHAGP-MRXNPFEDSA-N 2 0 304.438 1.639 40 0 DDABRP c1cc(C[N@H+]2C[C@H]3CCC[C@@H](C[NH+]4CCOCC4)[C@H]3C2)n[nH]1 ZINC000096081889 407236379 /nfs/dbraw/zinc/23/63/79/407236379.db2.gz ZYMHPCADCFLXHU-ZMSDIMECSA-N 2 0 304.438 1.590 40 0 DDABRP CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC000306135608 529998522 /nfs/dbraw/zinc/99/85/22/529998522.db2.gz OVWARDFCQIAIDW-MRXNPFEDSA-N 2 0 317.433 1.098 40 0 DDABRP C(C[C@@H]1CCC[NH2+]C1)c1nc(N2CCCC2)nc2c1C[NH2+]CC2 ZINC000019015014 406885420 /nfs/dbraw/zinc/88/54/20/406885420.db2.gz FCZGGDMTTUQECS-AWEZNQCLSA-N 2 0 315.465 1.655 40 0 DDABRP Cc1ccc2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000004131198 406723005 /nfs/dbraw/zinc/72/30/05/406723005.db2.gz NOOGVLKSGNUGSH-UHFFFAOYSA-N 2 0 315.417 1.648 40 0 DDABRP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH2+]CC2)C1 ZINC000306139705 409773494 /nfs/dbraw/zinc/77/34/94/409773494.db2.gz TXZMGZMAIJLBGS-UHFFFAOYSA-N 2 0 301.369 1.608 40 0 DDABRP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051920 407228188 /nfs/dbraw/zinc/22/81/88/407228188.db2.gz AITYZCRPJUQZFC-ZBFHGGJFSA-N 2 0 310.463 1.917 40 0 DDABRP [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000261812016 539275359 /nfs/dbraw/zinc/27/53/59/539275359.db2.gz WWGZUFNRHQEYMO-UHFFFAOYSA-N 2 0 309.413 1.933 40 0 DDABRP CC[NH+](CC)CCOC(=O)CCC(=O)OCC[NH+](CC)CC ZINC000005453480 181245776 /nfs/dbraw/zinc/24/57/76/181245776.db2.gz JMNXSGBHXOVUMI-UHFFFAOYSA-N 2 0 316.442 1.537 40 0 DDABRP CC[NH+](CC)CCCNC(=S)NCCC[NH+](CC)CC ZINC000005561558 181258091 /nfs/dbraw/zinc/25/80/91/181258091.db2.gz ZVWJEUNDFGRNEP-UHFFFAOYSA-N 2 0 302.532 1.914 40 0 DDABRP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CCOC1)CC2 ZINC000107212024 407371026 /nfs/dbraw/zinc/37/10/26/407371026.db2.gz CAWKZGDTBQZWFY-OAHLLOKOSA-N 2 0 306.454 1.618 40 0 DDABRP CSc1nc(O[C@@H]2CCC[NH2+]C2)cc(O[C@H]2CCC[NH2+]C2)n1 ZINC000072203279 191076324 /nfs/dbraw/zinc/07/63/24/191076324.db2.gz BKVBAFLLRBYJGB-TXEJJXNPSA-N 2 0 324.450 1.460 40 0 DDABRP OCC[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019939793 182168202 /nfs/dbraw/zinc/16/82/02/182168202.db2.gz ZREXZLAKFOBULG-FGTMMUONSA-N 2 0 319.493 1.273 40 0 DDABRP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415631 185170807 /nfs/dbraw/zinc/17/08/07/185170807.db2.gz STWOOHMDZAMILW-HOCLYGCPSA-N 2 0 301.434 1.847 40 0 DDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000096056476 407229881 /nfs/dbraw/zinc/22/98/81/407229881.db2.gz WMMOKPFNHUTKSU-IAGOWNOFSA-N 2 0 319.424 1.953 40 0 DDABRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)C1=O ZINC000096073939 407234827 /nfs/dbraw/zinc/23/48/27/407234827.db2.gz NVXVQWWZPPCOGC-GOSISDBHSA-N 2 0 316.449 1.458 40 0 DDABRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415636 278223976 /nfs/dbraw/zinc/22/39/76/278223976.db2.gz STWOOHMDZAMILW-GOEBONIOSA-N 2 0 301.434 1.847 40 0 DDABRP C[NH+](C)Cc1cnc(CC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000257204938 407493194 /nfs/dbraw/zinc/49/31/94/407493194.db2.gz AWYJERGGDDXJLC-UHFFFAOYSA-N 2 0 318.465 1.972 40 0 DDABRP COc1ccccc1C[N@@H+]1CC[C@@H](NCCC[NH+](C)C)[C@H](O)C1 ZINC000012146523 406837637 /nfs/dbraw/zinc/83/76/37/406837637.db2.gz OTOOICUUDYHVET-IAGOWNOFSA-N 2 0 321.465 1.172 40 0 DDABRP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](CC1CC1)CCC2 ZINC000096055967 407229309 /nfs/dbraw/zinc/22/93/09/407229309.db2.gz WPVIHOWLADBJKN-WMZOPIPTSA-N 2 0 324.465 1.620 40 0 DDABRP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@H+](Cc4ccco4)C[C@@H]32)CC1 ZINC000096056255 407229966 /nfs/dbraw/zinc/22/99/66/407229966.db2.gz KVWKQFXHBZMXJE-RYQLBKOJSA-N 2 0 319.449 1.364 40 0 DDABRP COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc1 ZINC000096054300 407230011 /nfs/dbraw/zinc/23/00/11/407230011.db2.gz MNEKLAOOCUFVTC-MSOLQXFVSA-N 2 0 319.449 1.142 40 0 DDABRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCOC2)Cc2cccnc21 ZINC000096198837 407247347 /nfs/dbraw/zinc/24/73/47/407247347.db2.gz LONKUNSQFKOFCE-HNNXBMFYSA-N 2 0 304.438 1.302 40 0 DDABRP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)o1 ZINC000107739479 407379329 /nfs/dbraw/zinc/37/93/29/407379329.db2.gz KTIYUUNGQLRBBI-IRXDYDNUSA-N 2 0 308.422 1.900 40 0 DDABRP C[NH+](C)CCNc1nc(NCc2cccnc2)cc(C2CC2)n1 ZINC000329059544 410078792 /nfs/dbraw/zinc/07/87/92/410078792.db2.gz WHNNVXJXAFWZCY-UHFFFAOYSA-N 2 0 312.421 1.178 40 0 DDABRP COCC[NH+]1CCC(c2ccnc3c(C[NH+](C)C)cnn32)CC1 ZINC000257269205 518058450 /nfs/dbraw/zinc/05/84/50/518058450.db2.gz MPACKAUTVLZGLG-UHFFFAOYSA-N 2 0 317.437 1.617 40 0 DDABRP C[NH+](C)CC(=O)N1CCC2(CC[C@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096209262 407250844 /nfs/dbraw/zinc/25/08/44/407250844.db2.gz PDPNJVNKNTZXCP-MRXNPFEDSA-N 2 0 323.481 1.430 40 0 DDABRP C[NH+](C)CCN1CCO[C@H]2CC[N@H+](Cc3cccs3)CC[C@@H]21 ZINC000096249257 407256241 /nfs/dbraw/zinc/25/62/41/407256241.db2.gz YGYJZNXSFYERDM-IRXDYDNUSA-N 2 0 323.506 1.975 40 0 DDABRP C[NH+](C)CCN1CCC2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000096157745 407241205 /nfs/dbraw/zinc/24/12/05/407241205.db2.gz FMGTXTOBMMXWOU-UHFFFAOYSA-N 2 0 316.449 1.458 40 0 DDABRP Cc1cc(OC[C@H]2CCC[NH2+]C2)nc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000072203819 191076022 /nfs/dbraw/zinc/07/60/22/191076022.db2.gz XFGCQWIDRNOJHU-GJZGRUSLSA-N 2 0 320.437 1.542 40 0 DDABRP Cc1cc(OC[C@@H]2CCC[NH2+]C2)nc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000072203816 191075686 /nfs/dbraw/zinc/07/56/86/191075686.db2.gz XFGCQWIDRNOJHU-HUUCEWRRSA-N 2 0 320.437 1.542 40 0 DDABRP C[NH+](C)CCN1C(=O)CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096228039 407253971 /nfs/dbraw/zinc/25/39/71/407253971.db2.gz CXIWAVXWQIYOLP-UHFFFAOYSA-N 2 0 305.422 1.798 40 0 DDABRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)[NH2+]2)CC1 ZINC000257286162 256621710 /nfs/dbraw/zinc/62/17/10/256621710.db2.gz PKNQQMJIOAWYMY-XLMAVXFVSA-N 2 0 323.481 1.116 40 0 DDABRP CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C1(C[NH3+])C[NH3+] ZINC000218373599 257130766 /nfs/dbraw/zinc/13/07/66/257130766.db2.gz YLZCHGYBXIGPRL-VXGBXAGGSA-N 2 0 302.827 1.144 40 0 DDABRP CSc1nc(O[C@@H]2CCC[NH2+]C2)cc(O[C@@H]2CCC[NH2+]C2)n1 ZINC000072203278 191076467 /nfs/dbraw/zinc/07/64/67/191076467.db2.gz BKVBAFLLRBYJGB-VXGBXAGGSA-N 2 0 324.450 1.460 40 0 DDABRP [NH3+]CC1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035604 257131217 /nfs/dbraw/zinc/13/12/17/257131217.db2.gz BFJXUQYNYILNKN-CVEARBPZSA-N 2 0 316.426 1.530 40 0 DDABRP c1csc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)c1 ZINC000096248717 407255577 /nfs/dbraw/zinc/25/55/77/407255577.db2.gz DHYPVMJFCIHRDK-SJORKVTESA-N 2 0 321.490 1.729 40 0 DDABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079394283 185168987 /nfs/dbraw/zinc/16/89/87/185168987.db2.gz MBHIXGUSEKELLO-SJORKVTESA-N 2 0 303.450 1.950 40 0 DDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccsc1 ZINC000096056472 407229045 /nfs/dbraw/zinc/22/90/45/407229045.db2.gz WZZHADVBTGNVIO-HUUCEWRRSA-N 2 0 307.463 1.875 40 0 DDABRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000096196641 407246779 /nfs/dbraw/zinc/24/67/79/407246779.db2.gz XHHCCJATTOCQEM-UHFFFAOYSA-N 2 0 315.417 1.604 40 0 DDABRP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051922 407228315 /nfs/dbraw/zinc/22/83/15/407228315.db2.gz AITYZCRPJUQZFC-GDBMZVCRSA-N 2 0 310.463 1.917 40 0 DDABRP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C)CO3)C2)o1 ZINC000107738570 407379696 /nfs/dbraw/zinc/37/96/96/407379696.db2.gz DYLCPCYQUOSQBJ-DOTOQJQBSA-N 2 0 308.422 1.757 40 0 DDABRP CC(C)[NH2+]CCCNC(=S)C(=S)NCCC[NH2+]C(C)C ZINC000005455423 181245623 /nfs/dbraw/zinc/24/56/23/181245623.db2.gz QIFDEXGXKCRFNC-UHFFFAOYSA-N 2 0 318.556 1.597 40 0 DDABRP Nc1cc(CC[C@@H]2C[N@H+](CC3(O)CCCCC3)CCO2)cc[nH+]1 ZINC000257317217 203041504 /nfs/dbraw/zinc/04/15/04/203041504.db2.gz VIVSGGIHOOIGNC-MRXNPFEDSA-N 2 0 319.449 1.992 40 0 DDABRP C[NH+](C)CCN1CCOCC2(CC[NH+](Cc3ccc[nH]3)CC2)C1 ZINC000096239840 407254720 /nfs/dbraw/zinc/25/47/20/407254720.db2.gz PYFLYKNSBBVVTK-UHFFFAOYSA-N 2 0 320.481 1.491 40 0 DDABRP CC[NH+](CC)C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(C)nn3C)C[C@H]12 ZINC000306127330 279125852 /nfs/dbraw/zinc/12/58/52/279125852.db2.gz FWAUPMXDEXPWRE-DJIMGWMZSA-N 2 0 306.454 1.517 40 0 DDABRP Cn1cccc1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096223858 407252844 /nfs/dbraw/zinc/25/28/44/407252844.db2.gz ROPWFXKHTGYRIK-GOSISDBHSA-N 2 0 318.465 1.401 40 0 DDABRP C[NH+](C)CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000096189626 407246435 /nfs/dbraw/zinc/24/64/35/407246435.db2.gz IMWJLHMAWLSAMD-HNNXBMFYSA-N 2 0 315.417 1.650 40 0 DDABRP CC[NH+](CC)C[C@@H]1OC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]1O ZINC000514288437 257216488 /nfs/dbraw/zinc/21/64/88/257216488.db2.gz FHQZGJHXUMNVFJ-MELADBBJSA-N 2 0 306.397 1.624 40 0 biogenic,in-vitro DDABRP COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH2+]CC2)cs1 ZINC000225467571 407587869 /nfs/dbraw/zinc/58/78/69/407587869.db2.gz RMHAPOHYFFOTIQ-GFCCVEGCSA-N 2 0 311.451 1.325 40 0 biogenic,in-vitro DDABRP C[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404561 185169706 /nfs/dbraw/zinc/16/97/06/185169706.db2.gz VLUXJUAHIPBKBB-HOCLYGCPSA-N 2 0 301.434 1.847 40 0 DDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096056478 407230707 /nfs/dbraw/zinc/23/07/07/407230707.db2.gz PVJJMOGAERWUJT-CVEARBPZSA-N 2 0 302.422 1.209 40 0 DDABRP O=C1CC[C@H]2[C@H](CC[N@@H+]2C[C@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000096186304 407245456 /nfs/dbraw/zinc/24/54/56/407245456.db2.gz YHJWVJBUGLKXFQ-IKGGRYGDSA-N 2 0 321.465 1.184 40 0 DDABRP C1C[NH+]([C@@H]2CC[C@@H]3S[C@H]2CC[C@H]3[NH+]2CCOCC2)CCO1 ZINC000035904207 406976410 /nfs/dbraw/zinc/97/64/10/406976410.db2.gz AISSRCQTANXUHV-WCVJEAGWSA-N 2 0 312.479 1.446 40 0 DDABRP O=C(CCCn1ccnc1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000131173930 196146666 /nfs/dbraw/zinc/14/66/66/196146666.db2.gz MQVCRQNBHQCYJI-HNNXBMFYSA-N 2 0 313.405 1.844 40 0 DDABRP [NH3+]CC(=O)N(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404327 185169068 /nfs/dbraw/zinc/16/90/68/185169068.db2.gz SUPNLPDNTQRDGO-QGZVFWFLSA-N 2 0 301.434 1.991 40 0 DDABRP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)o1 ZINC000096056474 407229334 /nfs/dbraw/zinc/22/93/34/407229334.db2.gz UHSLLXIBNCRWOB-HZPDHXFCSA-N 2 0 305.422 1.715 40 0 DDABRP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404555 185169668 /nfs/dbraw/zinc/16/96/68/185169668.db2.gz QCEPSFNEGREPPM-WMLDXEAASA-N 2 0 301.434 1.989 40 0 DDABRP OC1CC[NH+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC000072394702 191149690 /nfs/dbraw/zinc/14/96/90/191149690.db2.gz SRCFGIOAIJNGHY-CYBMUJFWSA-N 2 0 314.433 1.987 40 0 DDABRP C[NH+](C)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000096185396 407244170 /nfs/dbraw/zinc/24/41/70/407244170.db2.gz ULMDRVFBUQNFHV-RLFYNMQTSA-N 2 0 318.417 1.814 40 0 DDABRP OC1CC[NH+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)CC1 ZINC000072394703 191148813 /nfs/dbraw/zinc/14/88/13/191148813.db2.gz SRCFGIOAIJNGHY-ZDUSSCGKSA-N 2 0 314.433 1.987 40 0 DDABRP C1CSCC[NH2+]CCSCCOCCSCC[NH2+]1 ZINC000071614575 275736810 /nfs/dbraw/zinc/73/68/10/275736810.db2.gz SLJKDXMTQMYBDP-UHFFFAOYSA-N 2 0 310.554 1.395 40 0 DDABRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391053 185167903 /nfs/dbraw/zinc/16/79/03/185167903.db2.gz HADZEMKQQPUBJC-INIZCTEOSA-N 2 0 301.434 1.848 40 0 DDABRP C1C[NH+]([C@@H]2CC[C@H]3S[C@@H]2CC[C@@H]3[NH+]2CCOCC2)CCO1 ZINC000015319992 406879993 /nfs/dbraw/zinc/87/99/93/406879993.db2.gz AISSRCQTANXUHV-QKPAOTATSA-N 2 0 312.479 1.446 40 0 DDABRP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C)CO3)C2)o1 ZINC000096051933 407228651 /nfs/dbraw/zinc/22/86/51/407228651.db2.gz DYLCPCYQUOSQBJ-WBVHZDCISA-N 2 0 308.422 1.757 40 0 DDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccncc1 ZINC000096056479 407230997 /nfs/dbraw/zinc/23/09/97/407230997.db2.gz NQYFJMYPJZEDLX-HZPDHXFCSA-N 2 0 302.422 1.209 40 0 DDABRP O[C@@H]1C[C@H](C[NH2+]Cc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257274803 203003135 /nfs/dbraw/zinc/00/31/35/203003135.db2.gz NMSDGZNQCQINJF-BDXSIMOUSA-N 2 0 304.434 1.372 40 0 DDABRP [NH3+]CC1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218035844 257131690 /nfs/dbraw/zinc/13/16/90/257131690.db2.gz BFJXUQYNYILNKN-JKSUJKDBSA-N 2 0 316.426 1.530 40 0 DDABRP C1C[NH+]([C@H]2CC[C@H]3S[C@@H]2CC[C@@H]3[NH+]2CCOCC2)CCO1 ZINC000015319995 406879721 /nfs/dbraw/zinc/87/97/21/406879721.db2.gz AISSRCQTANXUHV-CAOSSQGBSA-N 2 0 312.479 1.446 40 0 DDABRP C[NH+](C)CCN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000096183830 407244621 /nfs/dbraw/zinc/24/46/21/407244621.db2.gz VSTMBKDPOQSBCS-JKSUJKDBSA-N 2 0 305.397 1.563 40 0 DDABRP O[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1 ZINC000247959965 341371538 /nfs/dbraw/zinc/37/15/38/341371538.db2.gz PRGUSTUJRDFUNH-UONOGXRCSA-N 2 0 314.433 1.987 40 0 DDABRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404634 185169482 /nfs/dbraw/zinc/16/94/82/185169482.db2.gz FXGINOAOKXSQDN-SJORKVTESA-N 2 0 303.450 1.998 40 0 DDABRP Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)o1 ZINC000096046785 193499298 /nfs/dbraw/zinc/49/92/98/193499298.db2.gz FEUBDGYMHOYFGA-UHFFFAOYSA-N 2 0 319.449 1.964 40 0 DDABRP Cc1nc(C(=O)N(C)CC[NH+](C)C)cc(C2CC[NH+](C)CC2)n1 ZINC000072382890 406881620 /nfs/dbraw/zinc/88/16/20/406881620.db2.gz DGWOMGTVNDXCPA-UHFFFAOYSA-N 2 0 319.453 1.228 40 0 DDABRP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)o1 ZINC000096052282 407228623 /nfs/dbraw/zinc/22/86/23/407228623.db2.gz KTIYUUNGQLRBBI-IAGOWNOFSA-N 2 0 308.422 1.900 40 0 DDABRP Cc1cc(CN2C[C@H]3OC[C@H](C[NH+]4CCCCC4)[C@H]3C2)n(C)n1 ZINC000306141361 409772093 /nfs/dbraw/zinc/77/20/93/409772093.db2.gz VTCIBNUKHOFSCA-CGTJXYLNSA-N 2 0 318.465 1.661 40 0 DDABRP C[C@@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695566 194351013 /nfs/dbraw/zinc/35/10/13/194351013.db2.gz ILXKADWHYPCQNI-OPLOCNSUSA-N 2 0 310.482 1.728 40 0 DDABRP CC(C)[N@@H+]1C[C@@H]2C[C@@H](CC(=O)NCC[NH+]3CCCC3)O[C@@H]2C1 ZINC000096215599 407251357 /nfs/dbraw/zinc/25/13/57/407251357.db2.gz GCJHLBHVYOAPIL-HRCADAONSA-N 2 0 309.454 1.086 40 0 DDABRP CN1CC[NH+]([C@H]2CC[C@](C[NH3+])(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257208755 407497984 /nfs/dbraw/zinc/49/79/84/407497984.db2.gz BNMITKOPOCYGTF-FHWLQOOXSA-N 2 0 317.477 1.434 40 0 DDABRP C[C@@H]([NH3+])C(=O)N1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000072394528 191149765 /nfs/dbraw/zinc/14/97/65/191149765.db2.gz HDXROHONEAVTDQ-CYBMUJFWSA-N 2 0 303.406 1.219 40 0 DDABRP OCC[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019939791 182168177 /nfs/dbraw/zinc/16/81/77/182168177.db2.gz ZREXZLAKFOBULG-SQNIBIBYSA-N 2 0 319.493 1.273 40 0 DDABRP Cc1nc(C[NH+]2CCC3(CC(NS(C)(=O)=O)C3)CC2)c[nH]1 ZINC000108526663 407387096 /nfs/dbraw/zinc/38/70/96/407387096.db2.gz BVHVCJSTBQLXDM-UHFFFAOYSA-N 2 0 312.439 1.012 40 0 DDABRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391050 185167999 /nfs/dbraw/zinc/16/79/99/185167999.db2.gz HADZEMKQQPUBJC-MRXNPFEDSA-N 2 0 301.434 1.848 40 0 DDABRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157567 407241431 /nfs/dbraw/zinc/24/14/31/407241431.db2.gz CSYVQQXMQKMHHH-UHFFFAOYSA-N 2 0 316.449 1.458 40 0 DDABRP C[N@H+](CC(=O)NCc1c[nH]c([C@@H]2CC[NH+](C)C2)n1)C1CCCC1 ZINC000257257014 407523964 /nfs/dbraw/zinc/52/39/64/407523964.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 0 319.453 1.319 40 0 DDABRP OCC[NH+]1CCN(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 ZINC000019885670 182160557 /nfs/dbraw/zinc/16/05/57/182160557.db2.gz QYNZLWAIULROHW-LZLYRXPVSA-N 2 0 307.482 1.249 40 0 DDABRP C[NH+](C)CCOCc1cncc2c1CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096189348 407247103 /nfs/dbraw/zinc/24/71/03/407247103.db2.gz HBKKCBIDOQWEND-HNNXBMFYSA-N 2 0 319.449 1.554 40 0 DDABRP c1c(NCCC2CC[NH2+]CC2)nc(NC2CC2)[nH+]c1C1CC1 ZINC000328979577 410033293 /nfs/dbraw/zinc/03/32/93/410033293.db2.gz GGJRQPUPEBQWOP-UHFFFAOYSA-N 2 0 301.438 1.574 40 0 DDABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415724 185170772 /nfs/dbraw/zinc/17/07/72/185170772.db2.gz JYXARWYHWBYJIE-SJORKVTESA-N 2 0 303.450 1.950 40 0 DDABRP C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]12 ZINC000096185248 407244532 /nfs/dbraw/zinc/24/45/32/407244532.db2.gz VAAPXCBMRBBBCP-RKVPGOIHSA-N 2 0 318.417 1.814 40 0 DDABRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096184311 407244141 /nfs/dbraw/zinc/24/41/41/407244141.db2.gz GPXOGPUSWKNCEN-JKSUJKDBSA-N 2 0 317.433 1.626 40 0 DDABRP [NH3+]CC(=O)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404333 185169711 /nfs/dbraw/zinc/16/97/11/185169711.db2.gz SUPNLPDNTQRDGO-KRWDZBQOSA-N 2 0 301.434 1.991 40 0 DDABRP CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(C[NH3+])C[NH3+] ZINC000218375067 257130781 /nfs/dbraw/zinc/13/07/81/257130781.db2.gz QQRFFSGSVLZIJO-NEPJUHHUSA-N 2 0 302.827 1.144 40 0 DDABRP CC(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(C2CC2)[nH+]1 ZINC000328975964 410029869 /nfs/dbraw/zinc/02/98/69/410029869.db2.gz FMRXQAQJXYQDOM-UHFFFAOYSA-N 2 0 303.454 1.820 40 0 DDABRP C[C@@H]([NH3+])C(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](C)CC2)C1 ZINC000072394792 296014754 /nfs/dbraw/zinc/01/47/54/296014754.db2.gz YCNQXHSTPRIQLA-RDTXWAMCSA-N 2 0 317.433 1.609 40 0 DDABRP C[NH+](C)CCCNC(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257274188 407531218 /nfs/dbraw/zinc/53/12/18/407531218.db2.gz NJXANZPRZOLAQB-UHFFFAOYSA-N 2 0 301.394 1.013 40 0 DDABRP Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)s1 ZINC000096054298 407229890 /nfs/dbraw/zinc/22/98/90/407229890.db2.gz AUNPDQLVULHEMD-CVEARBPZSA-N 2 0 309.479 1.503 40 0 DDABRP [NH3+]CC(=O)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404341 185169755 /nfs/dbraw/zinc/16/97/55/185169755.db2.gz HXLPPZVJGZMAQA-MRXNPFEDSA-N 2 0 301.434 1.848 40 0 DDABRP CC(=O)NCC[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000119604848 195000120 /nfs/dbraw/zinc/00/01/20/195000120.db2.gz ZSFRRKZHEZIXGS-BZSNNMDCSA-N 2 0 301.434 1.623 40 0 DDABRP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051940 407228482 /nfs/dbraw/zinc/22/84/82/407228482.db2.gz MGSOSEMGQBJQTO-SJLPKXTDSA-N 2 0 322.424 1.995 40 0 DDABRP COc1ccc(-c2nnc3n2C2(CC[NH2+]CC2)C[N@@H+](C)C3)cc1 ZINC000306135075 286265025 /nfs/dbraw/zinc/26/50/25/286265025.db2.gz OHDLXFNIRMWNDQ-UHFFFAOYSA-N 2 0 313.405 1.478 40 0 DDABRP COc1ccc(C[N@@H+]2CC[C@@H](NCCC[NH+](C)C)[C@H](O)C2)cc1 ZINC000012146524 406836963 /nfs/dbraw/zinc/83/69/63/406836963.db2.gz GYNOKNLWVJPMII-QZTJIDSGSA-N 2 0 321.465 1.172 40 0 DDABRP Nc1cc(CC[C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)cc[nH+]1 ZINC000257317216 203041760 /nfs/dbraw/zinc/04/17/60/203041760.db2.gz VIVSGGIHOOIGNC-INIZCTEOSA-N 2 0 319.449 1.992 40 0 DDABRP CCC[N@@H+]1CCc2nc3n(c(=O)c2C1)[C@@H](C[NH+](C)CC)CCC3 ZINC000306144287 276263782 /nfs/dbraw/zinc/26/37/82/276263782.db2.gz ZBHBGFBGGYMNET-CQSZACIVSA-N 2 0 318.465 1.841 40 0 DDABRP c1ccc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH2+]C3)nc1 ZINC000306125190 534490264 /nfs/dbraw/zinc/49/02/64/534490264.db2.gz CIOMOXDUAKJLAK-AEFFLSMTSA-N 2 0 301.434 1.920 40 0 DDABRP COc1ncccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC000096184313 353914030 /nfs/dbraw/zinc/91/40/30/353914030.db2.gz RHBSKZYEZKBUBK-JKSUJKDBSA-N 2 0 304.438 1.300 40 0 DDABRP CC[NH+](CC)C[C@@H]1OC[C@@H]([NH2+]C2Cc3ccccc3C2)[C@H]1O ZINC000514288500 257216455 /nfs/dbraw/zinc/21/64/55/257216455.db2.gz GLBNZMKHMLFHFU-FGTMMUONSA-N 2 0 304.434 1.214 40 0 biogenic,in-vitro DDABRP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249603 407256313 /nfs/dbraw/zinc/25/63/13/407256313.db2.gz HMGHOPJVAFQXEN-SJLPKXTDSA-N 2 0 322.424 1.995 40 0 DDABRP Cn1cc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cn1 ZINC000096047946 407227308 /nfs/dbraw/zinc/22/73/08/407227308.db2.gz MZLHXVMZWAHAGP-INIZCTEOSA-N 2 0 304.438 1.639 40 0 DDABRP C[C@@H]1C[N@H+](Cc2nccs2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201644 407248630 /nfs/dbraw/zinc/24/86/30/407248630.db2.gz ULRZNEWIYBHQMV-CZUORRHYSA-N 2 0 322.478 1.375 40 0 DDABRP c1cc2n(n1)C[C@@H](C[NH+]1CCCC1)CN(CC1CCOCC1)C2 ZINC000253478664 407450127 /nfs/dbraw/zinc/45/01/27/407450127.db2.gz MKENVJZGDBBBAZ-KRWDZBQOSA-N 2 0 318.465 1.837 40 0 DDABRP CN(C)c1cc(C[C@@H]2C[NH2+]CC[N@@H+](C3CCCC3)C2)ncn1 ZINC000072355042 191128811 /nfs/dbraw/zinc/12/88/11/191128811.db2.gz YOEOAKQPSJVODK-CQSZACIVSA-N 2 0 303.454 1.549 40 0 DDABRP c1nn(C2CC[NH2+]CC2)c2nc[nH+]c(NN3CCCCC3)c12 ZINC000228935612 257214524 /nfs/dbraw/zinc/21/45/24/257214524.db2.gz LZHWZFUQKXHLGU-UHFFFAOYSA-N 2 0 301.398 1.564 40 0 DDABRP O[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1 ZINC000072394705 406881615 /nfs/dbraw/zinc/88/16/15/406881615.db2.gz PRGUSTUJRDFUNH-KBPBESRZSA-N 2 0 314.433 1.987 40 0 DDABRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C[NH+]2CCCC2)cc1 ZINC000257201609 295250384 /nfs/dbraw/zinc/25/03/84/295250384.db2.gz AIHUJJXAEAXMJY-MRXNPFEDSA-N 2 0 303.406 1.264 40 0 DDABRP C[C@@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443134 185366922 /nfs/dbraw/zinc/36/69/22/185366922.db2.gz ILXKADWHYPCQNI-MYGHJELWSA-N 2 0 310.482 1.728 40 0 DDABRP [NH3+]CC(=O)N1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391058 407053781 /nfs/dbraw/zinc/05/37/81/407053781.db2.gz OUECZEZLSXSEQZ-UHFFFAOYSA-N 2 0 301.434 1.848 40 0 DDABRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCOC2)Cc2cccnc21 ZINC000247991467 282101525 /nfs/dbraw/zinc/10/15/25/282101525.db2.gz LONKUNSQFKOFCE-OAHLLOKOSA-N 2 0 304.438 1.302 40 0 DDABRP OCC[NH+](CCO)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001687508 406674920 /nfs/dbraw/zinc/67/49/20/406674920.db2.gz ZUMSZBGPBCFEDO-UHFFFAOYSA-N 2 0 323.824 1.977 40 0 DDABRP Cc1cc(OC[C@H]2CCC[NH2+]C2)nc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000072203818 191076231 /nfs/dbraw/zinc/07/62/31/191076231.db2.gz XFGCQWIDRNOJHU-LSDHHAIUSA-N 2 0 320.437 1.542 40 0 DDABRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)C1=O ZINC000096073938 407234705 /nfs/dbraw/zinc/23/47/05/407234705.db2.gz NVXVQWWZPPCOGC-SFHVURJKSA-N 2 0 316.449 1.458 40 0 DDABRP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201647 407248669 /nfs/dbraw/zinc/24/86/69/407248669.db2.gz VSRWNSKKXIQXPN-CRAIPNDOSA-N 2 0 316.449 1.314 40 0 DDABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415727 185170652 /nfs/dbraw/zinc/17/06/52/185170652.db2.gz JYXARWYHWBYJIE-IRXDYDNUSA-N 2 0 303.450 1.950 40 0 DDABRP C[NH+](C)CCN1CCC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096046783 407227401 /nfs/dbraw/zinc/22/74/01/407227401.db2.gz RCSSZBOAGNDTHL-UHFFFAOYSA-N 2 0 305.422 1.656 40 0 DDABRP COc1ncccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC000096184314 407244063 /nfs/dbraw/zinc/24/40/63/407244063.db2.gz RHBSKZYEZKBUBK-HOTGVXAUSA-N 2 0 304.438 1.300 40 0 DDABRP Cc1noc(C)c1C[N@@H+]1C[C@H]2OC[C@@H](C[NH+]3CCCC3)[C@H]2C1 ZINC000306141061 534363554 /nfs/dbraw/zinc/36/35/54/534363554.db2.gz VKNVVRDRJFUFCL-DJIMGWMZSA-N 2 0 305.422 1.834 40 0 DDABRP C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@H]1CC[NH2+]C1 ZINC000257325562 282105470 /nfs/dbraw/zinc/10/54/70/282105470.db2.gz WTNFMWDDOQARGY-NSHDSACASA-N 2 0 318.446 1.665 40 0 DDABRP CC[N@@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242439 407254888 /nfs/dbraw/zinc/25/48/88/407254888.db2.gz NNNGIJNKZXNRNB-UHFFFAOYSA-N 2 0 315.461 1.944 40 0 DDABRP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@H+](Cc4ccoc4)C[C@@H]32)CC1 ZINC000096056257 407229546 /nfs/dbraw/zinc/22/95/46/407229546.db2.gz RRQUDCAZBCAIBP-OKZBNKHCSA-N 2 0 319.449 1.364 40 0 DDABRP C[NH+](C)CCN1CCC2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000096157744 407241572 /nfs/dbraw/zinc/24/15/72/407241572.db2.gz WBIOPYKUTFKYCD-UHFFFAOYSA-N 2 0 316.449 1.458 40 0 DDABRP C[NH+](C)CCN1CCO[C@@H]2CC[N@H+](Cc3cccs3)CC[C@H]21 ZINC000248056667 408531909 /nfs/dbraw/zinc/53/19/09/408531909.db2.gz YGYJZNXSFYERDM-IAGOWNOFSA-N 2 0 323.506 1.975 40 0 DDABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079394282 185168739 /nfs/dbraw/zinc/16/87/39/185168739.db2.gz MBHIXGUSEKELLO-IRXDYDNUSA-N 2 0 303.450 1.950 40 0 DDABRP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000107202974 407371103 /nfs/dbraw/zinc/37/11/03/407371103.db2.gz XSOMKTSMCNNMHK-NJAFHUGGSA-N 2 0 316.449 1.455 40 0 DDABRP Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC000306143576 409774301 /nfs/dbraw/zinc/77/43/01/409774301.db2.gz YFWKFUIRISIYMQ-INIZCTEOSA-N 2 0 317.433 1.064 40 0 DDABRP Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306127449 231086478 /nfs/dbraw/zinc/08/64/78/231086478.db2.gz FYWBHXJWXMCKLY-OAHLLOKOSA-N 2 0 303.406 1.386 40 0 DDABRP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051938 407228108 /nfs/dbraw/zinc/22/81/08/407228108.db2.gz MGSOSEMGQBJQTO-AEFFLSMTSA-N 2 0 322.424 1.995 40 0 DDABRP C[N@H+](CC(=O)NCc1c[nH]c([C@H]2CC[NH+](C)C2)n1)C1CCCC1 ZINC000257257015 407524263 /nfs/dbraw/zinc/52/42/63/407524263.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 0 319.453 1.319 40 0 DDABRP COC[C@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CC[NH+](C1CCC1)CC2 ZINC000096206130 293190101 /nfs/dbraw/zinc/19/01/01/293190101.db2.gz KTBIINOFXGHMMU-MRXNPFEDSA-N 2 0 323.481 1.430 40 0 DDABRP COCC[NH2+]CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000035313633 406970976 /nfs/dbraw/zinc/97/09/76/406970976.db2.gz ONKVTESNDNWXCV-UHFFFAOYSA-N 2 0 305.422 1.847 40 0 DDABRP C[NH+](C)CCN1CCOCC2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000096239841 407254782 /nfs/dbraw/zinc/25/47/82/407254782.db2.gz VBYDCEMTZMWFMI-UHFFFAOYSA-N 2 0 321.465 1.756 40 0 DDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096056482 407231263 /nfs/dbraw/zinc/23/12/63/407231263.db2.gz NMKGLHLUBZYYTE-HZPDHXFCSA-N 2 0 309.454 1.040 40 0 DDABRP c1nc2n(c1C[NH+]1CCCC1)CCN(CC[NH+]1CCCC1)CC2 ZINC000096196872 407246655 /nfs/dbraw/zinc/24/66/55/407246655.db2.gz SXUKNUNZFWADSU-UHFFFAOYSA-N 2 0 317.481 1.433 40 0 DDABRP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096196870 407246738 /nfs/dbraw/zinc/24/67/38/407246738.db2.gz MMPSOXVHPKLLMZ-HNNXBMFYSA-N 2 0 304.438 1.374 40 0 DDABRP COc1cc(C[N@@H+]2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)cc(OC)c1 ZINC000247980368 408523584 /nfs/dbraw/zinc/52/35/84/408523584.db2.gz JIUCXKKBTVWHJH-ZTFGCOKTSA-N 2 0 320.433 1.712 40 0 DDABRP CC(=O)NCC[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000119605083 195000952 /nfs/dbraw/zinc/00/09/52/195000952.db2.gz ZSFRRKZHEZIXGS-SQNIBIBYSA-N 2 0 301.434 1.623 40 0 DDABRP CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)C1(C[NH3+])C[NH3+] ZINC000218373830 257130962 /nfs/dbraw/zinc/13/09/62/257130962.db2.gz YLZCHGYBXIGPRL-RYUDHWBXSA-N 2 0 302.827 1.144 40 0 DDABRP C[C@@H]([NH3+])C(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](C)CC2)C1 ZINC000072394790 406881622 /nfs/dbraw/zinc/88/16/22/406881622.db2.gz YCNQXHSTPRIQLA-KDOFPFPSSA-N 2 0 317.433 1.609 40 0 DDABRP C1C[NH+]([C@@H]2CC[C@@H]3S[C@H]2CC[C@@H]3[NH+]2CCOCC2)CCO1 ZINC000035904208 406975875 /nfs/dbraw/zinc/97/58/75/406975875.db2.gz AISSRCQTANXUHV-FZKCQIBNSA-N 2 0 312.479 1.446 40 0 DDABRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415644 185170634 /nfs/dbraw/zinc/17/06/34/185170634.db2.gz MKTFKZXKTYBMSP-YOEHRIQHSA-N 2 0 301.434 1.989 40 0 DDABRP O[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1 ZINC000072394704 191149363 /nfs/dbraw/zinc/14/93/63/191149363.db2.gz PRGUSTUJRDFUNH-KGLIPLIRSA-N 2 0 314.433 1.987 40 0 DDABRP C[NH+](C)CCN1CCC2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096046781 407227035 /nfs/dbraw/zinc/22/70/35/407227035.db2.gz YXZKVWLLHIDQEG-UHFFFAOYSA-N 2 0 305.422 1.656 40 0 DDABRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000299853158 410641320 /nfs/dbraw/zinc/64/13/20/410641320.db2.gz GPXOGPUSWKNCEN-HZPDHXFCSA-N 2 0 317.433 1.626 40 0 DDABRP C[C@@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC000252486325 354383382 /nfs/dbraw/zinc/38/33/82/354383382.db2.gz ILXKADWHYPCQNI-MAXJFLJGSA-N 2 0 310.482 1.728 40 0 DDABRP C(C[C@H]1CCC[NH2+]C1)c1nc(N2CCCC2)nc2c1C[NH2+]CC2 ZINC000019015012 406885589 /nfs/dbraw/zinc/88/55/89/406885589.db2.gz FCZGGDMTTUQECS-CQSZACIVSA-N 2 0 315.465 1.655 40 0 DDABRP C[C@H]([NH3+])C(=O)N1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415652 185170577 /nfs/dbraw/zinc/17/05/77/185170577.db2.gz YTLJKJZOUDPNIX-AWEZNQCLSA-N 2 0 301.434 1.989 40 0 DDABRP [NH3+]C[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257284051 203012457 /nfs/dbraw/zinc/01/24/57/203012457.db2.gz PBBNJGNEXVGBIC-OKZBNKHCSA-N 2 0 304.434 1.519 40 0 DDABRP CC[NH+](CC)Cc1cnc2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096196836 407246951 /nfs/dbraw/zinc/24/69/51/407246951.db2.gz VTLZAYQCAMSRSF-OAHLLOKOSA-N 2 0 306.454 1.620 40 0 DDABRP COc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC000107198933 407370432 /nfs/dbraw/zinc/37/04/32/407370432.db2.gz RHBSKZYEZKBUBK-CVEARBPZSA-N 2 0 304.438 1.300 40 0 DDABRP