smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H]([NH2+]C2CCCC2)[C@H]1O ZINC000514288818 257216206 /nfs/dbraw/zinc/21/62/06/257216206.db2.gz FMWHOSLLOOJJCV-GBESFXJTSA-N 2 1 318.461 1.821 40 0 biogenic,in-vitro DDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000096052300 407228535 /nfs/dbraw/zinc/22/85/35/407228535.db2.gz ICJZIWPIGQDQOU-SJORKVTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000096052300 407228536 /nfs/dbraw/zinc/22/85/36/407228536.db2.gz ICJZIWPIGQDQOU-SJORKVTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000096188956 407246565 /nfs/dbraw/zinc/24/65/65/407246565.db2.gz DZAGDDQGTJKPFN-INIZCTEOSA-N 2 1 318.421 1.686 40 0 DDABMP C[NH+](C)CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000096188956 407246568 /nfs/dbraw/zinc/24/65/68/407246568.db2.gz DZAGDDQGTJKPFN-INIZCTEOSA-N 2 1 318.421 1.686 40 0 DDABMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)o1 ZINC000096201645 407248956 /nfs/dbraw/zinc/24/89/56/407248956.db2.gz KMWUXLOEVTWSOW-RDTXWAMCSA-N 2 1 319.449 1.820 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096051955 407228570 /nfs/dbraw/zinc/22/85/70/407228570.db2.gz OQJCBXBLCURDSG-DLBZAZTESA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096051955 407228571 /nfs/dbraw/zinc/22/85/71/407228571.db2.gz OQJCBXBLCURDSG-DLBZAZTESA-N 2 1 305.422 1.251 40 0 DDABMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[NH+]1CCCC1 ZINC000257244964 407518682 /nfs/dbraw/zinc/51/86/82/407518682.db2.gz INMVPDPTQMSALH-HNNXBMFYSA-N 2 1 303.406 1.264 40 0 DDABMP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@@H+](CC1CC1)C2 ZINC000096060875 407231911 /nfs/dbraw/zinc/23/19/11/407231911.db2.gz PBCYHRRBGBOFSI-AWEZNQCLSA-N 2 1 307.442 1.185 40 0 DDABMP CC(=O)NC1CCN(c2cc[nH+]c(C3CC[NH2+]CC3)c2)CC1 ZINC000072365371 191134523 /nfs/dbraw/zinc/13/45/23/191134523.db2.gz CVLYDULYDJOIKL-UHFFFAOYSA-N 2 1 302.422 1.654 40 0 DDABMP COCC[N@H+]1CC[C@H](C(=O)N(C)CC[NH+](C)C2CCCC2)C1 ZINC000952991111 721533540 /nfs/dbraw/zinc/53/35/40/721533540.db2.gz MKFFQHKKUWDMNY-HNNXBMFYSA-N 2 1 311.470 1.288 40 0 DDABMP COCC[NH+]1CC[C@H](C(=O)N(C)CC[N@H+](C)C2CCCC2)C1 ZINC000952991111 721533542 /nfs/dbraw/zinc/53/35/42/721533542.db2.gz MKFFQHKKUWDMNY-HNNXBMFYSA-N 2 1 311.470 1.288 40 0 DDABMP COCC[NH+]1CC[C@H](C(=O)N(C)CC[N@@H+](C)C2CCCC2)C1 ZINC000952991111 721533543 /nfs/dbraw/zinc/53/35/43/721533543.db2.gz MKFFQHKKUWDMNY-HNNXBMFYSA-N 2 1 311.470 1.288 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051924 407228041 /nfs/dbraw/zinc/22/80/41/407228041.db2.gz AHMCWAIJFFOKDU-CVEARBPZSA-N 2 1 310.463 1.917 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051925 407228532 /nfs/dbraw/zinc/22/85/32/407228532.db2.gz AHMCWAIJFFOKDU-JKSUJKDBSA-N 2 1 310.463 1.917 40 0 DDABMP C[NH+](C)CCOCc1nnc2n1CC[N@@H+](Cc1ccco1)CC2 ZINC000096058862 407231087 /nfs/dbraw/zinc/23/10/87/407231087.db2.gz IUHHVKJPROOJOZ-UHFFFAOYSA-N 2 1 319.409 1.008 40 0 DDABMP C[NH+](C)CCOCc1nnc2n1CC[N@H+](Cc1ccco1)CC2 ZINC000096058862 407231089 /nfs/dbraw/zinc/23/10/89/407231089.db2.gz IUHHVKJPROOJOZ-UHFFFAOYSA-N 2 1 319.409 1.008 40 0 DDABMP C[NH+](C)CCOCc1cncc2c1CC[N@H+](C1CCOCC1)C2 ZINC000096189352 407246756 /nfs/dbraw/zinc/24/67/56/407246756.db2.gz GLPNPEIQXWGJRC-UHFFFAOYSA-N 2 1 319.449 1.697 40 0 DDABMP C[NH+](C)CCOCc1cncc2c1CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000096189350 407246843 /nfs/dbraw/zinc/24/68/43/407246843.db2.gz CMDMRHBVMQIGQD-MRXNPFEDSA-N 2 1 305.422 1.307 40 0 DDABMP C[NH+](C)CCOCc1cncc2c1CC[N@H+]([C@@H]1CCOC1)C2 ZINC000096189350 407246844 /nfs/dbraw/zinc/24/68/44/407246844.db2.gz CMDMRHBVMQIGQD-MRXNPFEDSA-N 2 1 305.422 1.307 40 0 DDABMP c1coc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052010 407228648 /nfs/dbraw/zinc/22/86/48/407228648.db2.gz BLHKWOAXPKTBKR-SJLPKXTDSA-N 2 1 320.433 1.983 40 0 DDABMP c1coc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052010 407228649 /nfs/dbraw/zinc/22/86/49/407228649.db2.gz BLHKWOAXPKTBKR-SJLPKXTDSA-N 2 1 320.433 1.983 40 0 DDABMP c1coc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)c1 ZINC000096056208 407229218 /nfs/dbraw/zinc/22/92/18/407229218.db2.gz JIKWBXCACBEJSN-OIISXLGYSA-N 2 1 306.406 1.449 40 0 DDABMP c1coc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)c1 ZINC000096056208 407229220 /nfs/dbraw/zinc/22/92/20/407229220.db2.gz JIKWBXCACBEJSN-OIISXLGYSA-N 2 1 306.406 1.449 40 0 DDABMP Cn1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cn1 ZINC000096100552 407237027 /nfs/dbraw/zinc/23/70/27/407237027.db2.gz KYZPDFYLVCNCSM-UHFFFAOYSA-N 2 1 314.437 1.271 40 0 DDABMP O=C1CC[C@H]2[C@H](CC[N@H+]2C[C@@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000096186303 407245855 /nfs/dbraw/zinc/24/58/55/407245855.db2.gz YHJWVJBUGLKXFQ-ULQDDVLXSA-N 2 1 321.465 1.184 40 0 DDABMP CC[NH+](CC)Cc1cnc2n1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096196835 407246476 /nfs/dbraw/zinc/24/64/76/407246476.db2.gz VTLZAYQCAMSRSF-HNNXBMFYSA-N 2 1 306.454 1.620 40 0 DDABMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCCC1 ZINC000257317759 295392361 /nfs/dbraw/zinc/39/23/61/295392361.db2.gz VLABIEPRZDFWEW-INIZCTEOSA-N 2 1 317.433 1.654 40 0 DDABMP c1ccc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH2+]C3)nc1 ZINC000306125191 534490033 /nfs/dbraw/zinc/49/00/33/534490033.db2.gz CIOMOXDUAKJLAK-WMZOPIPTSA-N 2 1 301.434 1.920 40 0 DDABMP C[C@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000095443133 185366942 /nfs/dbraw/zinc/36/69/42/185366942.db2.gz ILXKADWHYPCQNI-QAOFUZHOSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443133 185366943 /nfs/dbraw/zinc/36/69/43/185366943.db2.gz ILXKADWHYPCQNI-QAOFUZHOSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443133 185366944 /nfs/dbraw/zinc/36/69/44/185366944.db2.gz ILXKADWHYPCQNI-QAOFUZHOSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(C)(C)C[NH+]1CCN(C)CC1 ZINC000072324697 191123564 /nfs/dbraw/zinc/12/35/64/191123564.db2.gz JYFPATKCZICVIM-SJORKVTESA-N 2 1 308.514 1.429 40 0 DDABMP C[C@H]([NH3+])C(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](C)CC2)C1 ZINC000072394791 406882097 /nfs/dbraw/zinc/88/20/97/406882097.db2.gz YCNQXHSTPRIQLA-KBXCAEBGSA-N 2 1 317.433 1.609 40 0 DDABMP [NH3+]CC(=O)N1CCCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079391057 407053868 /nfs/dbraw/zinc/05/38/68/407053868.db2.gz HFDZGYCUFSJDGY-QGZVFWFLSA-N 2 1 301.434 1.991 40 0 DDABMP C[NH+](C)CCOCc1ncn2c1C[N@H+](C1CCOCC1)CCC2 ZINC000096085054 407235993 /nfs/dbraw/zinc/23/59/93/407235993.db2.gz CITZPXZJXPKLGJ-UHFFFAOYSA-N 2 1 322.453 1.346 40 0 DDABMP C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[NH+]1CCCC1 ZINC000257300350 290289526 /nfs/dbraw/zinc/28/95/26/290289526.db2.gz RTYOEVCLDZIVJH-UIBIWLFHSA-N 2 1 305.466 1.946 40 0 DDABMP O=C1[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2CN1CC[NH+]1CCCC1 ZINC000096245052 407254986 /nfs/dbraw/zinc/25/49/86/407254986.db2.gz BMQWVXWNWJYIKP-HOTGVXAUSA-N 2 1 303.406 1.266 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096051953 407228553 /nfs/dbraw/zinc/22/85/53/407228553.db2.gz OQJCBXBLCURDSG-IRXDYDNUSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096051953 407228554 /nfs/dbraw/zinc/22/85/54/407228554.db2.gz OQJCBXBLCURDSG-IRXDYDNUSA-N 2 1 305.422 1.251 40 0 DDABMP [NH3+]CC(=O)N1CCCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079391054 303365454 /nfs/dbraw/zinc/36/54/54/303365454.db2.gz HFDZGYCUFSJDGY-KRWDZBQOSA-N 2 1 301.434 1.991 40 0 DDABMP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(C)C[N@H+](C)CCO1 ZINC000072378286 191141717 /nfs/dbraw/zinc/14/17/17/191141717.db2.gz JWBFHRAOEVZCQB-KRWDZBQOSA-N 2 1 305.422 1.085 40 0 DDABMP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(C)C[N@@H+](C)CCO1 ZINC000072378286 191141718 /nfs/dbraw/zinc/14/17/18/191141718.db2.gz JWBFHRAOEVZCQB-KRWDZBQOSA-N 2 1 305.422 1.085 40 0 DDABMP C[N@H+]1CCC[C@H](NC(=O)c2ccccc2-n2cnc(C[NH3+])c2)C1 ZINC000257319273 203043237 /nfs/dbraw/zinc/04/32/37/203043237.db2.gz VRPYWDXRJRMEOJ-ZDUSSCGKSA-N 2 1 313.405 1.155 40 0 DDABMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4c(c3)OCO4)CC[C@@H]2C1 ZINC000096249564 407255623 /nfs/dbraw/zinc/25/56/23/407255623.db2.gz RUDXICLZCGIOTM-CRAIPNDOSA-N 2 1 318.417 1.958 40 0 DDABMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]2C1 ZINC000096249564 407255624 /nfs/dbraw/zinc/25/56/24/407255624.db2.gz RUDXICLZCGIOTM-CRAIPNDOSA-N 2 1 318.417 1.958 40 0 DDABMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]2C1 ZINC000096249564 407255626 /nfs/dbraw/zinc/25/56/26/407255626.db2.gz RUDXICLZCGIOTM-CRAIPNDOSA-N 2 1 318.417 1.958 40 0 DDABMP Cc1nnc2n1C1(CC[NH+](Cc3ccccn3)CC1)C[N@H+](C)C2 ZINC000306138514 282351823 /nfs/dbraw/zinc/35/18/23/282351823.db2.gz RZGCGFUMXOEAPX-UHFFFAOYSA-N 2 1 312.421 1.418 40 0 DDABMP Cc1nnc2n1C1(CC[NH+](Cc3ccccn3)CC1)C[N@@H+](C)C2 ZINC000306138514 282351827 /nfs/dbraw/zinc/35/18/27/282351827.db2.gz RZGCGFUMXOEAPX-UHFFFAOYSA-N 2 1 312.421 1.418 40 0 DDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000096056477 193507274 /nfs/dbraw/zinc/50/72/74/193507274.db2.gz TWTAANOBILOVQH-HZPDHXFCSA-N 2 1 302.422 1.209 40 0 DDABMP COc1cccc(NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306143281 533611158 /nfs/dbraw/zinc/61/11/58/533611158.db2.gz XXRCTXYQTHZZQG-HNNXBMFYSA-N 2 1 319.405 1.087 40 0 DDABMP C[C@H]([NH3+])C(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](C)CC2)C1 ZINC000072394789 406881647 /nfs/dbraw/zinc/88/16/47/406881647.db2.gz YCNQXHSTPRIQLA-KSSFIOAISA-N 2 1 317.433 1.609 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000096160179 407241005 /nfs/dbraw/zinc/24/10/05/407241005.db2.gz IWXKGMUKUPLKFK-IAGOWNOFSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000096160179 407241009 /nfs/dbraw/zinc/24/10/09/407241009.db2.gz IWXKGMUKUPLKFK-IAGOWNOFSA-N 2 1 305.422 1.393 40 0 DDABMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000096185641 353914212 /nfs/dbraw/zinc/91/42/12/353914212.db2.gz GVLZGEQQVWRTNN-NCOADZHNSA-N 2 1 319.453 1.240 40 0 DDABMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000096185641 353914213 /nfs/dbraw/zinc/91/42/13/353914213.db2.gz GVLZGEQQVWRTNN-NCOADZHNSA-N 2 1 319.453 1.240 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000096185641 353914215 /nfs/dbraw/zinc/91/42/15/353914215.db2.gz GVLZGEQQVWRTNN-NCOADZHNSA-N 2 1 319.453 1.240 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000096185641 353914216 /nfs/dbraw/zinc/91/42/16/353914216.db2.gz GVLZGEQQVWRTNN-NCOADZHNSA-N 2 1 319.453 1.240 40 0 DDABMP C[NH+]1CCN(C(=O)c2ncccc2-c2cccc(C[NH3+])c2)CC1 ZINC000257332620 203054871 /nfs/dbraw/zinc/05/48/71/203054871.db2.gz XYAXDSMNMDZIPK-UHFFFAOYSA-N 2 1 310.401 1.595 40 0 DDABMP CCc1[nH+]ccn1CCC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257321755 203045348 /nfs/dbraw/zinc/04/53/48/203045348.db2.gz WDCIWGQRRIAQNP-LSDHHAIUSA-N 2 1 304.438 1.826 40 0 DDABMP Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)C[NH+](C)C)C[C@H]3C2)cc1 ZINC000096063661 407232764 /nfs/dbraw/zinc/23/27/64/407232764.db2.gz AGKYILHEMFUUNM-CALCHBBNSA-N 2 1 301.434 1.447 40 0 DDABMP C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000257208543 407495068 /nfs/dbraw/zinc/49/50/68/407495068.db2.gz BMPFXLYYEGXHOS-KRWDZBQOSA-N 2 1 301.434 1.844 40 0 DDABMP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000257208543 407495072 /nfs/dbraw/zinc/49/50/72/407495072.db2.gz BMPFXLYYEGXHOS-KRWDZBQOSA-N 2 1 301.434 1.844 40 0 DDABMP c1ccc(NC[C@@H]2CO[C@@H]3C[N@H+](C4CCOCC4)C[C@H]23)nc1 ZINC000248032636 408526538 /nfs/dbraw/zinc/52/65/38/408526538.db2.gz IMHMNGLWDNHAHH-FVQBIDKESA-N 2 1 303.406 1.619 40 0 DDABMP Cc1cccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)n1 ZINC000248157361 408539218 /nfs/dbraw/zinc/53/92/18/408539218.db2.gz ZQZVEFVKZAZYMR-ROUUACIJSA-N 2 1 319.449 1.702 40 0 DDABMP Cc1cccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)n1 ZINC000248157361 408539223 /nfs/dbraw/zinc/53/92/23/408539223.db2.gz ZQZVEFVKZAZYMR-ROUUACIJSA-N 2 1 319.449 1.702 40 0 DDABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415647 279391951 /nfs/dbraw/zinc/39/19/51/279391951.db2.gz MKTFKZXKTYBMSP-WMLDXEAASA-N 2 1 301.434 1.989 40 0 DDABMP C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000082311166 185175005 /nfs/dbraw/zinc/17/50/05/185175005.db2.gz ABQRJCSOIFITCQ-QGZVFWFLSA-N 2 1 301.434 1.673 40 0 DDABMP C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000082311166 185175006 /nfs/dbraw/zinc/17/50/06/185175006.db2.gz ABQRJCSOIFITCQ-QGZVFWFLSA-N 2 1 301.434 1.673 40 0 DDABMP C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1cc[nH+]cc1 ZINC000019575983 182131230 /nfs/dbraw/zinc/13/12/30/182131230.db2.gz ZILSGYILLUEJIY-BMGDILEWSA-N 2 1 312.417 1.512 40 0 DDABMP CCCC[N@@H+](C)C[C@@H]1OC[C@H]([NH2+]C2Cc3ccccc3C2)[C@H]1O ZINC000514289086 257216250 /nfs/dbraw/zinc/21/62/50/257216250.db2.gz NQAOTHYIPJIXGJ-GBESFXJTSA-N 2 1 318.461 1.604 40 0 biogenic,in-vitro DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096051949 407228398 /nfs/dbraw/zinc/22/83/98/407228398.db2.gz CPEBGDBPPODJBJ-IRXDYDNUSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096051949 407228399 /nfs/dbraw/zinc/22/83/99/407228399.db2.gz CPEBGDBPPODJBJ-IRXDYDNUSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccs1 ZINC000096056470 407229736 /nfs/dbraw/zinc/22/97/36/407229736.db2.gz FNFUBCRFPFWZLA-HUUCEWRRSA-N 2 1 307.463 1.875 40 0 DDABMP COC[C@@H]1CC2(C[N@H+]1CC(=O)N(C)C)CC[NH+](C1CCC1)CC2 ZINC000096206132 407249314 /nfs/dbraw/zinc/24/93/14/407249314.db2.gz KTBIINOFXGHMMU-INIZCTEOSA-N 2 1 323.481 1.430 40 0 DDABMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000248028489 408528563 /nfs/dbraw/zinc/52/85/63/408528563.db2.gz WTAQGHUSQUMQGU-BDXSIMOUSA-N 2 1 318.465 1.845 40 0 DDABMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000248028489 408528567 /nfs/dbraw/zinc/52/85/67/408528567.db2.gz WTAQGHUSQUMQGU-BDXSIMOUSA-N 2 1 318.465 1.845 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000248028489 408528572 /nfs/dbraw/zinc/52/85/72/408528572.db2.gz WTAQGHUSQUMQGU-BDXSIMOUSA-N 2 1 318.465 1.845 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000248028489 408528577 /nfs/dbraw/zinc/52/85/77/408528577.db2.gz WTAQGHUSQUMQGU-BDXSIMOUSA-N 2 1 318.465 1.845 40 0 DDABMP Cc1cccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)n1 ZINC000248157364 408541180 /nfs/dbraw/zinc/54/11/80/408541180.db2.gz ZQZVEFVKZAZYMR-ZWKOTPCHSA-N 2 1 319.449 1.702 40 0 DDABMP Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)n1 ZINC000248157364 408541183 /nfs/dbraw/zinc/54/11/83/408541183.db2.gz ZQZVEFVKZAZYMR-ZWKOTPCHSA-N 2 1 319.449 1.702 40 0 DDABMP C[NH+](C)CCN1CCO[C@@H]2CC[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096249258 407256342 /nfs/dbraw/zinc/25/63/42/407256342.db2.gz YGYJZNXSFYERDM-DLBZAZTESA-N 2 1 323.506 1.975 40 0 DDABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2ccncc2)[C@@H]2CCCO[C@@H]21 ZINC000096057457 407230636 /nfs/dbraw/zinc/23/06/36/407230636.db2.gz LEIIOBVFEWFWDY-IKGGRYGDSA-N 2 1 305.422 1.392 40 0 DDABMP c1cn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3CC2CCOCC2)cn1 ZINC000253476828 407452280 /nfs/dbraw/zinc/45/22/80/407452280.db2.gz BOPKJIKXOJLDEX-BBWFWOEESA-N 2 1 305.422 1.789 40 0 DDABMP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2cccs2)[C@@H]1O ZINC000952844732 775565902 /nfs/dbraw/zinc/56/59/02/775565902.db2.gz HTRIDOAMTCLHMW-ARILJUKYSA-N 2 1 321.402 1.069 40 0 biogenic,in-vitro DDABMP C[C@@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695561 194350466 /nfs/dbraw/zinc/35/04/66/194350466.db2.gz ILXKADWHYPCQNI-HLXXEPFRSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@@H]1CC[C@@H](CO)C[N@H+]1C/C=C/C[NH+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695561 194350468 /nfs/dbraw/zinc/35/04/68/194350468.db2.gz ILXKADWHYPCQNI-HLXXEPFRSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1C/C=C/C[NH+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695561 194350471 /nfs/dbraw/zinc/35/04/71/194350471.db2.gz ILXKADWHYPCQNI-HLXXEPFRSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415625 407054017 /nfs/dbraw/zinc/05/40/17/407054017.db2.gz ZLOPRPKMUOQPSM-YOEHRIQHSA-N 2 1 301.434 1.989 40 0 DDABMP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CN1CC[NH+]1CCCC1 ZINC000096245060 407254770 /nfs/dbraw/zinc/25/47/70/407254770.db2.gz GZAZWYWEQLMDJF-ROUUACIJSA-N 2 1 313.445 1.673 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051921 407228184 /nfs/dbraw/zinc/22/81/84/407228184.db2.gz AITYZCRPJUQZFC-GOEBONIOSA-N 2 1 310.463 1.917 40 0 DDABMP COc1cccc(NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306143282 533611780 /nfs/dbraw/zinc/61/17/80/533611780.db2.gz XXRCTXYQTHZZQG-OAHLLOKOSA-N 2 1 319.405 1.087 40 0 DDABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415622 407054607 /nfs/dbraw/zinc/05/46/07/407054607.db2.gz ZLOPRPKMUOQPSM-WMLDXEAASA-N 2 1 301.434 1.989 40 0 DDABMP O=c1[nH]c(C2CC[NH2+]CC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000019372317 285195749 /nfs/dbraw/zinc/19/57/49/285195749.db2.gz JEQPAUBQWGXAFD-UHFFFAOYSA-N 2 1 324.428 1.795 40 0 DDABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000030946695 406936604 /nfs/dbraw/zinc/93/66/04/406936604.db2.gz YZKWJZISCYONRR-UHFFFAOYSA-N 2 1 300.406 1.921 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000247945725 408517188 /nfs/dbraw/zinc/51/71/88/408517188.db2.gz BABJFZUNUDAGBC-KSZLIROESA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000247945725 408517191 /nfs/dbraw/zinc/51/71/91/408517191.db2.gz BABJFZUNUDAGBC-KSZLIROESA-N 2 1 319.449 1.639 40 0 DDABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404630 185169765 /nfs/dbraw/zinc/16/97/65/185169765.db2.gz FXGINOAOKXSQDN-IRXDYDNUSA-N 2 1 303.450 1.998 40 0 DDABMP C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495898 257120515 /nfs/dbraw/zinc/12/05/15/257120515.db2.gz GRTFZUQMANCAGR-ZIAGYGMSSA-N 2 1 308.422 1.795 40 0 DDABMP C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495898 257120517 /nfs/dbraw/zinc/12/05/17/257120517.db2.gz GRTFZUQMANCAGR-ZIAGYGMSSA-N 2 1 308.422 1.795 40 0 DDABMP c1cn(-c2cncc([C@H]3CCC[N@H+](Cc4cc[nH]n4)C3)n2)cn1 ZINC000257200940 407490502 /nfs/dbraw/zinc/49/05/02/407490502.db2.gz AFKDBPIPYSQKAD-ZDUSSCGKSA-N 2 1 309.377 1.765 40 0 DDABMP c1coc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)c1 ZINC000096249662 407255868 /nfs/dbraw/zinc/25/58/68/407255868.db2.gz HSTOIEOXROIXEO-CRAIPNDOSA-N 2 1 320.433 1.981 40 0 DDABMP c1coc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)c1 ZINC000096249662 407255870 /nfs/dbraw/zinc/25/58/70/407255870.db2.gz HSTOIEOXROIXEO-CRAIPNDOSA-N 2 1 320.433 1.981 40 0 DDABMP c1coc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)c1 ZINC000096249662 407255872 /nfs/dbraw/zinc/25/58/72/407255872.db2.gz HSTOIEOXROIXEO-CRAIPNDOSA-N 2 1 320.433 1.981 40 0 DDABMP c1coc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)c1 ZINC000096249662 407255873 /nfs/dbraw/zinc/25/58/73/407255873.db2.gz HSTOIEOXROIXEO-CRAIPNDOSA-N 2 1 320.433 1.981 40 0 DDABMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccnc3OC)CC[C@@H]2C1 ZINC000096249565 407255899 /nfs/dbraw/zinc/25/58/99/407255899.db2.gz PUHUOJYPBFPRNC-GDBMZVCRSA-N 2 1 305.422 1.633 40 0 DDABMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccnc3OC)CC[C@@H]2C1 ZINC000096249565 407255901 /nfs/dbraw/zinc/25/59/01/407255901.db2.gz PUHUOJYPBFPRNC-GDBMZVCRSA-N 2 1 305.422 1.633 40 0 DDABMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccnc3OC)CC[C@@H]2C1 ZINC000096249565 407255902 /nfs/dbraw/zinc/25/59/02/407255902.db2.gz PUHUOJYPBFPRNC-GDBMZVCRSA-N 2 1 305.422 1.633 40 0 DDABMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccnc3OC)CC[C@@H]2C1 ZINC000096249565 407255904 /nfs/dbraw/zinc/25/59/04/407255904.db2.gz PUHUOJYPBFPRNC-GDBMZVCRSA-N 2 1 305.422 1.633 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051919 407227732 /nfs/dbraw/zinc/22/77/32/407227732.db2.gz AITYZCRPJUQZFC-HOCLYGCPSA-N 2 1 310.463 1.917 40 0 DDABMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096196643 407246626 /nfs/dbraw/zinc/24/66/26/407246626.db2.gz NTGGRKKTVHACJH-UHFFFAOYSA-N 2 1 315.417 1.604 40 0 DDABMP C[C@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695557 194350207 /nfs/dbraw/zinc/35/02/07/194350207.db2.gz ILXKADWHYPCQNI-IAWBDPGVSA-N 2 1 310.482 1.728 40 0 DDABMP Cc1ccc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C(=O)[C@H]3C2)s1 ZINC000096244962 407254881 /nfs/dbraw/zinc/25/48/81/407254881.db2.gz FTVUUDRAGCQNFB-ZFWWWQNUSA-N 2 1 307.463 1.508 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)o1 ZINC000096052281 407228175 /nfs/dbraw/zinc/22/81/75/407228175.db2.gz KTIYUUNGQLRBBI-SJORKVTESA-N 2 1 308.422 1.900 40 0 DDABMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)cn1 ZINC000096054163 407229419 /nfs/dbraw/zinc/22/94/19/407229419.db2.gz FZFYAONGFWKYOG-CVEARBPZSA-N 2 1 300.406 1.967 40 0 DDABMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)cn1 ZINC000096054163 407229422 /nfs/dbraw/zinc/22/94/22/407229422.db2.gz FZFYAONGFWKYOG-CVEARBPZSA-N 2 1 300.406 1.967 40 0 DDABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccco4)C[C@@H]3C2)cn1 ZINC000096054163 407229425 /nfs/dbraw/zinc/22/94/25/407229425.db2.gz FZFYAONGFWKYOG-CVEARBPZSA-N 2 1 300.406 1.967 40 0 DDABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccco4)C[C@@H]3C2)cn1 ZINC000096054163 407229427 /nfs/dbraw/zinc/22/94/27/407229427.db2.gz FZFYAONGFWKYOG-CVEARBPZSA-N 2 1 300.406 1.967 40 0 DDABMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000000203745 406631052 /nfs/dbraw/zinc/63/10/52/406631052.db2.gz WMCRUOUJDVCHSC-KRWDZBQOSA-N 2 1 301.434 1.673 40 0 DDABMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000000203745 406631054 /nfs/dbraw/zinc/63/10/54/406631054.db2.gz WMCRUOUJDVCHSC-KRWDZBQOSA-N 2 1 301.434 1.673 40 0 DDABMP NC(=O)C[NH+]1CCC([C@H]2CCCC[N@@H+]2Cc2ccccn2)CC1 ZINC000072367848 191136249 /nfs/dbraw/zinc/13/62/49/191136249.db2.gz MQKPZEJESRFKKZ-QGZVFWFLSA-N 2 1 316.449 1.633 40 0 DDABMP NC(=O)C[NH+]1CCC([C@H]2CCCC[N@H+]2Cc2ccccn2)CC1 ZINC000072367848 191136251 /nfs/dbraw/zinc/13/62/51/191136251.db2.gz MQKPZEJESRFKKZ-QGZVFWFLSA-N 2 1 316.449 1.633 40 0 DDABMP C1OC2(C[C@@H]1[NH+]1CCC([NH+]3CCCCC3)CC1)CC[NH2+]CC2 ZINC000019201485 406885102 /nfs/dbraw/zinc/88/51/02/406885102.db2.gz ZREJDHYRNJQOCB-KRWDZBQOSA-N 3 1 307.482 1.848 40 0 DDABMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000096249720 407256054 /nfs/dbraw/zinc/25/60/54/407256054.db2.gz SQFTZERPTGBNTH-KZNAEPCWSA-N 2 1 317.433 1.393 40 0 DDABMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000096249720 407256056 /nfs/dbraw/zinc/25/60/56/407256056.db2.gz SQFTZERPTGBNTH-KZNAEPCWSA-N 2 1 317.433 1.393 40 0 DDABMP c1cc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000096249720 407256058 /nfs/dbraw/zinc/25/60/58/407256058.db2.gz SQFTZERPTGBNTH-KZNAEPCWSA-N 2 1 317.433 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051937 407228475 /nfs/dbraw/zinc/22/84/75/407228475.db2.gz MGSOSEMGQBJQTO-WMZOPIPTSA-N 2 1 322.424 1.995 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000096052297 407228524 /nfs/dbraw/zinc/22/85/24/407228524.db2.gz ICJZIWPIGQDQOU-DLBZAZTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000096052297 407228526 /nfs/dbraw/zinc/22/85/26/407228526.db2.gz ICJZIWPIGQDQOU-DLBZAZTESA-N 2 1 305.422 1.393 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C)CO3)C2)o1 ZINC000096051934 407228610 /nfs/dbraw/zinc/22/86/10/407228610.db2.gz DYLCPCYQUOSQBJ-NVXWUHKLSA-N 2 1 308.422 1.757 40 0 DDABMP Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306127448 231085111 /nfs/dbraw/zinc/08/51/11/231085111.db2.gz FYWBHXJWXMCKLY-HNNXBMFYSA-N 2 1 303.406 1.386 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051946 407228658 /nfs/dbraw/zinc/22/86/58/407228658.db2.gz HSJPIXOFMDWNDM-WBVHZDCISA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051946 407228659 /nfs/dbraw/zinc/22/86/59/407228659.db2.gz HSJPIXOFMDWNDM-WBVHZDCISA-N 2 1 305.422 1.251 40 0 DDABMP CN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC000306135607 529998674 /nfs/dbraw/zinc/99/86/74/529998674.db2.gz OVWARDFCQIAIDW-INIZCTEOSA-N 2 1 317.433 1.098 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000096052298 407228389 /nfs/dbraw/zinc/22/83/89/407228389.db2.gz ICJZIWPIGQDQOU-IAGOWNOFSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000096052298 407228391 /nfs/dbraw/zinc/22/83/91/407228391.db2.gz ICJZIWPIGQDQOU-IAGOWNOFSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)CCOCc1cncc2c1CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000096189349 407246986 /nfs/dbraw/zinc/24/69/86/407246986.db2.gz HBKKCBIDOQWEND-OAHLLOKOSA-N 2 1 319.449 1.554 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051939 407228511 /nfs/dbraw/zinc/22/85/11/407228511.db2.gz MGSOSEMGQBJQTO-FUHWJXTLSA-N 2 1 322.424 1.995 40 0 DDABMP Cc1cccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)n1 ZINC000248157357 408540867 /nfs/dbraw/zinc/54/08/67/408540867.db2.gz ZQZVEFVKZAZYMR-QZTJIDSGSA-N 2 1 319.449 1.702 40 0 DDABMP Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)n1 ZINC000248157357 408540869 /nfs/dbraw/zinc/54/08/69/408540869.db2.gz ZQZVEFVKZAZYMR-QZTJIDSGSA-N 2 1 319.449 1.702 40 0 DDABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404565 185169621 /nfs/dbraw/zinc/16/96/21/185169621.db2.gz GVLDNPVFNOZPCG-YOEHRIQHSA-N 2 1 301.434 1.989 40 0 DDABMP C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000082311164 185174866 /nfs/dbraw/zinc/17/48/66/185174866.db2.gz ABQRJCSOIFITCQ-KRWDZBQOSA-N 2 1 301.434 1.673 40 0 DDABMP C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000082311164 185174867 /nfs/dbraw/zinc/17/48/67/185174867.db2.gz ABQRJCSOIFITCQ-KRWDZBQOSA-N 2 1 301.434 1.673 40 0 DDABMP CC(=O)N[C@@H]1C[N@@H+](C)C2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000019704832 352168882 /nfs/dbraw/zinc/16/88/82/352168882.db2.gz PERQPPDMTXSQFH-SFHVURJKSA-N 2 1 315.461 1.904 40 0 DDABMP CC(=O)N[C@@H]1C[N@H+](C)C2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000019704832 352168884 /nfs/dbraw/zinc/16/88/84/352168884.db2.gz PERQPPDMTXSQFH-SFHVURJKSA-N 2 1 315.461 1.904 40 0 DDABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccnc21 ZINC000019371783 182120037 /nfs/dbraw/zinc/12/00/37/182120037.db2.gz SUTGQTYJEHGUEP-HNNXBMFYSA-N 2 1 322.416 1.775 40 0 DDABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404563 185169779 /nfs/dbraw/zinc/16/97/79/185169779.db2.gz GVLDNPVFNOZPCG-WMLDXEAASA-N 2 1 301.434 1.989 40 0 DDABMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(C)(C)C[NH+]1CCN(C)CC1 ZINC000072324695 191123661 /nfs/dbraw/zinc/12/36/61/191123661.db2.gz JYFPATKCZICVIM-IAGOWNOFSA-N 2 1 308.514 1.429 40 0 DDABMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@H]2O)CC1 ZINC000585286906 354824351 /nfs/dbraw/zinc/82/43/51/354824351.db2.gz WRVRRKYTDDNYQD-ZACQAIPSSA-N 2 1 308.397 1.780 40 0 DDABMP CC1CC[NH+](C[C@@H]2OC[C@H]([NH2+]Cc3ccccn3)[C@H]2O)CC1 ZINC000514289032 257216056 /nfs/dbraw/zinc/21/60/56/257216056.db2.gz MLCUKKVDEPHJMW-YESZJQIVSA-N 2 1 305.422 1.031 40 0 biogenic,in-vitro DDABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404558 185169419 /nfs/dbraw/zinc/16/94/19/185169419.db2.gz VLUXJUAHIPBKBB-GOEBONIOSA-N 2 1 301.434 1.847 40 0 DDABMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[NH+]1CCCC1 ZINC000257244965 286518007 /nfs/dbraw/zinc/51/80/07/286518007.db2.gz INMVPDPTQMSALH-OAHLLOKOSA-N 2 1 303.406 1.264 40 0 DDABMP C[NH+](C)CCN1CC[C@@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096201970 407248458 /nfs/dbraw/zinc/24/84/58/407248458.db2.gz KGPUGZWCBQJMAV-KRWDZBQOSA-N 2 1 323.506 1.834 40 0 DDABMP C[NH+](C)CCN1CC[C@@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096201970 407248461 /nfs/dbraw/zinc/24/84/61/407248461.db2.gz KGPUGZWCBQJMAV-KRWDZBQOSA-N 2 1 323.506 1.834 40 0 DDABMP CCC[N@H+]1CCc2nc3n(c(=O)c2C1)[C@H](C[NH+](C)CC)CCC3 ZINC000306144286 409772030 /nfs/dbraw/zinc/77/20/30/409772030.db2.gz ZBHBGFBGGYMNET-AWEZNQCLSA-N 2 1 318.465 1.841 40 0 DDABMP CCC[NH+]1CCc2nc3n(c(=O)c2C1)[C@H](C[N@H+](C)CC)CCC3 ZINC000306144286 409772039 /nfs/dbraw/zinc/77/20/39/409772039.db2.gz ZBHBGFBGGYMNET-AWEZNQCLSA-N 2 1 318.465 1.841 40 0 DDABMP [NH3+]CC(=O)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404338 185169725 /nfs/dbraw/zinc/16/97/25/185169725.db2.gz HXLPPZVJGZMAQA-INIZCTEOSA-N 2 1 301.434 1.848 40 0 DDABMP C[N@@H+]1CCC[C@H]1c1cncc(C(=O)NCC[NH+]2CCCCC2)n1 ZINC000257277486 203006781 /nfs/dbraw/zinc/00/67/81/203006781.db2.gz NYDOIVUQJIVAPM-INIZCTEOSA-N 2 1 317.437 1.459 40 0 DDABMP C[N@H+]1CCC[C@H]1c1cncc(C(=O)NCC[NH+]2CCCCC2)n1 ZINC000257277486 203006783 /nfs/dbraw/zinc/00/67/83/203006783.db2.gz NYDOIVUQJIVAPM-INIZCTEOSA-N 2 1 317.437 1.459 40 0 DDABMP C[N@@H+]1CCC[C@H]1c1cncc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000257229458 407506376 /nfs/dbraw/zinc/50/63/76/407506376.db2.gz FYFDCVKFUFJSKW-HNNXBMFYSA-N 2 1 303.410 1.069 40 0 DDABMP C[N@H+]1CCC[C@H]1c1cncc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000257229458 407506380 /nfs/dbraw/zinc/50/63/80/407506380.db2.gz FYFDCVKFUFJSKW-HNNXBMFYSA-N 2 1 303.410 1.069 40 0 DDABMP C[NH+](C)CCOC[C@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2cccnc2)O1 ZINC000096186675 407245718 /nfs/dbraw/zinc/24/57/18/407245718.db2.gz DQAVKHZGIOWPRB-SQNIBIBYSA-N 2 1 319.449 1.782 40 0 DDABMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096196871 407247019 /nfs/dbraw/zinc/24/70/19/407247019.db2.gz MMPSOXVHPKLLMZ-OAHLLOKOSA-N 2 1 304.438 1.374 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000247941384 408517545 /nfs/dbraw/zinc/51/75/45/408517545.db2.gz ACAYDEMXNRJPKB-BZSNNMDCSA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccncc1 ZINC000247941384 408517550 /nfs/dbraw/zinc/51/75/50/408517550.db2.gz ACAYDEMXNRJPKB-BZSNNMDCSA-N 2 1 319.449 1.639 40 0 DDABMP C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccn1-c1cc[nH+]cc1 ZINC000019575985 182131010 /nfs/dbraw/zinc/13/10/10/182131010.db2.gz ZILSGYILLUEJIY-JCGIZDLHSA-N 2 1 312.417 1.512 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000096055222 407230039 /nfs/dbraw/zinc/23/00/39/407230039.db2.gz ACAYDEMXNRJPKB-OKZBNKHCSA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccncc1 ZINC000096055222 407230041 /nfs/dbraw/zinc/23/00/41/407230041.db2.gz ACAYDEMXNRJPKB-OKZBNKHCSA-N 2 1 319.449 1.639 40 0 DDABMP O[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1 ZINC000247959969 341371581 /nfs/dbraw/zinc/37/15/81/341371581.db2.gz PRGUSTUJRDFUNH-ZIAGYGMSSA-N 2 1 314.433 1.987 40 0 DDABMP C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2-n2cnc(C[NH3+])c2)C1 ZINC000257319272 203043169 /nfs/dbraw/zinc/04/31/69/203043169.db2.gz VRPYWDXRJRMEOJ-CYBMUJFWSA-N 2 1 313.405 1.155 40 0 DDABMP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096183646 407244198 /nfs/dbraw/zinc/24/41/98/407244198.db2.gz NYLOFVVGSYTSCO-SOUVJXGZSA-N 2 1 323.462 1.158 40 0 DDABMP c1coc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738752 407379153 /nfs/dbraw/zinc/37/91/53/407379153.db2.gz BLHKWOAXPKTBKR-FUHWJXTLSA-N 2 1 320.433 1.983 40 0 DDABMP c1coc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738752 407379155 /nfs/dbraw/zinc/37/91/55/407379155.db2.gz BLHKWOAXPKTBKR-FUHWJXTLSA-N 2 1 320.433 1.983 40 0 DDABMP C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000257208544 407494147 /nfs/dbraw/zinc/49/41/47/407494147.db2.gz BMPFXLYYEGXHOS-QGZVFWFLSA-N 2 1 301.434 1.844 40 0 DDABMP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000257208544 407494149 /nfs/dbraw/zinc/49/41/49/407494149.db2.gz BMPFXLYYEGXHOS-QGZVFWFLSA-N 2 1 301.434 1.844 40 0 DDABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccnc21 ZINC000019371781 182119875 /nfs/dbraw/zinc/11/98/75/182119875.db2.gz SUTGQTYJEHGUEP-OAHLLOKOSA-N 2 1 322.416 1.775 40 0 DDABMP O=c1[nH]c(C2CC[NH2+]CC2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019372388 182120801 /nfs/dbraw/zinc/12/08/01/182120801.db2.gz AQLHNRRTGXMOIW-UHFFFAOYSA-N 2 1 324.428 1.795 40 0 DDABMP O=c1[nH]c(C2CC[NH2+]CC2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019372388 182120804 /nfs/dbraw/zinc/12/08/04/182120804.db2.gz AQLHNRRTGXMOIW-UHFFFAOYSA-N 2 1 324.428 1.795 40 0 DDABMP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]CC2CCCCC2)[C@@H]1O ZINC000952844849 775567767 /nfs/dbraw/zinc/56/77/67/775567767.db2.gz NPYGOFCEVYXHRG-OVYGPGRDSA-N 2 1 321.421 1.387 40 0 biogenic,in-vitro DDABMP CN(C)c1cc(C[C@H]2C[NH2+]CC[N@H+](C3CCCC3)C2)ncn1 ZINC000072355043 191129180 /nfs/dbraw/zinc/12/91/80/191129180.db2.gz YOEOAKQPSJVODK-AWEZNQCLSA-N 2 1 303.454 1.549 40 0 DDABMP c1cnc2[nH]c(C3CC[NH2+]CC3)c(C[NH+]3CCOCC3)c2c1 ZINC000072394680 191149956 /nfs/dbraw/zinc/14/99/56/191149956.db2.gz YLYKLHHYTOJKFE-UHFFFAOYSA-N 2 1 300.406 1.862 40 0 DDABMP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](C1CCOCC1)CC2 ZINC000096196874 407246405 /nfs/dbraw/zinc/24/64/05/407246405.db2.gz BETHVQGSTJSOEA-UHFFFAOYSA-N 2 1 304.438 1.516 40 0 DDABMP COc1ncccc1C[N@H+]1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC000306137809 533257289 /nfs/dbraw/zinc/25/72/89/533257289.db2.gz RHBSKZYEZKBUBK-HZPDHXFCSA-N 2 1 304.438 1.300 40 0 DDABMP c1coc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738756 407379070 /nfs/dbraw/zinc/37/90/70/407379070.db2.gz BLHKWOAXPKTBKR-WMZOPIPTSA-N 2 1 320.433 1.983 40 0 DDABMP c1coc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738756 407379072 /nfs/dbraw/zinc/37/90/72/407379072.db2.gz BLHKWOAXPKTBKR-WMZOPIPTSA-N 2 1 320.433 1.983 40 0 DDABMP C[C@H]1C[N@@H+](Cc2ccncc2)C[C@@]12CCN(CC[NH+](C)C)C2=O ZINC000096070283 407233658 /nfs/dbraw/zinc/23/36/58/407233658.db2.gz QQLMISMZWRPUIC-YJBOKZPZSA-N 2 1 316.449 1.314 40 0 DDABMP C[NH+](C)CC(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157421 407241748 /nfs/dbraw/zinc/24/17/48/407241748.db2.gz GBAORBJDBZNSMZ-UHFFFAOYSA-N 2 1 316.449 1.458 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096051956 407228550 /nfs/dbraw/zinc/22/85/50/407228550.db2.gz OQJCBXBLCURDSG-IAGOWNOFSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096051956 407228551 /nfs/dbraw/zinc/22/85/51/407228551.db2.gz OQJCBXBLCURDSG-IAGOWNOFSA-N 2 1 305.422 1.251 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C)CO3)C2)o1 ZINC000107738574 407379273 /nfs/dbraw/zinc/37/92/73/407379273.db2.gz DYLCPCYQUOSQBJ-RDJZCZTQSA-N 2 1 308.422 1.757 40 0 DDABMP O[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000072394690 191149176 /nfs/dbraw/zinc/14/91/76/191149176.db2.gz CALOHMMDVSFJOH-CQSZACIVSA-N 2 1 314.433 1.987 40 0 DDABMP Cn1cccc1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096223855 407252766 /nfs/dbraw/zinc/25/27/66/407252766.db2.gz ROPWFXKHTGYRIK-SFHVURJKSA-N 2 1 318.465 1.401 40 0 DDABMP C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201643 407248545 /nfs/dbraw/zinc/24/85/45/407248545.db2.gz BWALEPSYTHRCQS-RHSMWYFYSA-N 2 1 321.490 1.980 40 0 DDABMP COc1cc(C[N@H+]2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)cc(OC)c1 ZINC000306130521 231085358 /nfs/dbraw/zinc/08/53/58/231085358.db2.gz JIUCXKKBTVWHJH-BMGDILEWSA-N 2 1 320.433 1.712 40 0 DDABMP C[NH+](C)CC(=O)N1CCC2(CC[C@@H](COCC3CC3)[N@H+]2C)CC1 ZINC000096209261 407250888 /nfs/dbraw/zinc/25/08/88/407250888.db2.gz PDPNJVNKNTZXCP-INIZCTEOSA-N 2 1 323.481 1.430 40 0 DDABMP Cc1[nH+]ccn1CCN(C)c1cc([C@H]2C[NH2+]CCO2)nc(C)n1 ZINC000072387090 191145083 /nfs/dbraw/zinc/14/50/83/191145083.db2.gz CBYLGYMTUFTZBK-OAHLLOKOSA-N 2 1 316.409 1.087 40 0 DDABMP O[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000072394689 191150270 /nfs/dbraw/zinc/15/02/70/191150270.db2.gz CALOHMMDVSFJOH-AWEZNQCLSA-N 2 1 314.433 1.987 40 0 DDABMP c1coc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052009 407227979 /nfs/dbraw/zinc/22/79/79/407227979.db2.gz BLHKWOAXPKTBKR-AEFFLSMTSA-N 2 1 320.433 1.983 40 0 DDABMP c1coc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052009 407227981 /nfs/dbraw/zinc/22/79/81/407227981.db2.gz BLHKWOAXPKTBKR-AEFFLSMTSA-N 2 1 320.433 1.983 40 0 DDABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404551 185169597 /nfs/dbraw/zinc/16/95/97/185169597.db2.gz QCEPSFNEGREPPM-YOEHRIQHSA-N 2 1 301.434 1.989 40 0 DDABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000096188957 407246576 /nfs/dbraw/zinc/24/65/76/407246576.db2.gz DZAGDDQGTJKPFN-MRXNPFEDSA-N 2 1 318.421 1.686 40 0 DDABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000096188957 407246579 /nfs/dbraw/zinc/24/65/79/407246579.db2.gz DZAGDDQGTJKPFN-MRXNPFEDSA-N 2 1 318.421 1.686 40 0 DDABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096196846 407246808 /nfs/dbraw/zinc/24/68/08/407246808.db2.gz CAWKZGDTBQZWFY-HNNXBMFYSA-N 2 1 306.454 1.618 40 0 DDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096196846 407246809 /nfs/dbraw/zinc/24/68/09/407246809.db2.gz CAWKZGDTBQZWFY-HNNXBMFYSA-N 2 1 306.454 1.618 40 0 DDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096196846 407246810 /nfs/dbraw/zinc/24/68/10/407246810.db2.gz CAWKZGDTBQZWFY-HNNXBMFYSA-N 2 1 306.454 1.618 40 0 DDABMP C[NH+](C)CCN1CCO[C@H]2CC[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000248056669 408531442 /nfs/dbraw/zinc/53/14/42/408531442.db2.gz YGYJZNXSFYERDM-SJORKVTESA-N 2 1 323.506 1.975 40 0 DDABMP C1OC2(C[C@H]1[NH+]1CCC([NH+]3CCCCC3)CC1)CC[NH2+]CC2 ZINC000019201489 406885077 /nfs/dbraw/zinc/88/50/77/406885077.db2.gz ZREJDHYRNJQOCB-QGZVFWFLSA-N 3 1 307.482 1.848 40 0 DDABMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096184312 407245092 /nfs/dbraw/zinc/24/50/92/407245092.db2.gz GPXOGPUSWKNCEN-HOTGVXAUSA-N 2 1 317.433 1.626 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051926 407228200 /nfs/dbraw/zinc/22/82/00/407228200.db2.gz AHMCWAIJFFOKDU-HZPDHXFCSA-N 2 1 310.463 1.917 40 0 DDABMP c1cc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)cs1 ZINC000096056210 407229839 /nfs/dbraw/zinc/22/98/39/407229839.db2.gz VVDSAROEZQYYQN-ZACQAIPSSA-N 2 1 322.474 1.917 40 0 DDABMP c1cc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)cs1 ZINC000096056210 407229842 /nfs/dbraw/zinc/22/98/42/407229842.db2.gz VVDSAROEZQYYQN-ZACQAIPSSA-N 2 1 322.474 1.917 40 0 DDABMP C[C@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443135 185367195 /nfs/dbraw/zinc/36/71/95/185367195.db2.gz ILXKADWHYPCQNI-SVTHRDLCSA-N 2 1 310.482 1.728 40 0 DDABMP c1cncc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)c1 ZINC000096054379 407229246 /nfs/dbraw/zinc/22/92/46/407229246.db2.gz QXOIMBZNMFOPRT-MSOLQXFVSA-N 2 1 316.449 1.062 40 0 DDABMP c1cncc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)c1 ZINC000096054379 407229248 /nfs/dbraw/zinc/22/92/48/407229248.db2.gz QXOIMBZNMFOPRT-MSOLQXFVSA-N 2 1 316.449 1.062 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)o1 ZINC000107739484 407379448 /nfs/dbraw/zinc/37/94/48/407379448.db2.gz KTIYUUNGQLRBBI-DLBZAZTESA-N 2 1 308.422 1.900 40 0 DDABMP CN(C)CC[N@@H+]1CCOCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000096239843 407254809 /nfs/dbraw/zinc/25/48/09/407254809.db2.gz KWHUKBZRRWTEMZ-UHFFFAOYSA-N 2 1 321.465 1.756 40 0 DDABMP CN(C)CC[N@H+]1CCOCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000096239843 407254810 /nfs/dbraw/zinc/25/48/10/407254810.db2.gz KWHUKBZRRWTEMZ-UHFFFAOYSA-N 2 1 321.465 1.756 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000096055216 407229031 /nfs/dbraw/zinc/22/90/31/407229031.db2.gz BABJFZUNUDAGBC-RCCFBDPRSA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccnc1 ZINC000096055216 407229033 /nfs/dbraw/zinc/22/90/33/407229033.db2.gz BABJFZUNUDAGBC-RCCFBDPRSA-N 2 1 319.449 1.639 40 0 DDABMP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@@H+](CC1CC1)C2 ZINC000096060874 407231878 /nfs/dbraw/zinc/23/18/78/407231878.db2.gz PBCYHRRBGBOFSI-CQSZACIVSA-N 2 1 307.442 1.185 40 0 DDABMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000107256312 407371468 /nfs/dbraw/zinc/37/14/68/407371468.db2.gz SQFTZERPTGBNTH-FGTMMUONSA-N 2 1 317.433 1.393 40 0 DDABMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000107256312 407371470 /nfs/dbraw/zinc/37/14/70/407371470.db2.gz SQFTZERPTGBNTH-FGTMMUONSA-N 2 1 317.433 1.393 40 0 DDABMP c1cc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000107256312 407371472 /nfs/dbraw/zinc/37/14/72/407371472.db2.gz SQFTZERPTGBNTH-FGTMMUONSA-N 2 1 317.433 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051923 407228002 /nfs/dbraw/zinc/22/80/02/407228002.db2.gz AHMCWAIJFFOKDU-HOTGVXAUSA-N 2 1 310.463 1.917 40 0 DDABMP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096183642 407244642 /nfs/dbraw/zinc/24/46/42/407244642.db2.gz INZCAPAZGOQJKV-SOUVJXGZSA-N 2 1 323.462 1.158 40 0 DDABMP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](CCc1ccccc1)C2 ZINC000096202028 407250018 /nfs/dbraw/zinc/25/00/18/407250018.db2.gz DBGPSAHXVNKNHH-LJQANCHMSA-N 2 1 318.461 1.900 40 0 DDABMP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](CCc1ccccc1)C2 ZINC000096202028 407250024 /nfs/dbraw/zinc/25/00/24/407250024.db2.gz DBGPSAHXVNKNHH-LJQANCHMSA-N 2 1 318.461 1.900 40 0 DDABMP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](CCc1ccccc1)C2 ZINC000096202028 407250026 /nfs/dbraw/zinc/25/00/26/407250026.db2.gz DBGPSAHXVNKNHH-LJQANCHMSA-N 2 1 318.461 1.900 40 0 DDABMP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](CCc1ccccc1)C2 ZINC000096202028 407250028 /nfs/dbraw/zinc/25/00/28/407250028.db2.gz DBGPSAHXVNKNHH-LJQANCHMSA-N 2 1 318.461 1.900 40 0 DDABMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH2+]C3)c1 ZINC000306127891 534510277 /nfs/dbraw/zinc/51/02/77/534510277.db2.gz GJZWCKTUTUBZQH-ROUUACIJSA-N 2 1 301.434 1.920 40 0 DDABMP O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN1CC[NH+]1CCCC1 ZINC000096245053 407254617 /nfs/dbraw/zinc/25/46/17/407254617.db2.gz JVZDVEXXHWNVFX-HOCLYGCPSA-N 2 1 319.474 1.734 40 0 DDABMP c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4cc[nH]n4)C3)n2)cn1 ZINC000257200939 407490645 /nfs/dbraw/zinc/49/06/45/407490645.db2.gz AFKDBPIPYSQKAD-CYBMUJFWSA-N 2 1 309.377 1.765 40 0 DDABMP c1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C[NH+]4CCOCC4)[C@H]3C2)n[nH]1 ZINC000096081889 407236382 /nfs/dbraw/zinc/23/63/82/407236382.db2.gz ZYMHPCADCFLXHU-ZMSDIMECSA-N 2 1 304.438 1.590 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccco1 ZINC000248061257 408530131 /nfs/dbraw/zinc/53/01/31/408530131.db2.gz YYWQSROMSOGCRM-UAGQMJEPSA-N 2 1 308.422 1.837 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccco1 ZINC000248061257 408530139 /nfs/dbraw/zinc/53/01/39/408530139.db2.gz YYWQSROMSOGCRM-UAGQMJEPSA-N 2 1 308.422 1.837 40 0 DDABMP CN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC000306135608 529998523 /nfs/dbraw/zinc/99/85/23/529998523.db2.gz OVWARDFCQIAIDW-MRXNPFEDSA-N 2 1 317.433 1.098 40 0 DDABMP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257337459 203059886 /nfs/dbraw/zinc/05/98/86/203059886.db2.gz YSVPGYZWEMMGBO-AFIMGQEJSA-N 2 1 316.449 1.919 40 0 DDABMP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257337459 203059889 /nfs/dbraw/zinc/05/98/89/203059889.db2.gz YSVPGYZWEMMGBO-AFIMGQEJSA-N 2 1 316.449 1.919 40 0 DDABMP c1csc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)c1 ZINC000096056209 407229199 /nfs/dbraw/zinc/22/91/99/407229199.db2.gz DLLAUVXZGITOCF-OIISXLGYSA-N 2 1 322.474 1.917 40 0 DDABMP c1csc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)c1 ZINC000096056209 407229201 /nfs/dbraw/zinc/22/92/01/407229201.db2.gz DLLAUVXZGITOCF-OIISXLGYSA-N 2 1 322.474 1.917 40 0 DDABMP C[N@@H+]1CCC[C@@H]1c1cncc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000257229459 407505795 /nfs/dbraw/zinc/50/57/95/407505795.db2.gz FYFDCVKFUFJSKW-OAHLLOKOSA-N 2 1 303.410 1.069 40 0 DDABMP C[N@H+]1CCC[C@@H]1c1cncc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000257229459 407505802 /nfs/dbraw/zinc/50/58/02/407505802.db2.gz FYFDCVKFUFJSKW-OAHLLOKOSA-N 2 1 303.410 1.069 40 0 DDABMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000000203746 406631241 /nfs/dbraw/zinc/63/12/41/406631241.db2.gz WMCRUOUJDVCHSC-QGZVFWFLSA-N 2 1 301.434 1.673 40 0 DDABMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000000203746 406631246 /nfs/dbraw/zinc/63/12/46/406631246.db2.gz WMCRUOUJDVCHSC-QGZVFWFLSA-N 2 1 301.434 1.673 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051920 407228190 /nfs/dbraw/zinc/22/81/90/407228190.db2.gz AITYZCRPJUQZFC-ZBFHGGJFSA-N 2 1 310.463 1.917 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000096055218 407229345 /nfs/dbraw/zinc/22/93/45/407229345.db2.gz BABJFZUNUDAGBC-OKZBNKHCSA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1cccnc1 ZINC000096055218 407229346 /nfs/dbraw/zinc/22/93/46/407229346.db2.gz BABJFZUNUDAGBC-OKZBNKHCSA-N 2 1 319.449 1.639 40 0 DDABMP c1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)ccn1 ZINC000096054380 407229776 /nfs/dbraw/zinc/22/97/76/407229776.db2.gz MFVSKALONJDXCK-MSOLQXFVSA-N 2 1 316.449 1.062 40 0 DDABMP c1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)ccn1 ZINC000096054380 407229778 /nfs/dbraw/zinc/22/97/78/407229778.db2.gz MFVSKALONJDXCK-MSOLQXFVSA-N 2 1 316.449 1.062 40 0 DDABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2cccnc2)[C@@H]2CCCO[C@@H]21 ZINC000096057456 407231072 /nfs/dbraw/zinc/23/10/72/407231072.db2.gz IGQZFOLUTYTEPY-IKGGRYGDSA-N 2 1 305.422 1.392 40 0 DDABMP Cc1nnc2n1C1(CC[NH+](Cc3ccco3)CC1)C[N@H+](C)C2 ZINC000306132444 231086847 /nfs/dbraw/zinc/08/68/47/231086847.db2.gz LIYNPJIVWVBBSX-UHFFFAOYSA-N 2 1 301.394 1.616 40 0 DDABMP Cc1nnc2n1C1(CC[NH+](Cc3ccco3)CC1)C[N@@H+](C)C2 ZINC000306132444 231086849 /nfs/dbraw/zinc/08/68/49/231086849.db2.gz LIYNPJIVWVBBSX-UHFFFAOYSA-N 2 1 301.394 1.616 40 0 DDABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CCOC1)CC2 ZINC000107212024 407371028 /nfs/dbraw/zinc/37/10/28/407371028.db2.gz CAWKZGDTBQZWFY-OAHLLOKOSA-N 2 1 306.454 1.618 40 0 DDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000107212024 407371030 /nfs/dbraw/zinc/37/10/30/407371030.db2.gz CAWKZGDTBQZWFY-OAHLLOKOSA-N 2 1 306.454 1.618 40 0 DDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000107212024 407371031 /nfs/dbraw/zinc/37/10/31/407371031.db2.gz CAWKZGDTBQZWFY-OAHLLOKOSA-N 2 1 306.454 1.618 40 0 DDABMP Cc1cccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)n1 ZINC000248157353 408540485 /nfs/dbraw/zinc/54/04/85/408540485.db2.gz ZQZVEFVKZAZYMR-MSOLQXFVSA-N 2 1 319.449 1.702 40 0 DDABMP Cc1cccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)n1 ZINC000248157353 408540488 /nfs/dbraw/zinc/54/04/88/408540488.db2.gz ZQZVEFVKZAZYMR-MSOLQXFVSA-N 2 1 319.449 1.702 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051947 407228678 /nfs/dbraw/zinc/22/86/78/407228678.db2.gz HSJPIXOFMDWNDM-DOTOQJQBSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051947 407228679 /nfs/dbraw/zinc/22/86/79/407228679.db2.gz HSJPIXOFMDWNDM-DOTOQJQBSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2ccccn2)[C@@H]2CCCO[C@@H]21 ZINC000096057455 407231026 /nfs/dbraw/zinc/23/10/26/407231026.db2.gz IOAMHYMTHPRNIO-IKGGRYGDSA-N 2 1 305.422 1.392 40 0 DDABMP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415631 185170808 /nfs/dbraw/zinc/17/08/08/185170808.db2.gz STWOOHMDZAMILW-HOCLYGCPSA-N 2 1 301.434 1.847 40 0 DDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000096056476 407229883 /nfs/dbraw/zinc/22/98/83/407229883.db2.gz WMMOKPFNHUTKSU-IAGOWNOFSA-N 2 1 319.424 1.953 40 0 DDABMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)C1=O ZINC000096073939 407234829 /nfs/dbraw/zinc/23/48/29/407234829.db2.gz NVXVQWWZPPCOGC-GOSISDBHSA-N 2 1 316.449 1.458 40 0 DDABMP C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495895 257120569 /nfs/dbraw/zinc/12/05/69/257120569.db2.gz GRTFZUQMANCAGR-KBPBESRZSA-N 2 1 308.422 1.795 40 0 DDABMP C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495895 257120571 /nfs/dbraw/zinc/12/05/71/257120571.db2.gz GRTFZUQMANCAGR-KBPBESRZSA-N 2 1 308.422 1.795 40 0 DDABMP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415636 278223977 /nfs/dbraw/zinc/22/39/77/278223977.db2.gz STWOOHMDZAMILW-GOEBONIOSA-N 2 1 301.434 1.847 40 0 DDABMP CC[NH+]1CCC([N@@H+]2CCOC[C@H](Cc3cc(=O)[nH]cn3)C2)CC1 ZINC000257292339 203017806 /nfs/dbraw/zinc/01/78/06/203017806.db2.gz QLAVWUIRAPHQIB-CQSZACIVSA-N 2 1 320.437 1.157 40 0 DDABMP CC[NH+]1CCC([N@H+]2CCOC[C@H](Cc3cc(=O)[nH]cn3)C2)CC1 ZINC000257292339 203017810 /nfs/dbraw/zinc/01/78/10/203017810.db2.gz QLAVWUIRAPHQIB-CQSZACIVSA-N 2 1 320.437 1.157 40 0 DDABMP c1coc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)c1 ZINC000096054374 407229992 /nfs/dbraw/zinc/22/99/92/407229992.db2.gz HXSHLMVFPXEBMA-SJORKVTESA-N 2 1 305.422 1.260 40 0 DDABMP c1coc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)c1 ZINC000096054374 407229993 /nfs/dbraw/zinc/22/99/93/407229993.db2.gz HXSHLMVFPXEBMA-SJORKVTESA-N 2 1 305.422 1.260 40 0 DDABMP C[NH+](C)CC(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccncc2)C1 ZINC000096071490 407234255 /nfs/dbraw/zinc/23/42/55/407234255.db2.gz NUCWVGPTGHLWIH-SFHVURJKSA-N 2 1 316.449 1.600 40 0 DDABMP C[NH+](C)CC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccncc2)C1 ZINC000096071490 407234256 /nfs/dbraw/zinc/23/42/56/407234256.db2.gz NUCWVGPTGHLWIH-SFHVURJKSA-N 2 1 316.449 1.600 40 0 DDABMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000096185603 407244863 /nfs/dbraw/zinc/24/48/63/407244863.db2.gz WCHZBRRZRGOZTR-YCPHGPKFSA-N 2 1 317.462 1.934 40 0 DDABMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000096185603 407244865 /nfs/dbraw/zinc/24/48/65/407244865.db2.gz WCHZBRRZRGOZTR-YCPHGPKFSA-N 2 1 317.462 1.934 40 0 DDABMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185603 407244867 /nfs/dbraw/zinc/24/48/67/407244867.db2.gz WCHZBRRZRGOZTR-YCPHGPKFSA-N 2 1 317.462 1.934 40 0 DDABMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185603 407244869 /nfs/dbraw/zinc/24/48/69/407244869.db2.gz WCHZBRRZRGOZTR-YCPHGPKFSA-N 2 1 317.462 1.934 40 0 DDABMP CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]12 ZINC000257308855 407532325 /nfs/dbraw/zinc/53/23/25/407532325.db2.gz TYKMBYSLIKGGOD-HYVNUMGLSA-N 2 1 315.465 1.717 40 0 DDABMP CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]12 ZINC000257308855 407532335 /nfs/dbraw/zinc/53/23/35/407532335.db2.gz TYKMBYSLIKGGOD-HYVNUMGLSA-N 2 1 315.465 1.717 40 0 DDABMP CC(=O)N[C@H]1C[N@@H+](C)C2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000019704833 352168638 /nfs/dbraw/zinc/16/86/38/352168638.db2.gz PERQPPDMTXSQFH-GOSISDBHSA-N 2 1 315.461 1.904 40 0 DDABMP CC(=O)N[C@H]1C[N@H+](C)C2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000019704833 352168639 /nfs/dbraw/zinc/16/86/39/352168639.db2.gz PERQPPDMTXSQFH-GOSISDBHSA-N 2 1 315.461 1.904 40 0 DDABMP COc1ccccc1C[N@H+]1CC[C@@H](NCCC[NH+](C)C)[C@H](O)C1 ZINC000012146523 406837641 /nfs/dbraw/zinc/83/76/41/406837641.db2.gz OTOOICUUDYHVET-IAGOWNOFSA-N 2 1 321.465 1.172 40 0 DDABMP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](CC1CC1)CCC2 ZINC000096055967 407229312 /nfs/dbraw/zinc/22/93/12/407229312.db2.gz WPVIHOWLADBJKN-WMZOPIPTSA-N 2 1 324.465 1.620 40 0 DDABMP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096055967 407229315 /nfs/dbraw/zinc/22/93/15/407229315.db2.gz WPVIHOWLADBJKN-WMZOPIPTSA-N 2 1 324.465 1.620 40 0 DDABMP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096055967 407229318 /nfs/dbraw/zinc/22/93/18/407229318.db2.gz WPVIHOWLADBJKN-WMZOPIPTSA-N 2 1 324.465 1.620 40 0 DDABMP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccco4)C[C@@H]32)CC1 ZINC000096056255 407229967 /nfs/dbraw/zinc/22/99/67/407229967.db2.gz KVWKQFXHBZMXJE-RYQLBKOJSA-N 2 1 319.449 1.364 40 0 DDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@H+](Cc4ccco4)C[C@@H]32)CC1 ZINC000096056255 407229968 /nfs/dbraw/zinc/22/99/68/407229968.db2.gz KVWKQFXHBZMXJE-RYQLBKOJSA-N 2 1 319.449 1.364 40 0 DDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccco4)C[C@@H]32)CC1 ZINC000096056255 407229969 /nfs/dbraw/zinc/22/99/69/407229969.db2.gz KVWKQFXHBZMXJE-RYQLBKOJSA-N 2 1 319.449 1.364 40 0 DDABMP COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc1 ZINC000096054300 407230012 /nfs/dbraw/zinc/23/00/12/407230012.db2.gz MNEKLAOOCUFVTC-MSOLQXFVSA-N 2 1 319.449 1.142 40 0 DDABMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCOC2)Cc2cccnc21 ZINC000096198837 407247350 /nfs/dbraw/zinc/24/73/50/407247350.db2.gz LONKUNSQFKOFCE-HNNXBMFYSA-N 2 1 304.438 1.302 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)o1 ZINC000107739479 407379332 /nfs/dbraw/zinc/37/93/32/407379332.db2.gz KTIYUUNGQLRBBI-IRXDYDNUSA-N 2 1 308.422 1.900 40 0 DDABMP C[NH+](C)CCOCc1nnc2n1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096058864 407230550 /nfs/dbraw/zinc/23/05/50/407230550.db2.gz BOCIRQTYPJNFJH-UHFFFAOYSA-N 2 1 319.409 1.008 40 0 DDABMP C[NH+](C)CCOCc1nnc2n1CC[N@H+](Cc1ccoc1)CC2 ZINC000096058864 407230553 /nfs/dbraw/zinc/23/05/53/407230553.db2.gz BOCIRQTYPJNFJH-UHFFFAOYSA-N 2 1 319.409 1.008 40 0 DDABMP C[N@@H+]1CCC[C@@H]1c1cncc(C(=O)NCC[NH+]2CCCCC2)n1 ZINC000257277487 407529644 /nfs/dbraw/zinc/52/96/44/407529644.db2.gz NYDOIVUQJIVAPM-MRXNPFEDSA-N 2 1 317.437 1.459 40 0 DDABMP C[N@H+]1CCC[C@@H]1c1cncc(C(=O)NCC[NH+]2CCCCC2)n1 ZINC000257277487 407529649 /nfs/dbraw/zinc/52/96/49/407529649.db2.gz NYDOIVUQJIVAPM-MRXNPFEDSA-N 2 1 317.437 1.459 40 0 DDABMP C[NH+](C)CC(=O)N1CCC2(CC[C@H](COCC3CC3)[N@H+]2C)CC1 ZINC000096209262 407250848 /nfs/dbraw/zinc/25/08/48/407250848.db2.gz PDPNJVNKNTZXCP-MRXNPFEDSA-N 2 1 323.481 1.430 40 0 DDABMP C[NH+](C)CCN1CCO[C@H]2CC[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096249257 407256244 /nfs/dbraw/zinc/25/62/44/407256244.db2.gz YGYJZNXSFYERDM-IRXDYDNUSA-N 2 1 323.506 1.975 40 0 DDABMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC000096249187 407255790 /nfs/dbraw/zinc/25/57/90/407255790.db2.gz WYBRPFLOSGDTJH-IAGOWNOFSA-N 2 1 314.437 1.108 40 0 DDABMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC000096249187 407255792 /nfs/dbraw/zinc/25/57/92/407255792.db2.gz WYBRPFLOSGDTJH-IAGOWNOFSA-N 2 1 314.437 1.108 40 0 DDABMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC000096249187 407255793 /nfs/dbraw/zinc/25/57/93/407255793.db2.gz WYBRPFLOSGDTJH-IAGOWNOFSA-N 2 1 314.437 1.108 40 0 DDABMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC000096249187 407255794 /nfs/dbraw/zinc/25/57/94/407255794.db2.gz WYBRPFLOSGDTJH-IAGOWNOFSA-N 2 1 314.437 1.108 40 0 DDABMP C[NH+](C)CC(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccncc2)C1 ZINC000096071491 407234183 /nfs/dbraw/zinc/23/41/83/407234183.db2.gz NUCWVGPTGHLWIH-GOSISDBHSA-N 2 1 316.449 1.600 40 0 DDABMP C[NH+](C)CC(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccncc2)C1 ZINC000096071491 407234184 /nfs/dbraw/zinc/23/41/84/407234184.db2.gz NUCWVGPTGHLWIH-GOSISDBHSA-N 2 1 316.449 1.600 40 0 DDABMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CO)on3)C2(C)C)CC1 ZINC000067889935 190731488 /nfs/dbraw/zinc/73/14/88/190731488.db2.gz YWVCGCDIKGRPFH-WBMJQRKESA-N 2 1 307.438 1.808 40 0 biogenic,in-vitro DDABMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203613 407370915 /nfs/dbraw/zinc/37/09/15/407370915.db2.gz WTAQGHUSQUMQGU-OWSLCNJRSA-N 2 1 318.465 1.845 40 0 DDABMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203613 407370916 /nfs/dbraw/zinc/37/09/16/407370916.db2.gz WTAQGHUSQUMQGU-OWSLCNJRSA-N 2 1 318.465 1.845 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203613 407370918 /nfs/dbraw/zinc/37/09/18/407370918.db2.gz WTAQGHUSQUMQGU-OWSLCNJRSA-N 2 1 318.465 1.845 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203613 407370920 /nfs/dbraw/zinc/37/09/20/407370920.db2.gz WTAQGHUSQUMQGU-OWSLCNJRSA-N 2 1 318.465 1.845 40 0 DDABMP Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](C[NH+]4CCCC4)[C@H]3C2)n(C)n1 ZINC000306125230 231084390 /nfs/dbraw/zinc/08/43/90/231084390.db2.gz CJYMHFNECKSPEJ-USXIJHARSA-N 2 1 304.438 1.271 40 0 DDABMP Cc1cc(C[N@H+]2C[C@H]3OC[C@H](C[NH+]4CCCC4)[C@H]3C2)n(C)n1 ZINC000306125230 231084393 /nfs/dbraw/zinc/08/43/93/231084393.db2.gz CJYMHFNECKSPEJ-USXIJHARSA-N 2 1 304.438 1.271 40 0 DDABMP c1csc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)c1 ZINC000096248717 407255579 /nfs/dbraw/zinc/25/55/79/407255579.db2.gz DHYPVMJFCIHRDK-SJORKVTESA-N 2 1 321.490 1.729 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000096052293 407228642 /nfs/dbraw/zinc/22/86/42/407228642.db2.gz OWGGTNZSCUXPGU-DLBZAZTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000096052293 407228643 /nfs/dbraw/zinc/22/86/43/407228643.db2.gz OWGGTNZSCUXPGU-DLBZAZTESA-N 2 1 305.422 1.393 40 0 DDABMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCCC1 ZINC000257317760 295410891 /nfs/dbraw/zinc/41/08/91/295410891.db2.gz VLABIEPRZDFWEW-MRXNPFEDSA-N 2 1 317.433 1.654 40 0 DDABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079394283 185168988 /nfs/dbraw/zinc/16/89/88/185168988.db2.gz MBHIXGUSEKELLO-SJORKVTESA-N 2 1 303.450 1.950 40 0 DDABMP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257317852 203044052 /nfs/dbraw/zinc/04/40/52/203044052.db2.gz VLLYAXGLKUJXLW-CABCVRRESA-N 2 1 304.438 1.969 40 0 DDABMP CCc1[nH+]ccn1CCC(=O)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257321754 203046463 /nfs/dbraw/zinc/04/64/63/203046463.db2.gz WDCIWGQRRIAQNP-HUUCEWRRSA-N 2 1 304.438 1.826 40 0 DDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccsc1 ZINC000096056472 407229049 /nfs/dbraw/zinc/22/90/49/407229049.db2.gz WZZHADVBTGNVIO-HUUCEWRRSA-N 2 1 307.463 1.875 40 0 DDABMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccco1)CC2 ZINC000096196641 407246780 /nfs/dbraw/zinc/24/67/80/407246780.db2.gz XHHCCJATTOCQEM-UHFFFAOYSA-N 2 1 315.417 1.604 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051922 407228316 /nfs/dbraw/zinc/22/83/16/407228316.db2.gz AITYZCRPJUQZFC-GDBMZVCRSA-N 2 1 310.463 1.917 40 0 DDABMP C[NH+](C)CCN1CC[C@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096201969 407248735 /nfs/dbraw/zinc/24/87/35/407248735.db2.gz KGPUGZWCBQJMAV-QGZVFWFLSA-N 2 1 323.506 1.834 40 0 DDABMP C[NH+](C)CCN1CC[C@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096201969 407248738 /nfs/dbraw/zinc/24/87/38/407248738.db2.gz KGPUGZWCBQJMAV-QGZVFWFLSA-N 2 1 323.506 1.834 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C)CO3)C2)o1 ZINC000107738570 407379697 /nfs/dbraw/zinc/37/96/97/407379697.db2.gz DYLCPCYQUOSQBJ-DOTOQJQBSA-N 2 1 308.422 1.757 40 0 DDABMP Nc1cc(CC[C@@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)cc[nH+]1 ZINC000257317217 203041507 /nfs/dbraw/zinc/04/15/07/203041507.db2.gz VIVSGGIHOOIGNC-MRXNPFEDSA-N 2 1 319.449 1.992 40 0 DDABMP O=C(CC1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000238130741 256600243 /nfs/dbraw/zinc/60/02/43/256600243.db2.gz ULIIWIHSAVYJAU-UHFFFAOYSA-N 2 1 301.434 1.721 40 0 DDABMP CN(C)CC[N@@H+]1CCOCC2(CC[NH+](Cc3ccc[nH]3)CC2)C1 ZINC000096239840 407254723 /nfs/dbraw/zinc/25/47/23/407254723.db2.gz PYFLYKNSBBVVTK-UHFFFAOYSA-N 2 1 320.481 1.491 40 0 DDABMP CN(C)CC[N@H+]1CCOCC2(CC[NH+](Cc3ccc[nH]3)CC2)C1 ZINC000096239840 407254725 /nfs/dbraw/zinc/25/47/25/407254725.db2.gz PYFLYKNSBBVVTK-UHFFFAOYSA-N 2 1 320.481 1.491 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000096055220 407229167 /nfs/dbraw/zinc/22/91/67/407229167.db2.gz ACAYDEMXNRJPKB-RCCFBDPRSA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccncc1 ZINC000096055220 407229169 /nfs/dbraw/zinc/22/91/69/407229169.db2.gz ACAYDEMXNRJPKB-RCCFBDPRSA-N 2 1 319.449 1.639 40 0 DDABMP CC[NH+](CC)C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(C)nn3C)C[C@H]12 ZINC000306127330 279125857 /nfs/dbraw/zinc/12/58/57/279125857.db2.gz FWAUPMXDEXPWRE-DJIMGWMZSA-N 2 1 306.454 1.517 40 0 DDABMP Cn1cccc1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096223858 407252847 /nfs/dbraw/zinc/25/28/47/407252847.db2.gz ROPWFXKHTGYRIK-GOSISDBHSA-N 2 1 318.465 1.401 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096051951 407228313 /nfs/dbraw/zinc/22/83/13/407228313.db2.gz CPEBGDBPPODJBJ-DLBZAZTESA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096051951 407228314 /nfs/dbraw/zinc/22/83/14/407228314.db2.gz CPEBGDBPPODJBJ-DLBZAZTESA-N 2 1 305.422 1.251 40 0 DDABMP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH2+]CC2)cs1 ZINC000225467571 407587881 /nfs/dbraw/zinc/58/78/81/407587881.db2.gz RMHAPOHYFFOTIQ-GFCCVEGCSA-N 2 1 311.451 1.325 40 0 biogenic,in-vitro DDABMP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH2+]CC2)cs1 ZINC000225467571 407587886 /nfs/dbraw/zinc/58/78/86/407587886.db2.gz RMHAPOHYFFOTIQ-GFCCVEGCSA-N 2 1 311.451 1.325 40 0 biogenic,in-vitro DDABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404561 185169707 /nfs/dbraw/zinc/16/97/07/185169707.db2.gz VLUXJUAHIPBKBB-HOCLYGCPSA-N 2 1 301.434 1.847 40 0 DDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC000096056478 407230709 /nfs/dbraw/zinc/23/07/09/407230709.db2.gz PVJJMOGAERWUJT-CVEARBPZSA-N 2 1 302.422 1.209 40 0 DDABMP O=C1CC[C@H]2[C@H](CC[N@H+]2C[C@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000096186304 407245459 /nfs/dbraw/zinc/24/54/59/407245459.db2.gz YHJWVJBUGLKXFQ-IKGGRYGDSA-N 2 1 321.465 1.184 40 0 DDABMP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000952844689 775565828 /nfs/dbraw/zinc/56/58/28/775565828.db2.gz GIRQVUCLLJRTOC-OVYGPGRDSA-N 2 1 315.373 1.007 40 0 biogenic,in-vitro DDABMP [NH3+]CC(=O)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404327 185169069 /nfs/dbraw/zinc/16/90/69/185169069.db2.gz SUPNLPDNTQRDGO-QGZVFWFLSA-N 2 1 301.434 1.991 40 0 DDABMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)o1 ZINC000096056474 407229336 /nfs/dbraw/zinc/22/93/36/407229336.db2.gz UHSLLXIBNCRWOB-HZPDHXFCSA-N 2 1 305.422 1.715 40 0 DDABMP C[NH+]1CCC([N@@H+]2CCC3(CC(Nc4ccncn4)C3)C2)CC1 ZINC000257226086 407503700 /nfs/dbraw/zinc/50/37/00/407503700.db2.gz FJCKFALECCBELK-UHFFFAOYSA-N 2 1 301.438 1.837 40 0 DDABMP C[NH+]1CCC([N@H+]2CCC3(CC(Nc4ccncn4)C3)C2)CC1 ZINC000257226086 407503709 /nfs/dbraw/zinc/50/37/09/407503709.db2.gz FJCKFALECCBELK-UHFFFAOYSA-N 2 1 301.438 1.837 40 0 DDABMP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1O ZINC000952844868 775567133 /nfs/dbraw/zinc/56/71/33/775567133.db2.gz PLGWSVUSISPPJJ-ARILJUKYSA-N 2 1 309.410 1.243 40 0 biogenic,in-vitro DDABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404555 185169669 /nfs/dbraw/zinc/16/96/69/185169669.db2.gz QCEPSFNEGREPPM-WMLDXEAASA-N 2 1 301.434 1.989 40 0 DDABMP C[NH+](C)CCC[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004132835 181077249 /nfs/dbraw/zinc/07/72/49/181077249.db2.gz MJOBCENXYBCWKL-UHFFFAOYSA-N 2 1 303.362 1.298 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051945 407228015 /nfs/dbraw/zinc/22/80/15/407228015.db2.gz HSJPIXOFMDWNDM-RDJZCZTQSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051945 407228016 /nfs/dbraw/zinc/22/80/16/407228016.db2.gz HSJPIXOFMDWNDM-RDJZCZTQSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096051954 407228440 /nfs/dbraw/zinc/22/84/40/407228440.db2.gz OQJCBXBLCURDSG-SJORKVTESA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096051954 407228443 /nfs/dbraw/zinc/22/84/43/407228443.db2.gz OQJCBXBLCURDSG-SJORKVTESA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000096185396 407244171 /nfs/dbraw/zinc/24/41/71/407244171.db2.gz ULMDRVFBUQNFHV-RLFYNMQTSA-N 2 1 318.417 1.814 40 0 DDABMP Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](C[NH+]4CCCCC4)[C@H]3C2)n(C)n1 ZINC000306141362 231088928 /nfs/dbraw/zinc/08/89/28/231088928.db2.gz VTCIBNUKHOFSCA-KBAYOESNSA-N 2 1 318.465 1.661 40 0 DDABMP Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](C[NH+]4CCCCC4)[C@H]3C2)n(C)n1 ZINC000306141362 231088930 /nfs/dbraw/zinc/08/89/30/231088930.db2.gz VTCIBNUKHOFSCA-KBAYOESNSA-N 2 1 318.465 1.661 40 0 DDABMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391053 185167904 /nfs/dbraw/zinc/16/79/04/185167904.db2.gz HADZEMKQQPUBJC-INIZCTEOSA-N 2 1 301.434 1.848 40 0 DDABMP Cn1cncc1-c1nnc([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049170476 407116415 /nfs/dbraw/zinc/11/64/15/407116415.db2.gz IXSAPUABEWPYQV-LBPRGKRZSA-N 2 1 316.409 1.354 40 0 biogenic,in-vitro DDABMP Cn1cncc1-c1nnc([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049170476 407116417 /nfs/dbraw/zinc/11/64/17/407116417.db2.gz IXSAPUABEWPYQV-LBPRGKRZSA-N 2 1 316.409 1.354 40 0 biogenic,in-vitro DDABMP C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495897 257120416 /nfs/dbraw/zinc/12/04/16/257120416.db2.gz GRTFZUQMANCAGR-UONOGXRCSA-N 2 1 308.422 1.795 40 0 DDABMP C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495897 257120418 /nfs/dbraw/zinc/12/04/18/257120418.db2.gz GRTFZUQMANCAGR-UONOGXRCSA-N 2 1 308.422 1.795 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C)CO3)C2)o1 ZINC000096051933 407228652 /nfs/dbraw/zinc/22/86/52/407228652.db2.gz DYLCPCYQUOSQBJ-WBVHZDCISA-N 2 1 308.422 1.757 40 0 DDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccncc1 ZINC000096056479 407230999 /nfs/dbraw/zinc/23/09/99/407230999.db2.gz NQYFJMYPJZEDLX-HZPDHXFCSA-N 2 1 302.422 1.209 40 0 DDABMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CCOCC1)C2 ZINC000096201075 407248173 /nfs/dbraw/zinc/24/81/73/407248173.db2.gz ZODYWCGHIZOUGC-UHFFFAOYSA-N 2 1 306.454 1.966 40 0 DDABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CCOCC1)C2 ZINC000096201075 407248175 /nfs/dbraw/zinc/24/81/75/407248175.db2.gz ZODYWCGHIZOUGC-UHFFFAOYSA-N 2 1 306.454 1.966 40 0 DDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CCOCC1)C2 ZINC000096201075 407248176 /nfs/dbraw/zinc/24/81/76/407248176.db2.gz ZODYWCGHIZOUGC-UHFFFAOYSA-N 2 1 306.454 1.966 40 0 DDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CCOCC1)C2 ZINC000096201075 407248178 /nfs/dbraw/zinc/24/81/78/407248178.db2.gz ZODYWCGHIZOUGC-UHFFFAOYSA-N 2 1 306.454 1.966 40 0 DDABMP C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000074707368 185011005 /nfs/dbraw/zinc/01/10/05/185011005.db2.gz WUUCJJHCYZRVGZ-UHFFFAOYSA-N 2 1 301.434 1.673 40 0 DDABMP C[NH+](C)CCN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000096183830 407244623 /nfs/dbraw/zinc/24/46/23/407244623.db2.gz VSTMBKDPOQSBCS-JKSUJKDBSA-N 2 1 305.397 1.563 40 0 DDABMP O[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1 ZINC000247959965 341371539 /nfs/dbraw/zinc/37/15/39/341371539.db2.gz PRGUSTUJRDFUNH-UONOGXRCSA-N 2 1 314.433 1.987 40 0 DDABMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404634 185169483 /nfs/dbraw/zinc/16/94/83/185169483.db2.gz FXGINOAOKXSQDN-SJORKVTESA-N 2 1 303.450 1.998 40 0 DDABMP Cc1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000039762845 183021505 /nfs/dbraw/zinc/02/15/05/183021505.db2.gz RPYGCSHBUUSDPJ-UHFFFAOYSA-N 2 1 315.461 1.981 40 0 DDABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)o1 ZINC000096052282 407228624 /nfs/dbraw/zinc/22/86/24/407228624.db2.gz KTIYUUNGQLRBBI-IAGOWNOFSA-N 2 1 308.422 1.900 40 0 DDABMP Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](C[NH+]4CCCCC4)[C@H]3C2)n(C)n1 ZINC000306141361 409772110 /nfs/dbraw/zinc/77/21/10/409772110.db2.gz VTCIBNUKHOFSCA-CGTJXYLNSA-N 2 1 318.465 1.661 40 0 DDABMP Cc1cc(C[N@H+]2C[C@H]3OC[C@H](C[NH+]4CCCCC4)[C@H]3C2)n(C)n1 ZINC000306141361 409772121 /nfs/dbraw/zinc/77/21/21/409772121.db2.gz VTCIBNUKHOFSCA-CGTJXYLNSA-N 2 1 318.465 1.661 40 0 DDABMP C[C@@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695566 194351015 /nfs/dbraw/zinc/35/10/15/194351015.db2.gz ILXKADWHYPCQNI-OPLOCNSUSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@@H]1CC[C@H](CO)C[N@H+]1C/C=C/C[NH+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695566 194351017 /nfs/dbraw/zinc/35/10/17/194351017.db2.gz ILXKADWHYPCQNI-OPLOCNSUSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@@H]1CC[C@H](CO)C[N@@H+]1C/C=C/C[NH+]1C[C@@H](CO)CC[C@@H]1C ZINC000110695566 194351019 /nfs/dbraw/zinc/35/10/19/194351019.db2.gz ILXKADWHYPCQNI-OPLOCNSUSA-N 2 1 310.482 1.728 40 0 DDABMP CC(C)[N@H+]1C[C@@H]2C[C@@H](CC(=O)NCC[NH+]3CCCC3)O[C@@H]2C1 ZINC000096215599 407251358 /nfs/dbraw/zinc/25/13/58/407251358.db2.gz GCJHLBHVYOAPIL-HRCADAONSA-N 2 1 309.454 1.086 40 0 DDABMP c1cn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3CC2CCOCC2)cn1 ZINC000253476829 407450679 /nfs/dbraw/zinc/45/06/79/407450679.db2.gz BOPKJIKXOJLDEX-ULQDDVLXSA-N 2 1 305.422 1.789 40 0 DDABMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391050 185168000 /nfs/dbraw/zinc/16/80/00/185168000.db2.gz HADZEMKQQPUBJC-MRXNPFEDSA-N 2 1 301.434 1.848 40 0 DDABMP CNc1cc(C[N@H+](C)CC2=CCCOC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759977 182144825 /nfs/dbraw/zinc/14/48/25/182144825.db2.gz KSGIZYMBLLVAHV-HNNXBMFYSA-N 2 1 317.437 1.721 40 0 DDABMP CNc1cc(C[N@@H+](C)CC2=CCCOC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759977 182144826 /nfs/dbraw/zinc/14/48/26/182144826.db2.gz KSGIZYMBLLVAHV-HNNXBMFYSA-N 2 1 317.437 1.721 40 0 DDABMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096054299 407229622 /nfs/dbraw/zinc/22/96/22/407229622.db2.gz YZPABFKWOHDFQF-SJORKVTESA-N 2 1 307.413 1.272 40 0 DDABMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096054299 407229625 /nfs/dbraw/zinc/22/96/25/407229625.db2.gz YZPABFKWOHDFQF-SJORKVTESA-N 2 1 307.413 1.272 40 0 DDABMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157567 407241434 /nfs/dbraw/zinc/24/14/34/407241434.db2.gz CSYVQQXMQKMHHH-UHFFFAOYSA-N 2 1 316.449 1.458 40 0 DDABMP C[N@@H+](CC(=O)NCc1c[nH]c([C@@H]2CC[NH+](C)C2)n1)C1CCCC1 ZINC000257257014 407523968 /nfs/dbraw/zinc/52/39/68/407523968.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1c[nH]c([C@@H]2CC[N@H+](C)C2)n1)C1CCCC1 ZINC000257257014 407523972 /nfs/dbraw/zinc/52/39/72/407523972.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1c[nH]c([C@@H]2CC[N@@H+](C)C2)n1)C1CCCC1 ZINC000257257014 407523977 /nfs/dbraw/zinc/52/39/77/407523977.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 1 319.453 1.319 40 0 DDABMP C[N@H+](CC(=O)NCc1cnc([C@@H]2CC[NH+](C)C2)[nH]1)C1CCCC1 ZINC000257257014 407523981 /nfs/dbraw/zinc/52/39/81/407523981.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 1 319.453 1.319 40 0 DDABMP C[N@@H+](CC(=O)NCc1cnc([C@@H]2CC[NH+](C)C2)[nH]1)C1CCCC1 ZINC000257257014 407523985 /nfs/dbraw/zinc/52/39/85/407523985.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1cnc([C@@H]2CC[N@H+](C)C2)[nH]1)C1CCCC1 ZINC000257257014 407523988 /nfs/dbraw/zinc/52/39/88/407523988.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1cnc([C@@H]2CC[N@@H+](C)C2)[nH]1)C1CCCC1 ZINC000257257014 407523989 /nfs/dbraw/zinc/52/39/89/407523989.db2.gz KNSOABNVNSLRIB-CYBMUJFWSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](C)CCOCc1cncc2c1CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096189348 407247105 /nfs/dbraw/zinc/24/71/05/407247105.db2.gz HBKKCBIDOQWEND-HNNXBMFYSA-N 2 1 319.449 1.554 40 0 DDABMP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](CCc1ccccc1)C2 ZINC000096202027 407249849 /nfs/dbraw/zinc/24/98/49/407249849.db2.gz DBGPSAHXVNKNHH-IBGZPJMESA-N 2 1 318.461 1.900 40 0 DDABMP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](CCc1ccccc1)C2 ZINC000096202027 407249850 /nfs/dbraw/zinc/24/98/50/407249850.db2.gz DBGPSAHXVNKNHH-IBGZPJMESA-N 2 1 318.461 1.900 40 0 DDABMP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](CCc1ccccc1)C2 ZINC000096202027 407249852 /nfs/dbraw/zinc/24/98/52/407249852.db2.gz DBGPSAHXVNKNHH-IBGZPJMESA-N 2 1 318.461 1.900 40 0 DDABMP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](CCc1ccccc1)C2 ZINC000096202027 407249854 /nfs/dbraw/zinc/24/98/54/407249854.db2.gz DBGPSAHXVNKNHH-IBGZPJMESA-N 2 1 318.461 1.900 40 0 DDABMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203355 407371313 /nfs/dbraw/zinc/37/13/13/407371313.db2.gz GVLZGEQQVWRTNN-QZWWFDLISA-N 2 1 319.453 1.240 40 0 DDABMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203355 407371314 /nfs/dbraw/zinc/37/13/14/407371314.db2.gz GVLZGEQQVWRTNN-QZWWFDLISA-N 2 1 319.453 1.240 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203355 407371316 /nfs/dbraw/zinc/37/13/16/407371316.db2.gz GVLZGEQQVWRTNN-QZWWFDLISA-N 2 1 319.453 1.240 40 0 DDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107203355 407371317 /nfs/dbraw/zinc/37/13/17/407371317.db2.gz GVLZGEQQVWRTNN-QZWWFDLISA-N 2 1 319.453 1.240 40 0 DDABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415724 185170773 /nfs/dbraw/zinc/17/07/73/185170773.db2.gz JYXARWYHWBYJIE-SJORKVTESA-N 2 1 303.450 1.950 40 0 DDABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]12 ZINC000096185248 407244538 /nfs/dbraw/zinc/24/45/38/407244538.db2.gz VAAPXCBMRBBBCP-RKVPGOIHSA-N 2 1 318.417 1.814 40 0 DDABMP C[NH2+][C@H]1CC[N@H+](C)C[C@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495896 257120452 /nfs/dbraw/zinc/12/04/52/257120452.db2.gz GRTFZUQMANCAGR-KGLIPLIRSA-N 2 1 308.422 1.795 40 0 DDABMP C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1Cc1ccc(OC)c(OC)c1OC ZINC000242495896 257120454 /nfs/dbraw/zinc/12/04/54/257120454.db2.gz GRTFZUQMANCAGR-KGLIPLIRSA-N 2 1 308.422 1.795 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccco1 ZINC000096055198 407229977 /nfs/dbraw/zinc/22/99/77/407229977.db2.gz YYWQSROMSOGCRM-BHYGNILZSA-N 2 1 308.422 1.837 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccco1 ZINC000096055198 407229978 /nfs/dbraw/zinc/22/99/78/407229978.db2.gz YYWQSROMSOGCRM-BHYGNILZSA-N 2 1 308.422 1.837 40 0 DDABMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096184311 407244143 /nfs/dbraw/zinc/24/41/43/407244143.db2.gz GPXOGPUSWKNCEN-JKSUJKDBSA-N 2 1 317.433 1.626 40 0 DDABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)o1 ZINC000096056211 407229582 /nfs/dbraw/zinc/22/95/82/407229582.db2.gz RHXOILJVOAOXKF-NXHRZFHOSA-N 2 1 320.433 1.757 40 0 DDABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)o1 ZINC000096056211 407229584 /nfs/dbraw/zinc/22/95/84/407229584.db2.gz RHXOILJVOAOXKF-NXHRZFHOSA-N 2 1 320.433 1.757 40 0 DDABMP [NH3+]CC(=O)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404333 185169712 /nfs/dbraw/zinc/16/97/12/185169712.db2.gz SUPNLPDNTQRDGO-KRWDZBQOSA-N 2 1 301.434 1.991 40 0 DDABMP C[C@@H]([NH3+])C(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](C)CC2)C1 ZINC000072394792 296014756 /nfs/dbraw/zinc/01/47/56/296014756.db2.gz YCNQXHSTPRIQLA-RDTXWAMCSA-N 2 1 317.433 1.609 40 0 DDABMP CCN1CCC([N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257200492 407490200 /nfs/dbraw/zinc/49/02/00/407490200.db2.gz ADOFGBRKTVZYMS-IAGOWNOFSA-N 2 1 308.397 1.734 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccco1 ZINC000248061266 408530716 /nfs/dbraw/zinc/53/07/16/408530716.db2.gz YYWQSROMSOGCRM-XIRDDKMYSA-N 2 1 308.422 1.837 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccco1 ZINC000248061266 408530720 /nfs/dbraw/zinc/53/07/20/408530720.db2.gz YYWQSROMSOGCRM-XIRDDKMYSA-N 2 1 308.422 1.837 40 0 DDABMP CCc1ncc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cn1 ZINC000019523447 182128379 /nfs/dbraw/zinc/12/83/79/182128379.db2.gz WQWCLDCYPUEVNF-MRXNPFEDSA-N 2 1 324.432 1.812 40 0 DDABMP CCc1ncc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cn1 ZINC000019523447 182128380 /nfs/dbraw/zinc/12/83/80/182128380.db2.gz WQWCLDCYPUEVNF-MRXNPFEDSA-N 2 1 324.432 1.812 40 0 DDABMP Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)s1 ZINC000096054298 407229892 /nfs/dbraw/zinc/22/98/92/407229892.db2.gz AUNPDQLVULHEMD-CVEARBPZSA-N 2 1 309.479 1.503 40 0 DDABMP [NH3+]CC(=O)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404341 185169756 /nfs/dbraw/zinc/16/97/56/185169756.db2.gz HXLPPZVJGZMAQA-MRXNPFEDSA-N 2 1 301.434 1.848 40 0 DDABMP CC(=O)NCC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000119604848 195000122 /nfs/dbraw/zinc/00/01/22/195000122.db2.gz ZSFRRKZHEZIXGS-BZSNNMDCSA-N 2 1 301.434 1.623 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051940 407228485 /nfs/dbraw/zinc/22/84/85/407228485.db2.gz MGSOSEMGQBJQTO-SJLPKXTDSA-N 2 1 322.424 1.995 40 0 DDABMP COc1ccc(-c2nnc3n2C2(CC[NH2+]CC2)C[N@H+](C)C3)cc1 ZINC000306135075 286265026 /nfs/dbraw/zinc/26/50/26/286265026.db2.gz OHDLXFNIRMWNDQ-UHFFFAOYSA-N 2 1 313.405 1.478 40 0 DDABMP COc1ccc(C[N@H+]2CC[C@@H](NCCC[NH+](C)C)[C@H](O)C2)cc1 ZINC000012146524 406836966 /nfs/dbraw/zinc/83/69/66/406836966.db2.gz GYNOKNLWVJPMII-QZTJIDSGSA-N 2 1 321.465 1.172 40 0 DDABMP COc1ccc(CN2CC[C@@H]([NH2+]CCC[NH+](C)C)[C@H](O)C2)cc1 ZINC000012146524 406836968 /nfs/dbraw/zinc/83/69/68/406836968.db2.gz GYNOKNLWVJPMII-QZTJIDSGSA-N 2 1 321.465 1.172 40 0 DDABMP C[NH+]1CCC([NH2+]C[C@H]2COCc3nc4cccnc4n32)CC1 ZINC000096112792 273869761 /nfs/dbraw/zinc/86/97/61/273869761.db2.gz RFOCFKONWBIJQP-ZDUSSCGKSA-N 2 1 301.394 1.186 40 0 biogenic,in-vitro DDABMP Nc1cc(CC[C@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)cc[nH+]1 ZINC000257317216 203041762 /nfs/dbraw/zinc/04/17/62/203041762.db2.gz VIVSGGIHOOIGNC-INIZCTEOSA-N 2 1 319.449 1.992 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000096052295 407228424 /nfs/dbraw/zinc/22/84/24/407228424.db2.gz OWGGTNZSCUXPGU-IRXDYDNUSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000096052295 407228425 /nfs/dbraw/zinc/22/84/25/407228425.db2.gz OWGGTNZSCUXPGU-IRXDYDNUSA-N 2 1 305.422 1.393 40 0 DDABMP CCC[N@H+]1CCc2nc3n(c(=O)c2C1)[C@@H](C[NH+](C)CC)CCC3 ZINC000306144287 276263783 /nfs/dbraw/zinc/26/37/83/276263783.db2.gz ZBHBGFBGGYMNET-CQSZACIVSA-N 2 1 318.465 1.841 40 0 DDABMP CCC[NH+]1CCc2nc3n(c(=O)c2C1)[C@@H](C[N@H+](C)CC)CCC3 ZINC000306144287 276263786 /nfs/dbraw/zinc/26/37/86/276263786.db2.gz ZBHBGFBGGYMNET-CQSZACIVSA-N 2 1 318.465 1.841 40 0 DDABMP CCC[NH+]1CCc2nc3n(c(=O)c2C1)[C@@H](C[N@@H+](C)CC)CCC3 ZINC000306144287 276263787 /nfs/dbraw/zinc/26/37/87/276263787.db2.gz ZBHBGFBGGYMNET-CQSZACIVSA-N 2 1 318.465 1.841 40 0 DDABMP c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH2+]C3)nc1 ZINC000306125190 534490271 /nfs/dbraw/zinc/49/02/71/534490271.db2.gz CIOMOXDUAKJLAK-AEFFLSMTSA-N 2 1 301.434 1.920 40 0 DDABMP COc1ncccc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC000096184313 353914039 /nfs/dbraw/zinc/91/40/39/353914039.db2.gz RHBSKZYEZKBUBK-JKSUJKDBSA-N 2 1 304.438 1.300 40 0 DDABMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249603 407256316 /nfs/dbraw/zinc/25/63/16/407256316.db2.gz HMGHOPJVAFQXEN-SJLPKXTDSA-N 2 1 322.424 1.995 40 0 DDABMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249603 407256317 /nfs/dbraw/zinc/25/63/17/407256317.db2.gz HMGHOPJVAFQXEN-SJLPKXTDSA-N 2 1 322.424 1.995 40 0 DDABMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249603 407256320 /nfs/dbraw/zinc/25/63/20/407256320.db2.gz HMGHOPJVAFQXEN-SJLPKXTDSA-N 2 1 322.424 1.995 40 0 DDABMP C[C@@H]1C[N@@H+](Cc2nccs2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201644 407248631 /nfs/dbraw/zinc/24/86/31/407248631.db2.gz ULRZNEWIYBHQMV-CZUORRHYSA-N 2 1 322.478 1.375 40 0 DDABMP CN(C)c1cc(C[C@@H]2C[NH2+]CC[N@H+](C3CCCC3)C2)ncn1 ZINC000072355042 191128812 /nfs/dbraw/zinc/12/88/12/191128812.db2.gz YOEOAKQPSJVODK-CQSZACIVSA-N 2 1 303.454 1.549 40 0 DDABMP O[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1 ZINC000072394705 406881616 /nfs/dbraw/zinc/88/16/16/406881616.db2.gz PRGUSTUJRDFUNH-KBPBESRZSA-N 2 1 314.433 1.987 40 0 DDABMP C[NH+]1CCC([NH2+]C[C@H]2COCc3nc4cc(F)ccc4n32)CC1 ZINC000096112726 407238409 /nfs/dbraw/zinc/23/84/09/407238409.db2.gz KQIWKWYVONMRDW-AWEZNQCLSA-N 2 1 318.396 1.931 40 0 biogenic,in-vitro DDABMP C[C@@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443134 185366923 /nfs/dbraw/zinc/36/69/23/185366923.db2.gz ILXKADWHYPCQNI-MYGHJELWSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@@H]1CC[C@@H](CO)C[N@H+]1C/C=C/C[NH+]1C[C@H](CO)CC[C@@H]1C ZINC000095443134 185366924 /nfs/dbraw/zinc/36/69/24/185366924.db2.gz ILXKADWHYPCQNI-MYGHJELWSA-N 2 1 310.482 1.728 40 0 DDABMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1C/C=C/C[NH+]1C[C@H](CO)CC[C@@H]1C ZINC000095443134 185366925 /nfs/dbraw/zinc/36/69/25/185366925.db2.gz ILXKADWHYPCQNI-MYGHJELWSA-N 2 1 310.482 1.728 40 0 DDABMP O[C@@H]1C[C@H](C[NH2+]Cc2ccccc2)[C@@H]([NH+]2CCCCC2)[C@@H]1O ZINC000257320751 203045225 /nfs/dbraw/zinc/04/52/25/203045225.db2.gz VYLBCFKHHGXYGZ-BRSBDYLESA-N 2 1 304.434 1.372 40 0 DDABMP [NH3+]CC(=O)N1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391058 407053783 /nfs/dbraw/zinc/05/37/83/407053783.db2.gz OUECZEZLSXSEQZ-UHFFFAOYSA-N 2 1 301.434 1.848 40 0 DDABMP c1cnc2[nH]c([C@H]3CCC[NH2+]C3)c(C[NH+]3CCOCC3)c2c1 ZINC000072394707 191150067 /nfs/dbraw/zinc/15/00/67/191150067.db2.gz GNFFVPWNYPZQDP-ZDUSSCGKSA-N 2 1 300.406 1.862 40 0 DDABMP CCOc1ccc2[nH]c(=O)c(C[NH2+]CCC[NH+](C)C)cc2c1 ZINC000012706463 406851385 /nfs/dbraw/zinc/85/13/85/406851385.db2.gz AAELIDNVVBPTBI-UHFFFAOYSA-N 2 1 303.406 1.968 40 0 DDABMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCOC2)Cc2cccnc21 ZINC000247991467 282101526 /nfs/dbraw/zinc/10/15/26/282101526.db2.gz LONKUNSQFKOFCE-OAHLLOKOSA-N 2 1 304.438 1.302 40 0 DDABMP c1cnc2[nH]c([C@@H]3CCC[NH2+]C3)c(C[NH+]3CCOCC3)c2c1 ZINC000072394706 191149700 /nfs/dbraw/zinc/14/97/00/191149700.db2.gz GNFFVPWNYPZQDP-CYBMUJFWSA-N 2 1 300.406 1.862 40 0 DDABMP CC[NH+]1CCC([N@@H+]2CCOC[C@@H](Cc3cc(=O)[nH]cn3)C2)CC1 ZINC000257292338 203017983 /nfs/dbraw/zinc/01/79/83/203017983.db2.gz QLAVWUIRAPHQIB-AWEZNQCLSA-N 2 1 320.437 1.157 40 0 DDABMP CC[NH+]1CCC([N@H+]2CCOC[C@@H](Cc3cc(=O)[nH]cn3)C2)CC1 ZINC000257292338 203017985 /nfs/dbraw/zinc/01/79/85/203017985.db2.gz QLAVWUIRAPHQIB-AWEZNQCLSA-N 2 1 320.437 1.157 40 0 DDABMP c1cncc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000096056254 407229110 /nfs/dbraw/zinc/22/91/10/407229110.db2.gz POUCMKAZIIYYGZ-OKZBNKHCSA-N 2 1 317.433 1.251 40 0 DDABMP c1cncc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000096056254 407229112 /nfs/dbraw/zinc/22/91/12/407229112.db2.gz POUCMKAZIIYYGZ-OKZBNKHCSA-N 2 1 317.433 1.251 40 0 DDABMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)C1=O ZINC000096073938 407234706 /nfs/dbraw/zinc/23/47/06/407234706.db2.gz NVXVQWWZPPCOGC-SFHVURJKSA-N 2 1 316.449 1.458 40 0 DDABMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201647 407248670 /nfs/dbraw/zinc/24/86/70/407248670.db2.gz VSRWNSKKXIQXPN-CRAIPNDOSA-N 2 1 316.449 1.314 40 0 DDABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415727 185170653 /nfs/dbraw/zinc/17/06/53/185170653.db2.gz JYXARWYHWBYJIE-IRXDYDNUSA-N 2 1 303.450 1.950 40 0 DDABMP NC(=O)C[NH+]1CCC([C@@H]2CCCC[N@@H+]2Cc2ccccn2)CC1 ZINC000072367849 191137005 /nfs/dbraw/zinc/13/70/05/191137005.db2.gz MQKPZEJESRFKKZ-KRWDZBQOSA-N 2 1 316.449 1.633 40 0 DDABMP NC(=O)C[NH+]1CCC([C@@H]2CCCC[N@H+]2Cc2ccccn2)CC1 ZINC000072367849 191137007 /nfs/dbraw/zinc/13/70/07/191137007.db2.gz MQKPZEJESRFKKZ-KRWDZBQOSA-N 2 1 316.449 1.633 40 0 DDABMP CNc1cc(C[N@H+](C)CC2=CCCOC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759980 182144723 /nfs/dbraw/zinc/14/47/23/182144723.db2.gz KSGIZYMBLLVAHV-OAHLLOKOSA-N 2 1 317.437 1.721 40 0 DDABMP CNc1cc(C[N@@H+](C)CC2=CCCOC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759980 182144728 /nfs/dbraw/zinc/14/47/28/182144728.db2.gz KSGIZYMBLLVAHV-OAHLLOKOSA-N 2 1 317.437 1.721 40 0 DDABMP COc1ncccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC000096184314 407244067 /nfs/dbraw/zinc/24/40/67/407244067.db2.gz RHBSKZYEZKBUBK-HOTGVXAUSA-N 2 1 304.438 1.300 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000247945724 408516570 /nfs/dbraw/zinc/51/65/70/408516570.db2.gz BABJFZUNUDAGBC-BZSNNMDCSA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000247945724 408516574 /nfs/dbraw/zinc/51/65/74/408516574.db2.gz BABJFZUNUDAGBC-BZSNNMDCSA-N 2 1 319.449 1.639 40 0 DDABMP Cc1noc(C)c1C[N@H+]1C[C@H]2OC[C@@H](C[NH+]3CCCC3)[C@H]2C1 ZINC000306141061 534363568 /nfs/dbraw/zinc/36/35/68/534363568.db2.gz VKNVVRDRJFUFCL-DJIMGWMZSA-N 2 1 305.422 1.834 40 0 DDABMP CCc1ncc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cn1 ZINC000019523446 182128246 /nfs/dbraw/zinc/12/82/46/182128246.db2.gz WQWCLDCYPUEVNF-INIZCTEOSA-N 2 1 324.432 1.812 40 0 DDABMP CCc1ncc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cn1 ZINC000019523446 182128247 /nfs/dbraw/zinc/12/82/47/182128247.db2.gz WQWCLDCYPUEVNF-INIZCTEOSA-N 2 1 324.432 1.812 40 0 DDABMP CC[N@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242439 407254892 /nfs/dbraw/zinc/25/48/92/407254892.db2.gz NNNGIJNKZXNRNB-UHFFFAOYSA-N 2 1 315.461 1.944 40 0 DDABMP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@@H]32)CC1 ZINC000096056257 407229549 /nfs/dbraw/zinc/22/95/49/407229549.db2.gz RRQUDCAZBCAIBP-OKZBNKHCSA-N 2 1 319.449 1.364 40 0 DDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@H+](Cc4ccoc4)C[C@@H]32)CC1 ZINC000096056257 407229552 /nfs/dbraw/zinc/22/95/52/407229552.db2.gz RRQUDCAZBCAIBP-OKZBNKHCSA-N 2 1 319.449 1.364 40 0 DDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@@H]32)CC1 ZINC000096056257 407229554 /nfs/dbraw/zinc/22/95/54/407229554.db2.gz RRQUDCAZBCAIBP-OKZBNKHCSA-N 2 1 319.449 1.364 40 0 DDABMP C[NH+](C)CCN1CCO[C@@H]2CC[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000248056667 408531917 /nfs/dbraw/zinc/53/19/17/408531917.db2.gz YGYJZNXSFYERDM-IAGOWNOFSA-N 2 1 323.506 1.975 40 0 DDABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079394282 185168740 /nfs/dbraw/zinc/16/87/40/185168740.db2.gz MBHIXGUSEKELLO-IRXDYDNUSA-N 2 1 303.450 1.950 40 0 DDABMP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]21 ZINC000107202964 407370755 /nfs/dbraw/zinc/37/07/55/407370755.db2.gz UCYYIAFGGFOXIZ-ILXRZTDVSA-N 2 1 322.478 1.516 40 0 DDABMP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]21 ZINC000107202964 407370756 /nfs/dbraw/zinc/37/07/56/407370756.db2.gz UCYYIAFGGFOXIZ-ILXRZTDVSA-N 2 1 322.478 1.516 40 0 DDABMP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000107202974 407371105 /nfs/dbraw/zinc/37/11/05/407371105.db2.gz XSOMKTSMCNNMHK-NJAFHUGGSA-N 2 1 316.449 1.455 40 0 DDABMP Cc1cccc(NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306127449 231086480 /nfs/dbraw/zinc/08/64/80/231086480.db2.gz FYWBHXJWXMCKLY-OAHLLOKOSA-N 2 1 303.406 1.386 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051938 407228110 /nfs/dbraw/zinc/22/81/10/407228110.db2.gz MGSOSEMGQBJQTO-AEFFLSMTSA-N 2 1 322.424 1.995 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096051950 407228457 /nfs/dbraw/zinc/22/84/57/407228457.db2.gz CPEBGDBPPODJBJ-SJORKVTESA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096051950 407228461 /nfs/dbraw/zinc/22/84/61/407228461.db2.gz CPEBGDBPPODJBJ-SJORKVTESA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)CCOCc1cncc2c1CC[N@@H+]([C@H]1CCOC1)C2 ZINC000096189351 407246924 /nfs/dbraw/zinc/24/69/24/407246924.db2.gz CMDMRHBVMQIGQD-INIZCTEOSA-N 2 1 305.422 1.307 40 0 DDABMP C[NH+](C)CCOCc1cncc2c1CC[N@H+]([C@H]1CCOC1)C2 ZINC000096189351 407246927 /nfs/dbraw/zinc/24/69/27/407246927.db2.gz CMDMRHBVMQIGQD-INIZCTEOSA-N 2 1 305.422 1.307 40 0 DDABMP C[N@@H+](CC(=O)NCc1c[nH]c([C@H]2CC[NH+](C)C2)n1)C1CCCC1 ZINC000257257015 407524269 /nfs/dbraw/zinc/52/42/69/407524269.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1c[nH]c([C@H]2CC[N@H+](C)C2)n1)C1CCCC1 ZINC000257257015 407524274 /nfs/dbraw/zinc/52/42/74/407524274.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1c[nH]c([C@H]2CC[N@@H+](C)C2)n1)C1CCCC1 ZINC000257257015 407524279 /nfs/dbraw/zinc/52/42/79/407524279.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 1 319.453 1.319 40 0 DDABMP C[N@H+](CC(=O)NCc1cnc([C@H]2CC[NH+](C)C2)[nH]1)C1CCCC1 ZINC000257257015 407524282 /nfs/dbraw/zinc/52/42/82/407524282.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 1 319.453 1.319 40 0 DDABMP C[N@@H+](CC(=O)NCc1cnc([C@H]2CC[NH+](C)C2)[nH]1)C1CCCC1 ZINC000257257015 407524286 /nfs/dbraw/zinc/52/42/86/407524286.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1cnc([C@H]2CC[N@H+](C)C2)[nH]1)C1CCCC1 ZINC000257257015 407524289 /nfs/dbraw/zinc/52/42/89/407524289.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 1 319.453 1.319 40 0 DDABMP C[NH+](CC(=O)NCc1cnc([C@H]2CC[N@@H+](C)C2)[nH]1)C1CCCC1 ZINC000257257015 407524292 /nfs/dbraw/zinc/52/42/92/407524292.db2.gz KNSOABNVNSLRIB-ZDUSSCGKSA-N 2 1 319.453 1.319 40 0 DDABMP COC[C@H]1CC2(C[N@H+]1CC(=O)N(C)C)CC[NH+](C1CCC1)CC2 ZINC000096206130 293190103 /nfs/dbraw/zinc/19/01/03/293190103.db2.gz KTBIINOFXGHMMU-MRXNPFEDSA-N 2 1 323.481 1.430 40 0 DDABMP CN(C)CC[N@@H+]1CCOCC2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000096239841 407254783 /nfs/dbraw/zinc/25/47/83/407254783.db2.gz VBYDCEMTZMWFMI-UHFFFAOYSA-N 2 1 321.465 1.756 40 0 DDABMP CN(C)CC[N@H+]1CCOCC2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000096239841 407254784 /nfs/dbraw/zinc/25/47/84/407254784.db2.gz VBYDCEMTZMWFMI-UHFFFAOYSA-N 2 1 321.465 1.756 40 0 DDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000096056482 407231266 /nfs/dbraw/zinc/23/12/66/407231266.db2.gz NMKGLHLUBZYYTE-HZPDHXFCSA-N 2 1 309.454 1.040 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000096052296 407227931 /nfs/dbraw/zinc/22/79/31/407227931.db2.gz OWGGTNZSCUXPGU-SJORKVTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000096052296 407227933 /nfs/dbraw/zinc/22/79/33/407227933.db2.gz OWGGTNZSCUXPGU-SJORKVTESA-N 2 1 305.422 1.393 40 0 DDABMP Cc1[nH+]ccn1CCNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000257207300 407495095 /nfs/dbraw/zinc/49/50/95/407495095.db2.gz BHDHYIHSRBDKQN-UHFFFAOYSA-N 2 1 300.410 1.869 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000247941388 408515573 /nfs/dbraw/zinc/51/55/73/408515573.db2.gz ACAYDEMXNRJPKB-KSZLIROESA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccncc1 ZINC000247941388 408515583 /nfs/dbraw/zinc/51/55/83/408515583.db2.gz ACAYDEMXNRJPKB-KSZLIROESA-N 2 1 319.449 1.639 40 0 DDABMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@]1(C)C[N@H+](C)CCO1 ZINC000072378285 191140477 /nfs/dbraw/zinc/14/04/77/191140477.db2.gz JWBFHRAOEVZCQB-QGZVFWFLSA-N 2 1 305.422 1.085 40 0 DDABMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@]1(C)C[N@@H+](C)CCO1 ZINC000072378285 191140480 /nfs/dbraw/zinc/14/04/80/191140480.db2.gz JWBFHRAOEVZCQB-QGZVFWFLSA-N 2 1 305.422 1.085 40 0 DDABMP Cc1ccc(C[N@@H+]2C[C@H](OCC[NH+](C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096057451 407230497 /nfs/dbraw/zinc/23/04/97/407230497.db2.gz XEZADPFSGPLMEL-IKGGRYGDSA-N 2 1 308.422 1.898 40 0 DDABMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+](CC1CC1)C2 ZINC000096059589 407231632 /nfs/dbraw/zinc/23/16/32/407231632.db2.gz HSCAFKLZUMSFEV-UHFFFAOYSA-N 2 1 302.422 1.455 40 0 DDABMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@H+](CC1CC1)C2 ZINC000096059589 407231635 /nfs/dbraw/zinc/23/16/35/407231635.db2.gz HSCAFKLZUMSFEV-UHFFFAOYSA-N 2 1 302.422 1.455 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000096160182 407241486 /nfs/dbraw/zinc/24/14/86/407241486.db2.gz IWXKGMUKUPLKFK-IRXDYDNUSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000096160182 407241487 /nfs/dbraw/zinc/24/14/87/407241487.db2.gz IWXKGMUKUPLKFK-IRXDYDNUSA-N 2 1 305.422 1.393 40 0 DDABMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096196870 407246739 /nfs/dbraw/zinc/24/67/39/407246739.db2.gz MMPSOXVHPKLLMZ-HNNXBMFYSA-N 2 1 304.438 1.374 40 0 DDABMP COc1cc(C[N@H+]2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)cc(OC)c1 ZINC000247980368 408523588 /nfs/dbraw/zinc/52/35/88/408523588.db2.gz JIUCXKKBTVWHJH-ZTFGCOKTSA-N 2 1 320.433 1.712 40 0 DDABMP CC(=O)NCC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000119605083 195000953 /nfs/dbraw/zinc/00/09/53/195000953.db2.gz ZSFRRKZHEZIXGS-SQNIBIBYSA-N 2 1 301.434 1.623 40 0 DDABMP C[C@@H]([NH3+])C(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](C)CC2)C1 ZINC000072394790 406881623 /nfs/dbraw/zinc/88/16/23/406881623.db2.gz YCNQXHSTPRIQLA-KDOFPFPSSA-N 2 1 317.433 1.609 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051948 407228517 /nfs/dbraw/zinc/22/85/17/407228517.db2.gz HSJPIXOFMDWNDM-NVXWUHKLSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051948 407228520 /nfs/dbraw/zinc/22/85/20/407228520.db2.gz HSJPIXOFMDWNDM-NVXWUHKLSA-N 2 1 305.422 1.251 40 0 DDABMP C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415644 185170635 /nfs/dbraw/zinc/17/06/35/185170635.db2.gz MKTFKZXKTYBMSP-YOEHRIQHSA-N 2 1 301.434 1.989 40 0 DDABMP O[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1 ZINC000072394704 191149365 /nfs/dbraw/zinc/14/93/65/191149365.db2.gz PRGUSTUJRDFUNH-KGLIPLIRSA-N 2 1 314.433 1.987 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096051952 407227864 /nfs/dbraw/zinc/22/78/64/407227864.db2.gz CPEBGDBPPODJBJ-IAGOWNOFSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096051952 407227866 /nfs/dbraw/zinc/22/78/66/407227866.db2.gz CPEBGDBPPODJBJ-IAGOWNOFSA-N 2 1 305.422 1.251 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccco1 ZINC000096055196 407229998 /nfs/dbraw/zinc/22/99/98/407229998.db2.gz YYWQSROMSOGCRM-USXIJHARSA-N 2 1 308.422 1.837 40 0 DDABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccco1 ZINC000096055196 407229999 /nfs/dbraw/zinc/22/99/99/407229999.db2.gz YYWQSROMSOGCRM-USXIJHARSA-N 2 1 308.422 1.837 40 0 DDABMP CC(=O)N[C@]12C[N@H+](Cc3cccc4cccnc43)C[C@H]1C[NH2+]CC2 ZINC000019713770 352169797 /nfs/dbraw/zinc/16/97/97/352169797.db2.gz HURIPCXMYLRMGP-IEBWSBKVSA-N 2 1 324.428 1.535 40 0 DDABMP CC(=O)N[C@]12C[N@@H+](Cc3cccc4cccnc43)C[C@H]1C[NH2+]CC2 ZINC000019713770 352169803 /nfs/dbraw/zinc/16/98/03/352169803.db2.gz HURIPCXMYLRMGP-IEBWSBKVSA-N 2 1 324.428 1.535 40 0 DDABMP C[C@@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@@H+]1C[C@@H](CO)CC[C@H]1C ZINC000252486325 354383386 /nfs/dbraw/zinc/38/33/86/354383386.db2.gz ILXKADWHYPCQNI-MAXJFLJGSA-N 2 1 310.482 1.728 40 0 DDABMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)cn1 ZINC000096081527 407234790 /nfs/dbraw/zinc/23/47/90/407234790.db2.gz FIQAFTYTDQRPLS-SJORKVTESA-N 2 1 300.406 1.967 40 0 DDABMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)cn1 ZINC000096081527 407234791 /nfs/dbraw/zinc/23/47/91/407234791.db2.gz FIQAFTYTDQRPLS-SJORKVTESA-N 2 1 300.406 1.967 40 0 DDABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccoc4)C[C@@H]3C2)cn1 ZINC000096081527 407234793 /nfs/dbraw/zinc/23/47/93/407234793.db2.gz FIQAFTYTDQRPLS-SJORKVTESA-N 2 1 300.406 1.967 40 0 DDABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccoc4)C[C@@H]3C2)cn1 ZINC000096081527 407234795 /nfs/dbraw/zinc/23/47/95/407234795.db2.gz FIQAFTYTDQRPLS-SJORKVTESA-N 2 1 300.406 1.967 40 0 DDABMP CCc1[nH+]ccn1CCC(=O)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257263316 407525596 /nfs/dbraw/zinc/52/55/96/407525596.db2.gz LPHJIIQYAVEYDQ-LSDHHAIUSA-N 2 1 304.438 1.826 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000096052294 407227882 /nfs/dbraw/zinc/22/78/82/407227882.db2.gz OWGGTNZSCUXPGU-IAGOWNOFSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000096052294 407227884 /nfs/dbraw/zinc/22/78/84/407227884.db2.gz OWGGTNZSCUXPGU-IAGOWNOFSA-N 2 1 305.422 1.393 40 0 DDABMP C[C@H]([NH3+])C(=O)N1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415652 185170578 /nfs/dbraw/zinc/17/05/78/185170578.db2.gz YTLJKJZOUDPNIX-AWEZNQCLSA-N 2 1 301.434 1.989 40 0 DDABMP Cc1[nH+]ccn1CCN(C)c1cc([C@@H]2C[NH2+]CCO2)nc(C)n1 ZINC000072387089 191145639 /nfs/dbraw/zinc/14/56/39/191145639.db2.gz CBYLGYMTUFTZBK-HNNXBMFYSA-N 2 1 316.409 1.087 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000096052299 407228669 /nfs/dbraw/zinc/22/86/69/407228669.db2.gz ICJZIWPIGQDQOU-IRXDYDNUSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000096052299 407228671 /nfs/dbraw/zinc/22/86/71/407228671.db2.gz ICJZIWPIGQDQOU-IRXDYDNUSA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000096160183 407241451 /nfs/dbraw/zinc/24/14/51/407241451.db2.gz IWXKGMUKUPLKFK-SJORKVTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000096160183 407241454 /nfs/dbraw/zinc/24/14/54/407241454.db2.gz IWXKGMUKUPLKFK-SJORKVTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000096160177 407241512 /nfs/dbraw/zinc/24/15/12/407241512.db2.gz IWXKGMUKUPLKFK-DLBZAZTESA-N 2 1 305.422 1.393 40 0 DDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000096160177 407241515 /nfs/dbraw/zinc/24/15/15/407241515.db2.gz IWXKGMUKUPLKFK-DLBZAZTESA-N 2 1 305.422 1.393 40 0 DDABMP CC[NH+](CC)Cc1cnc2n1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096196836 407246953 /nfs/dbraw/zinc/24/69/53/407246953.db2.gz VTLZAYQCAMSRSF-OAHLLOKOSA-N 2 1 306.454 1.620 40 0 DDABMP COc1ncccc1C[N@H+]1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC000107198933 407370434 /nfs/dbraw/zinc/37/04/34/407370434.db2.gz RHBSKZYEZKBUBK-CVEARBPZSA-N 2 1 304.438 1.300 40 0 DDABMP