smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164391750 718824560 /nfs/dbraw/zinc/82/45/60/718824560.db2.gz WXAZVKZFJQANEM-ROUUACIJSA-N 2 1 427.618 3.123 20 0 IGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614743 719017416 /nfs/dbraw/zinc/01/74/16/719017416.db2.gz GHNJHTRYPJAGAQ-SQNIBIBYSA-N 2 1 443.617 3.024 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)COC(=O)Nc2cccnc2Cl)c2c1CC[NH2+]C2 ZINC001164679624 719650093 /nfs/dbraw/zinc/65/00/93/719650093.db2.gz IVGCINWFRKZTMJ-UHFFFAOYSA-N 2 1 442.898 3.215 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)COC(=O)Nc2cccnc2Cl)c2c1CC[NH2+]C2 ZINC001164679624 719650102 /nfs/dbraw/zinc/65/01/02/719650102.db2.gz IVGCINWFRKZTMJ-UHFFFAOYSA-N 2 1 442.898 3.215 20 0 IGADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164711741 720138389 /nfs/dbraw/zinc/13/83/89/720138389.db2.gz JDKDWXVVNWAKHO-QFIPXVFZSA-N 2 1 436.604 3.369 20 0 IGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164711741 720138394 /nfs/dbraw/zinc/13/83/94/720138394.db2.gz JDKDWXVVNWAKHO-QFIPXVFZSA-N 2 1 436.604 3.369 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001164823890 720322591 /nfs/dbraw/zinc/32/25/91/720322591.db2.gz BODVLZAUKPYLFK-VXKWHMMOSA-N 2 1 436.604 3.458 20 0 IGADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]cc21 ZINC001164840826 720592182 /nfs/dbraw/zinc/59/21/82/720592182.db2.gz QYECULDINBRLIV-JBYIUTFZSA-N 2 1 436.560 3.314 20 0 IGADMP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N(C)C)[nH+]1 ZINC001164755897 720874440 /nfs/dbraw/zinc/87/44/40/720874440.db2.gz ZSPCCOGSXQLGMT-RCZVLFRGSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164755897 720874445 /nfs/dbraw/zinc/87/44/45/720874445.db2.gz ZSPCCOGSXQLGMT-RCZVLFRGSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164755897 720874451 /nfs/dbraw/zinc/87/44/51/720874451.db2.gz ZSPCCOGSXQLGMT-RCZVLFRGSA-N 2 1 436.604 3.001 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164789318 721464406 /nfs/dbraw/zinc/46/44/06/721464406.db2.gz WWPTYPBSRPMGAD-LJQANCHMSA-N 2 1 449.039 3.115 20 0 IGADMP CC[NH+](CC)C1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)CC1 ZINC001165054126 722004722 /nfs/dbraw/zinc/00/47/22/722004722.db2.gz ZYBPLKFNLIDCHE-IBGZPJMESA-N 2 1 445.652 3.191 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164980563 722122814 /nfs/dbraw/zinc/12/28/14/722122814.db2.gz RVMYKNUHCLZGSO-RDPSFJRHSA-N 2 1 434.540 3.374 20 0 IGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165004488 722257590 /nfs/dbraw/zinc/25/75/90/722257590.db2.gz SMBGHYYNDASCFG-QFIPXVFZSA-N 2 1 426.609 3.314 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164391153 718824466 /nfs/dbraw/zinc/82/44/66/718824466.db2.gz SWSYXEQBIKXTKG-NZSAHSFTSA-N 2 1 441.645 3.369 20 0 IGADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164432329 718970852 /nfs/dbraw/zinc/97/08/52/718970852.db2.gz GICDXCGQQHIUHO-IOMROCGXSA-N 2 1 440.510 3.150 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C(=O)NC3CCCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680231 719641291 /nfs/dbraw/zinc/64/12/91/719641291.db2.gz SUNNQTDLHYLKMT-UHFFFAOYSA-N 2 1 430.984 3.079 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C(=O)NC3CCCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680231 719641294 /nfs/dbraw/zinc/64/12/94/719641294.db2.gz SUNNQTDLHYLKMT-UHFFFAOYSA-N 2 1 430.984 3.079 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832805 720524597 /nfs/dbraw/zinc/52/45/97/720524597.db2.gz BLALPCQGKDCGKM-IRFCIJBXSA-N 2 1 444.027 3.171 20 0 IGADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]cc21 ZINC001164840830 720593987 /nfs/dbraw/zinc/59/39/87/720593987.db2.gz QYECULDINBRLIV-NJNPRVFISA-N 2 1 436.560 3.314 20 0 IGADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754420 720867999 /nfs/dbraw/zinc/86/79/99/720867999.db2.gz RRPBCNTZEZCEJJ-SQJMNOBHSA-N 2 1 434.588 3.201 20 0 IGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754420 720868000 /nfs/dbraw/zinc/86/80/00/720868000.db2.gz RRPBCNTZEZCEJJ-SQJMNOBHSA-N 2 1 434.588 3.201 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754851 720876987 /nfs/dbraw/zinc/87/69/87/720876987.db2.gz TXUDFVWJEAHZJK-SQJMNOBHSA-N 2 1 432.572 3.118 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754851 720876988 /nfs/dbraw/zinc/87/69/88/720876988.db2.gz TXUDFVWJEAHZJK-SQJMNOBHSA-N 2 1 432.572 3.118 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1 ZINC001164780060 721358773 /nfs/dbraw/zinc/35/87/73/721358773.db2.gz CUMJQIVQNGKQKY-DEOSSOPVSA-N 2 1 425.577 3.406 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2 ZINC001164790336 721447973 /nfs/dbraw/zinc/44/79/73/721447973.db2.gz YJWFMXVYFMOEGQ-JOCHJYFZSA-N 2 1 443.636 3.119 20 0 IGADMP CCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001165025350 721817815 /nfs/dbraw/zinc/81/78/15/721817815.db2.gz MRYDJIVJBJAURT-WWPVKYPJSA-N 2 1 436.604 3.008 20 0 IGADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)[nH+]cc21 ZINC001164961485 722059501 /nfs/dbraw/zinc/05/95/01/722059501.db2.gz KTDVWGJSWOBYER-UHFFFAOYSA-N 2 1 449.555 3.254 20 0 IGADMP OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401613 718853267 /nfs/dbraw/zinc/85/32/67/718853267.db2.gz CKFXROWHVBLZHJ-DFBJGRDBSA-N 2 1 449.624 3.362 20 0 IGADMP C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164404235 718863931 /nfs/dbraw/zinc/86/39/31/718863931.db2.gz ANGDXDZXWLXKQZ-MJGOQNOKSA-N 2 1 441.645 3.371 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164408497 718864334 /nfs/dbraw/zinc/86/43/34/718864334.db2.gz MEXSEYDGMRFAPC-ZHALLVOQSA-N 2 1 441.645 3.227 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C(=O)N3CCCCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679508 719640078 /nfs/dbraw/zinc/64/00/78/719640078.db2.gz DHPIGOLCESCSQP-UHFFFAOYSA-N 2 1 430.984 3.033 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C(=O)N3CCCCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679508 719640092 /nfs/dbraw/zinc/64/00/92/719640092.db2.gz DHPIGOLCESCSQP-UHFFFAOYSA-N 2 1 430.984 3.033 20 0 IGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)cs1 ZINC001164692626 719815947 /nfs/dbraw/zinc/81/59/47/719815947.db2.gz PODMPTXRUDGOFK-UHFFFAOYSA-N 2 1 442.633 3.255 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832808 720524540 /nfs/dbraw/zinc/52/45/40/720524540.db2.gz BLALPCQGKDCGKM-SVFBPWRDSA-N 2 1 444.027 3.171 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164892385 721446156 /nfs/dbraw/zinc/44/61/56/721446156.db2.gz IKQGDOOJCGWGIE-MZKUHISZSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892385 721446158 /nfs/dbraw/zinc/44/61/58/721446158.db2.gz IKQGDOOJCGWGIE-MZKUHISZSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892385 721446162 /nfs/dbraw/zinc/44/61/62/721446162.db2.gz IKQGDOOJCGWGIE-MZKUHISZSA-N 2 1 441.664 3.394 20 0 IGADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164902639 721548336 /nfs/dbraw/zinc/54/83/36/721548336.db2.gz ASGCJSUVCMDIOG-UNMCSNQZSA-N 2 1 426.536 3.037 20 0 IGADMP Cc1ccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960615 722025490 /nfs/dbraw/zinc/02/54/90/722025490.db2.gz LLFOWZBOIHCTKL-WMZHIEFXSA-N 2 1 442.995 3.478 20 0 IGADMP COCc1nn(-c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1C[NH2+]C2 ZINC001164715349 720079123 /nfs/dbraw/zinc/07/91/23/720079123.db2.gz ZLZTUMNKAREZRS-UHFFFAOYSA-N 2 1 438.601 3.347 20 0 IGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2 ZINC001164712718 720092419 /nfs/dbraw/zinc/09/24/19/720092419.db2.gz YMXYFSJTJVLDKN-JOCHJYFZSA-N 2 1 436.604 3.288 20 0 IGADMP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164732630 720557944 /nfs/dbraw/zinc/55/79/44/720557944.db2.gz AWBHAQOKZKULRX-UHFFFAOYSA-N 2 1 442.611 3.495 20 0 IGADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164730523 720569057 /nfs/dbraw/zinc/56/90/57/720569057.db2.gz XNOYMEWOQSIKIQ-UHFFFAOYSA-N 2 1 445.546 3.474 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]21 ZINC001164836001 720635458 /nfs/dbraw/zinc/63/54/58/720635458.db2.gz DUZWKHZKTITARS-HFMPRLQTSA-N 2 1 438.620 3.129 20 0 IGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836001 720635470 /nfs/dbraw/zinc/63/54/70/720635470.db2.gz DUZWKHZKTITARS-HFMPRLQTSA-N 3 1 438.620 3.129 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836001 720635487 /nfs/dbraw/zinc/63/54/87/720635487.db2.gz DUZWKHZKTITARS-HFMPRLQTSA-N 3 1 438.620 3.129 20 0 IGADMP C[N@@H+](Cc1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1)C1CC1 ZINC001164844778 720743919 /nfs/dbraw/zinc/74/39/19/720743919.db2.gz UBVJTLOFISSJJX-UHFFFAOYSA-N 2 1 429.572 3.033 20 0 IGADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754410 720868560 /nfs/dbraw/zinc/86/85/60/720868560.db2.gz RRPBCNTZEZCEJJ-BWKNWUBXSA-N 2 1 434.588 3.201 20 0 IGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754410 720868565 /nfs/dbraw/zinc/86/85/65/720868565.db2.gz RRPBCNTZEZCEJJ-BWKNWUBXSA-N 2 1 434.588 3.201 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164980561 722121980 /nfs/dbraw/zinc/12/19/80/722121980.db2.gz RVMYKNUHCLZGSO-HYBUGGRVSA-N 2 1 434.540 3.374 20 0 IGADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCO[C@@H]5C[NH2+]CC[C@@H]5C3)n2)CCC4)CC1 ZINC001164407775 718864435 /nfs/dbraw/zinc/86/44/35/718864435.db2.gz JTEYNBRWVUFAFF-IEBWSBKVSA-N 2 1 441.645 3.227 20 0 IGADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164432330 718970875 /nfs/dbraw/zinc/97/08/75/718970875.db2.gz GICDXCGQQHIUHO-UIFIKXQLSA-N 2 1 440.510 3.150 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164840964 720669744 /nfs/dbraw/zinc/66/97/44/720669744.db2.gz OJGMGNZGFSSPQX-GOSISDBHSA-N 2 1 427.980 3.036 20 0 IGADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164739264 720717219 /nfs/dbraw/zinc/71/72/19/720717219.db2.gz MRCNMCPBPANZAS-NHCUHLMSSA-N 2 1 426.524 3.217 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745844 720850512 /nfs/dbraw/zinc/85/05/12/720850512.db2.gz NRNAEIZNCDGWHK-BHIFYINESA-N 2 1 448.571 3.223 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745844 720850515 /nfs/dbraw/zinc/85/05/15/720850515.db2.gz NRNAEIZNCDGWHK-BHIFYINESA-N 2 1 448.571 3.223 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164784600 721374470 /nfs/dbraw/zinc/37/44/70/721374470.db2.gz QRWVDBGLQJSIAN-RUZDIDTESA-N 2 1 439.604 3.401 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164791322 721466967 /nfs/dbraw/zinc/46/69/67/721466967.db2.gz WZJAZQSMCPUHHA-DEOSSOPVSA-N 2 1 442.648 3.411 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164790626 721470114 /nfs/dbraw/zinc/47/01/14/721470114.db2.gz SOOKOHTUMYFADG-QFIPXVFZSA-N 2 1 425.577 3.001 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164787968 721473441 /nfs/dbraw/zinc/47/34/41/721473441.db2.gz HDKSMNXBOKGOQD-DEOSSOPVSA-N 2 1 442.648 3.411 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2cc1OC ZINC001164983277 722146080 /nfs/dbraw/zinc/14/60/80/722146080.db2.gz SXSGLYYWXCSRGD-CYFREDJKSA-N 2 1 434.540 3.374 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2cc1OC ZINC001164983277 722146083 /nfs/dbraw/zinc/14/60/83/722146083.db2.gz SXSGLYYWXCSRGD-CYFREDJKSA-N 2 1 434.540 3.374 20 0 IGADMP C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164391745 718824358 /nfs/dbraw/zinc/82/43/58/718824358.db2.gz WXAZVKZFJQANEM-MSOLQXFVSA-N 2 1 427.618 3.123 20 0 IGADMP C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164404226 718863893 /nfs/dbraw/zinc/86/38/93/718863893.db2.gz ANGDXDZXWLXKQZ-IEBWSBKVSA-N 2 1 441.645 3.371 20 0 IGADMP CC(C)N(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)c1ncnc2c1CC[NH2+]CC2 ZINC001164663617 719345107 /nfs/dbraw/zinc/34/51/07/719345107.db2.gz ZCTAWYOZOCWDPA-UHFFFAOYSA-N 2 1 429.572 3.060 20 0 IGADMP CC(C)N(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)c1ncnc2c1CC[NH2+]CC2 ZINC001164663617 719345110 /nfs/dbraw/zinc/34/51/10/719345110.db2.gz ZCTAWYOZOCWDPA-UHFFFAOYSA-N 2 1 429.572 3.060 20 0 IGADMP C[N@@H+](Cc1ccc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1)C1CC1 ZINC001164688801 719591975 /nfs/dbraw/zinc/59/19/75/719591975.db2.gz ZZBMLHKRMZTKCM-JOCHJYFZSA-N 2 1 440.613 3.403 20 0 IGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(N4CCC([NH3+])CC4)[nH+]2)CC3)cs1 ZINC001164692928 719812826 /nfs/dbraw/zinc/81/28/26/719812826.db2.gz SGIAYIVIGQHOTO-UHFFFAOYSA-N 3 1 426.634 3.409 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841061 720694284 /nfs/dbraw/zinc/69/42/84/720694284.db2.gz HIZKVBIAYVJQCC-NRFANRHFSA-N 2 1 435.572 3.338 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841061 720694291 /nfs/dbraw/zinc/69/42/91/720694291.db2.gz HIZKVBIAYVJQCC-NRFANRHFSA-N 2 1 435.572 3.338 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164842035 720698881 /nfs/dbraw/zinc/69/88/81/720698881.db2.gz LFRMUJFHFLUBLB-HSZRJFAPSA-N 2 1 435.616 3.093 20 0 IGADMP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164837437 720738203 /nfs/dbraw/zinc/73/82/03/720738203.db2.gz JOISDQQNLFIBHT-UHFFFAOYSA-N 2 1 443.599 3.284 20 0 IGADMP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164837437 720738209 /nfs/dbraw/zinc/73/82/09/720738209.db2.gz JOISDQQNLFIBHT-UHFFFAOYSA-N 2 1 443.599 3.284 20 0 IGADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164902637 721548444 /nfs/dbraw/zinc/54/84/44/721548444.db2.gz ASGCJSUVCMDIOG-RBBKRZOGSA-N 2 1 426.536 3.037 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164391149 718824345 /nfs/dbraw/zinc/82/43/45/718824345.db2.gz SWSYXEQBIKXTKG-BHIYHBOVSA-N 2 1 441.645 3.369 20 0 IGADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164618173 719009428 /nfs/dbraw/zinc/00/94/28/719009428.db2.gz QLHAXXOQIGLYNB-YADARESESA-N 2 1 447.023 3.480 20 0 IGADMP CCOC(=O)c1cnc2ccc(Cl)nc2c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682609 719619384 /nfs/dbraw/zinc/61/93/84/719619384.db2.gz OKCQVHYUZSQDDK-UHFFFAOYSA-N 2 1 442.951 3.132 20 0 IGADMP CCOC(=O)c1cnc2ccc(Cl)nc2c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682609 719619392 /nfs/dbraw/zinc/61/93/92/719619392.db2.gz OKCQVHYUZSQDDK-UHFFFAOYSA-N 2 1 442.951 3.132 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2ccn3Cc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164683453 719625466 /nfs/dbraw/zinc/62/54/66/719625466.db2.gz SNDNAMDYLSFEMK-UHFFFAOYSA-N 2 1 433.535 3.290 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2ccn3Cc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164683453 719625484 /nfs/dbraw/zinc/62/54/84/719625484.db2.gz SNDNAMDYLSFEMK-UHFFFAOYSA-N 2 1 433.535 3.290 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)c2c1CC[NH2+]C2 ZINC001164680520 719643081 /nfs/dbraw/zinc/64/30/81/719643081.db2.gz TZDKVOAAJRAECD-UHFFFAOYSA-N 2 1 447.921 3.472 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)c2c1CC[NH2+]C2 ZINC001164680520 719643091 /nfs/dbraw/zinc/64/30/91/719643091.db2.gz TZDKVOAAJRAECD-UHFFFAOYSA-N 2 1 447.921 3.472 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2 ZINC001164786910 721452194 /nfs/dbraw/zinc/45/21/94/721452194.db2.gz OQGHFRPSBKGVED-QFIPXVFZSA-N 2 1 443.636 3.119 20 0 IGADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164786910 721452195 /nfs/dbraw/zinc/45/21/95/721452195.db2.gz OQGHFRPSBKGVED-QFIPXVFZSA-N 2 1 443.636 3.119 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164786910 721452197 /nfs/dbraw/zinc/45/21/97/721452197.db2.gz OQGHFRPSBKGVED-QFIPXVFZSA-N 2 1 443.636 3.119 20 0 IGADMP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CCC2 ZINC001165002909 722254093 /nfs/dbraw/zinc/25/40/93/722254093.db2.gz XERNCJFOUGYUFG-UHFFFAOYSA-N 2 1 445.571 3.165 20 0 IGADMP CCOC(=O)c1ccc2nc(Cl)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164680545 719635574 /nfs/dbraw/zinc/63/55/74/719635574.db2.gz VINXLFMKYIZWRH-UHFFFAOYSA-N 2 1 442.951 3.132 20 0 IGADMP CCOC(=O)c1ccc2nc(Cl)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164680545 719635583 /nfs/dbraw/zinc/63/55/83/719635583.db2.gz VINXLFMKYIZWRH-UHFFFAOYSA-N 2 1 442.951 3.132 20 0 IGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164711737 720136702 /nfs/dbraw/zinc/13/67/02/720136702.db2.gz JBWXISOBMJFTNW-LJQANCHMSA-N 2 1 442.007 3.283 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164842829 720706845 /nfs/dbraw/zinc/70/68/45/720706845.db2.gz ZBZJLQOXSDXJLT-HSZRJFAPSA-N 3 1 435.616 3.269 20 0 IGADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164842829 720706854 /nfs/dbraw/zinc/70/68/54/720706854.db2.gz ZBZJLQOXSDXJLT-HSZRJFAPSA-N 2 1 435.616 3.269 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164842829 720706868 /nfs/dbraw/zinc/70/68/68/720706868.db2.gz ZBZJLQOXSDXJLT-HSZRJFAPSA-N 2 1 435.616 3.269 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745848 720850237 /nfs/dbraw/zinc/85/02/37/720850237.db2.gz NRNAEIZNCDGWHK-YPAWHYETSA-N 2 1 448.571 3.223 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745848 720850239 /nfs/dbraw/zinc/85/02/39/720850239.db2.gz NRNAEIZNCDGWHK-YPAWHYETSA-N 2 1 448.571 3.223 20 0 IGADMP c1cn(-c2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cn1 ZINC001164750514 720926054 /nfs/dbraw/zinc/92/60/54/720926054.db2.gz JSXHNHBSJUBZPE-ZEQKJWHPSA-N 2 1 444.583 3.417 20 0 IGADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164900356 721524788 /nfs/dbraw/zinc/52/47/88/721524788.db2.gz QYDWTBMVOUJLTK-HKUYNNGSSA-N 2 1 431.943 3.078 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164391156 718824576 /nfs/dbraw/zinc/82/45/76/718824576.db2.gz SWSYXEQBIKXTKG-QRQLOZEOSA-N 2 1 441.645 3.369 20 0 IGADMP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401612 718852950 /nfs/dbraw/zinc/85/29/50/718852950.db2.gz CKFXROWHVBLZHJ-CLOONOSVSA-N 2 1 449.624 3.362 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ncc2OCc2ccccc2)c2c1CC[NH2+]C2 ZINC001164684846 719623585 /nfs/dbraw/zinc/62/35/85/719623585.db2.gz YACFGGOYPIEIMC-UHFFFAOYSA-N 2 1 426.952 3.381 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ncc2OCc2ccccc2)c2c1CC[NH2+]C2 ZINC001164684846 719623588 /nfs/dbraw/zinc/62/35/88/719623588.db2.gz YACFGGOYPIEIMC-UHFFFAOYSA-N 2 1 426.952 3.381 20 0 IGADMP COc1cc2cc[nH+]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2cc1OC ZINC001164812119 720225055 /nfs/dbraw/zinc/22/50/55/720225055.db2.gz DROUZNAZESTGFY-UHFFFAOYSA-N 2 1 437.544 3.059 20 0 IGADMP COc1cc2cc[nH+]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2cc1OC ZINC001164812119 720225060 /nfs/dbraw/zinc/22/50/60/720225060.db2.gz DROUZNAZESTGFY-UHFFFAOYSA-N 2 1 437.544 3.059 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836002 720635762 /nfs/dbraw/zinc/63/57/62/720635762.db2.gz DUZWKHZKTITARS-ZFGGDYGUSA-N 2 1 438.620 3.129 20 0 IGADMP CC(C)[N@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836002 720635787 /nfs/dbraw/zinc/63/57/87/720635787.db2.gz DUZWKHZKTITARS-ZFGGDYGUSA-N 3 1 438.620 3.129 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836002 720635815 /nfs/dbraw/zinc/63/58/15/720635815.db2.gz DUZWKHZKTITARS-ZFGGDYGUSA-N 3 1 438.620 3.129 20 0 IGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164848015 720806462 /nfs/dbraw/zinc/80/64/62/720806462.db2.gz BMSGRJARCMMUFF-WIYYLYMNSA-N 2 1 436.604 3.475 20 0 IGADMP Cc1noc(C)c1C[NH+]1CCOC[C@@]2(CCCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)C1 ZINC001164780762 721368465 /nfs/dbraw/zinc/36/84/65/721368465.db2.gz HELOBKDNAWLPMP-VWLOTQADSA-N 2 1 439.604 3.400 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164780762 721368467 /nfs/dbraw/zinc/36/84/67/721368467.db2.gz HELOBKDNAWLPMP-VWLOTQADSA-N 2 1 439.604 3.400 20 0 IGADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164780762 721368470 /nfs/dbraw/zinc/36/84/70/721368470.db2.gz HELOBKDNAWLPMP-VWLOTQADSA-N 2 1 439.604 3.400 20 0 IGADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1 ZINC001164907244 721563472 /nfs/dbraw/zinc/56/34/72/721563472.db2.gz NAQTXXZHAJKHKS-CVDCTZTESA-N 2 1 426.536 3.036 20 0 IGADMP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165011935 721734589 /nfs/dbraw/zinc/73/45/89/721734589.db2.gz YEABFMHLEJSIQZ-UHFFFAOYSA-N 2 1 447.627 3.163 20 0 IGADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164432328 718971208 /nfs/dbraw/zinc/97/12/08/718971208.db2.gz GICDXCGQQHIUHO-DUXKGJEZSA-N 2 1 440.510 3.150 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164679935 719650971 /nfs/dbraw/zinc/65/09/71/719650971.db2.gz ANOCPZPHHWHBLH-UHFFFAOYSA-N 2 1 442.898 3.215 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164679935 719650979 /nfs/dbraw/zinc/65/09/79/719650979.db2.gz ANOCPZPHHWHBLH-UHFFFAOYSA-N 2 1 442.898 3.215 20 0 IGADMP CCc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC001164686247 719673100 /nfs/dbraw/zinc/67/31/00/719673100.db2.gz WUNKGHUTVZKRIA-HXUWFJFHSA-N 2 1 435.616 3.441 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164832810 720524970 /nfs/dbraw/zinc/52/49/70/720524970.db2.gz BLALPCQGKDCGKM-ZJOUEHCJSA-N 2 1 444.027 3.171 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164408499 718864444 /nfs/dbraw/zinc/86/44/44/718864444.db2.gz MEXSEYDGMRFAPC-ZIFCJYIRSA-N 2 1 441.645 3.227 20 0 IGADMP CCOC(=O)c1cnc(Cl)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1Cl ZINC001164684234 719611876 /nfs/dbraw/zinc/61/18/76/719611876.db2.gz NOJNYBLCSJCFDN-UHFFFAOYSA-N 2 1 426.348 3.237 20 0 IGADMP CCOC(=O)c1cnc(Cl)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1Cl ZINC001164684234 719611883 /nfs/dbraw/zinc/61/18/83/719611883.db2.gz NOJNYBLCSJCFDN-UHFFFAOYSA-N 2 1 426.348 3.237 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc(Oc3cccc(F)c3)n2)c2c1CC[NH2+]C2 ZINC001164681091 719629110 /nfs/dbraw/zinc/62/91/10/719629110.db2.gz ADTINNBSJIMSJW-UHFFFAOYSA-N 2 1 431.903 3.128 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc(Oc3cccc(F)c3)n2)c2c1CC[NH2+]C2 ZINC001164681091 719629118 /nfs/dbraw/zinc/62/91/18/719629118.db2.gz ADTINNBSJIMSJW-UHFFFAOYSA-N 2 1 431.903 3.128 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)c2c1CC[NH2+]C2 ZINC001164680555 719636093 /nfs/dbraw/zinc/63/60/93/719636093.db2.gz VWRVLKIWCGEFBX-UHFFFAOYSA-N 2 1 447.921 3.472 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)c2c1CC[NH2+]C2 ZINC001164680555 719636106 /nfs/dbraw/zinc/63/61/06/719636106.db2.gz VWRVLKIWCGEFBX-UHFFFAOYSA-N 2 1 447.921 3.472 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835999 720636913 /nfs/dbraw/zinc/63/69/13/720636913.db2.gz DUZWKHZKTITARS-AWRGLXIESA-N 2 1 438.620 3.129 20 0 IGADMP CC(C)[N@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835999 720636927 /nfs/dbraw/zinc/63/69/27/720636927.db2.gz DUZWKHZKTITARS-AWRGLXIESA-N 3 1 438.620 3.129 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835999 720636940 /nfs/dbraw/zinc/63/69/40/720636940.db2.gz DUZWKHZKTITARS-AWRGLXIESA-N 3 1 438.620 3.129 20 0 IGADMP COc1cccc(OC)c1CN1CCC(N(C)c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001165022734 721843088 /nfs/dbraw/zinc/84/30/88/721843088.db2.gz SYUIQVSCNOFGSB-UHFFFAOYSA-N 2 1 439.604 3.127 20 0 IGADMP Cc1ccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960616 722025557 /nfs/dbraw/zinc/02/55/57/722025557.db2.gz LLFOWZBOIHCTKL-XXBNENTESA-N 2 1 442.995 3.478 20 0 IGADMP COc1ccc(Cc2c(C)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2C)cc1 ZINC001164679627 719649640 /nfs/dbraw/zinc/64/96/40/719649640.db2.gz IZUUOMNLFUTFEB-UHFFFAOYSA-N 2 1 434.588 3.364 20 0 IGADMP COc1ccc(Cc2c(C)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2C)cc1 ZINC001164679627 719649646 /nfs/dbraw/zinc/64/96/46/719649646.db2.gz IZUUOMNLFUTFEB-UHFFFAOYSA-N 2 1 434.588 3.364 20 0 IGADMP CCc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(C)[nH+]1 ZINC001164683551 719677828 /nfs/dbraw/zinc/67/78/28/719677828.db2.gz SFEPBBYNXGELOO-FQEVSTJZSA-N 2 1 435.616 3.441 20 0 IGADMP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N(C)C)[nH+]1 ZINC001164755900 720874190 /nfs/dbraw/zinc/87/41/90/720874190.db2.gz ZSPCCOGSXQLGMT-RDGATRHJSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164755900 720874192 /nfs/dbraw/zinc/87/41/92/720874192.db2.gz ZSPCCOGSXQLGMT-RDGATRHJSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164755900 720874196 /nfs/dbraw/zinc/87/41/96/720874196.db2.gz ZSPCCOGSXQLGMT-RDGATRHJSA-N 2 1 436.604 3.001 20 0 IGADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164902633 721548318 /nfs/dbraw/zinc/54/83/18/721548318.db2.gz ASGCJSUVCMDIOG-IFMALSPDSA-N 2 1 426.536 3.037 20 0 IGADMP FC1(F)CCN(c2nccc(C3CC[NH2+]CC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908927 721716065 /nfs/dbraw/zinc/71/60/65/721716065.db2.gz ZNRQRQOZDOUTCE-JOCHJYFZSA-N 2 1 428.531 3.076 20 0 IGADMP FC1(F)CCN(c2nccc(C3CC[NH2+]CC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908929 721716399 /nfs/dbraw/zinc/71/63/99/721716399.db2.gz ZNRQRQOZDOUTCE-QFIPXVFZSA-N 2 1 428.531 3.076 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)N3CCCCC3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683907 719610640 /nfs/dbraw/zinc/61/06/40/719610640.db2.gz LERFHAAJCZAXHY-UHFFFAOYSA-N 2 1 430.984 3.033 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)N3CCCCC3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683907 719610648 /nfs/dbraw/zinc/61/06/48/719610648.db2.gz LERFHAAJCZAXHY-UHFFFAOYSA-N 2 1 430.984 3.033 20 0 IGADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(NC4CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164681374 719655107 /nfs/dbraw/zinc/65/51/07/719655107.db2.gz MVOMGUOOIMKSMO-LJQANCHMSA-N 2 1 448.615 3.144 20 0 IGADMP Cc1cc2c(nc[nH+]c2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164685241 719663508 /nfs/dbraw/zinc/66/35/08/719663508.db2.gz YPQBFAPGDMISIX-LJQANCHMSA-N 2 1 446.599 3.360 20 0 IGADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164711740 720139212 /nfs/dbraw/zinc/13/92/12/720139212.db2.gz JDKDWXVVNWAKHO-JOCHJYFZSA-N 2 1 436.604 3.369 20 0 IGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164711740 720139221 /nfs/dbraw/zinc/13/92/21/720139221.db2.gz JDKDWXVVNWAKHO-JOCHJYFZSA-N 2 1 436.604 3.369 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]21 ZINC001164836000 720636238 /nfs/dbraw/zinc/63/62/38/720636238.db2.gz DUZWKHZKTITARS-DPLHUUCSSA-N 2 1 438.620 3.129 20 0 IGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836000 720636249 /nfs/dbraw/zinc/63/62/49/720636249.db2.gz DUZWKHZKTITARS-DPLHUUCSSA-N 3 1 438.620 3.129 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836000 720636260 /nfs/dbraw/zinc/63/62/60/720636260.db2.gz DUZWKHZKTITARS-DPLHUUCSSA-N 3 1 438.620 3.129 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745842 720850225 /nfs/dbraw/zinc/85/02/25/720850225.db2.gz NRNAEIZNCDGWHK-BHDDXSALSA-N 2 1 448.571 3.223 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745842 720850226 /nfs/dbraw/zinc/85/02/26/720850226.db2.gz NRNAEIZNCDGWHK-BHDDXSALSA-N 2 1 448.571 3.223 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754849 720877172 /nfs/dbraw/zinc/87/71/72/720877172.db2.gz TXUDFVWJEAHZJK-PXDATVDWSA-N 2 1 432.572 3.118 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754849 720877174 /nfs/dbraw/zinc/87/71/74/720877174.db2.gz TXUDFVWJEAHZJK-PXDATVDWSA-N 2 1 432.572 3.118 20 0 IGADMP c1cn(-c2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cn1 ZINC001164750507 720926100 /nfs/dbraw/zinc/92/61/00/720926100.db2.gz JSXHNHBSJUBZPE-OZXSUGGESA-N 2 1 444.583 3.417 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1 ZINC001165014437 721766555 /nfs/dbraw/zinc/76/65/55/721766555.db2.gz GDEXEPGUXGUBRF-OAQYLSRUSA-N 2 1 432.576 3.447 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165024608 721805908 /nfs/dbraw/zinc/80/59/08/721805908.db2.gz MJOUEQHRNBVCJP-PWIZWCRZSA-N 2 1 434.544 3.267 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165024608 721805909 /nfs/dbraw/zinc/80/59/09/721805909.db2.gz MJOUEQHRNBVCJP-PWIZWCRZSA-N 2 1 434.544 3.267 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983727 722125166 /nfs/dbraw/zinc/12/51/66/722125166.db2.gz ZIJYEQICOVAYQT-IFMALSPDSA-N 2 1 442.007 3.453 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983727 722125167 /nfs/dbraw/zinc/12/51/67/722125167.db2.gz ZIJYEQICOVAYQT-IFMALSPDSA-N 2 1 442.007 3.453 20 0 IGADMP CCc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164996344 722204272 /nfs/dbraw/zinc/20/42/72/722204272.db2.gz UEIGOFBKUMQHBG-DEOSSOPVSA-N 2 1 425.552 3.260 20 0 IGADMP CCc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164996344 722204274 /nfs/dbraw/zinc/20/42/74/722204274.db2.gz UEIGOFBKUMQHBG-DEOSSOPVSA-N 2 1 425.552 3.260 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2ccn3Cc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164684690 719624735 /nfs/dbraw/zinc/62/47/35/719624735.db2.gz WJFVHXOYJQOJLK-UHFFFAOYSA-N 2 1 433.535 3.290 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2ccn3Cc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164684690 719624744 /nfs/dbraw/zinc/62/47/44/719624744.db2.gz WJFVHXOYJQOJLK-UHFFFAOYSA-N 2 1 433.535 3.290 20 0 IGADMP CCc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC001164686242 719673565 /nfs/dbraw/zinc/67/35/65/719673565.db2.gz WUNKGHUTVZKRIA-FQEVSTJZSA-N 2 1 435.616 3.441 20 0 IGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164848013 720806288 /nfs/dbraw/zinc/80/62/88/720806288.db2.gz BMSGRJARCMMUFF-RXVVDRJESA-N 2 1 436.604 3.475 20 0 IGADMP c1cn(-c2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cn1 ZINC001164750500 720926120 /nfs/dbraw/zinc/92/61/20/720926120.db2.gz JSXHNHBSJUBZPE-JYFHCDHNSA-N 2 1 444.583 3.417 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)n1 ZINC001164763820 721041111 /nfs/dbraw/zinc/04/11/11/721041111.db2.gz LPINTYGSMSHQTE-UHFFFAOYSA-N 2 1 437.979 3.406 20 0 IGADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769926 721105260 /nfs/dbraw/zinc/10/52/60/721105260.db2.gz QHBLZCMZGCLGTG-UKILVPOCSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769926 721105263 /nfs/dbraw/zinc/10/52/63/721105263.db2.gz QHBLZCMZGCLGTG-UKILVPOCSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769926 721105270 /nfs/dbraw/zinc/10/52/70/721105270.db2.gz QHBLZCMZGCLGTG-UKILVPOCSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769925 721105959 /nfs/dbraw/zinc/10/59/59/721105959.db2.gz QHBLZCMZGCLGTG-NOZRDPDXSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769925 721105967 /nfs/dbraw/zinc/10/59/67/721105967.db2.gz QHBLZCMZGCLGTG-NOZRDPDXSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769925 721105972 /nfs/dbraw/zinc/10/59/72/721105972.db2.gz QHBLZCMZGCLGTG-NOZRDPDXSA-N 2 1 442.611 3.332 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164789317 721464731 /nfs/dbraw/zinc/46/47/31/721464731.db2.gz WWPTYPBSRPMGAD-IBGZPJMESA-N 2 1 449.039 3.115 20 0 IGADMP FC1(F)CCN(c2cccc(N3CCOCC3)[nH+]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905581 721717196 /nfs/dbraw/zinc/71/71/96/721717196.db2.gz HUFBWCFAOKQMNV-QFIPXVFZSA-N 2 1 429.515 3.051 20 0 IGADMP CCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001165025346 721818151 /nfs/dbraw/zinc/81/81/51/721818151.db2.gz MRYDJIVJBJAURT-PMOQBDJRSA-N 2 1 436.604 3.008 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983728 722124976 /nfs/dbraw/zinc/12/49/76/722124976.db2.gz ZIJYEQICOVAYQT-IRLDBZIGSA-N 2 1 442.007 3.453 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983728 722124983 /nfs/dbraw/zinc/12/49/83/722124983.db2.gz ZIJYEQICOVAYQT-IRLDBZIGSA-N 2 1 442.007 3.453 20 0 IGADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164617899 719009242 /nfs/dbraw/zinc/00/92/42/719009242.db2.gz QLHAXXOQIGLYNB-CYFREDJKSA-N 2 1 447.023 3.480 20 0 IGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614735 719017655 /nfs/dbraw/zinc/01/76/55/719017655.db2.gz GHNJHTRYPJAGAQ-FGTMMUONSA-N 2 1 443.617 3.024 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864578 721100908 /nfs/dbraw/zinc/10/09/08/721100908.db2.gz GMYPNAKCMGYSFW-NHCUHLMSSA-N 2 1 427.980 3.206 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864578 721100913 /nfs/dbraw/zinc/10/09/13/721100913.db2.gz GMYPNAKCMGYSFW-NHCUHLMSSA-N 2 1 427.980 3.206 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164790625 721470188 /nfs/dbraw/zinc/47/01/88/721470188.db2.gz SOOKOHTUMYFADG-JOCHJYFZSA-N 2 1 425.577 3.001 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164793373 721491862 /nfs/dbraw/zinc/49/18/62/721491862.db2.gz QXLMSHAIDQCKHX-UHFFFAOYSA-N 2 1 434.544 3.411 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164793373 721491865 /nfs/dbraw/zinc/49/18/65/721491865.db2.gz QXLMSHAIDQCKHX-UHFFFAOYSA-N 2 1 434.544 3.411 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906011 721708850 /nfs/dbraw/zinc/70/88/50/721708850.db2.gz JFRUKHUOZCCXTL-QFIPXVFZSA-N 2 1 442.514 3.210 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906011 721708851 /nfs/dbraw/zinc/70/88/51/721708851.db2.gz JFRUKHUOZCCXTL-QFIPXVFZSA-N 2 1 442.514 3.210 20 0 IGADMP CCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001165025348 721818084 /nfs/dbraw/zinc/81/80/84/721818084.db2.gz MRYDJIVJBJAURT-VJBMBRPKSA-N 2 1 436.604 3.008 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)c2c1CC[NH2+]C2 ZINC001164679497 719637231 /nfs/dbraw/zinc/63/72/31/719637231.db2.gz CXLNMILGFZUIAV-UHFFFAOYSA-N 2 1 447.921 3.472 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)c2c1CC[NH2+]C2 ZINC001164679497 719637241 /nfs/dbraw/zinc/63/72/41/719637241.db2.gz CXLNMILGFZUIAV-UHFFFAOYSA-N 2 1 447.921 3.472 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)c2c1CC[NH2+]C2 ZINC001164679632 719646641 /nfs/dbraw/zinc/64/66/41/719646641.db2.gz JDVLHQXEIWYZGR-UHFFFAOYSA-N 2 1 437.882 3.065 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)c2c1CC[NH2+]C2 ZINC001164679632 719646652 /nfs/dbraw/zinc/64/66/52/719646652.db2.gz JDVLHQXEIWYZGR-UHFFFAOYSA-N 2 1 437.882 3.065 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683348 719660549 /nfs/dbraw/zinc/66/05/49/719660549.db2.gz VCMXDDBHEQQRGM-IBGZPJMESA-N 2 1 446.599 3.062 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164842831 720706338 /nfs/dbraw/zinc/70/63/38/720706338.db2.gz ZBZJLQOXSDXJLT-QHCPKHFHSA-N 3 1 435.616 3.269 20 0 IGADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164842831 720706349 /nfs/dbraw/zinc/70/63/49/720706349.db2.gz ZBZJLQOXSDXJLT-QHCPKHFHSA-N 2 1 435.616 3.269 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164842831 720706357 /nfs/dbraw/zinc/70/63/57/720706357.db2.gz ZBZJLQOXSDXJLT-QHCPKHFHSA-N 2 1 435.616 3.269 20 0 IGADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164739262 720715136 /nfs/dbraw/zinc/71/51/36/720715136.db2.gz MRCNMCPBPANZAS-LEWJYISDSA-N 2 1 426.524 3.217 20 0 IGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164848011 720806311 /nfs/dbraw/zinc/80/63/11/720806311.db2.gz BMSGRJARCMMUFF-NQIIRXRSSA-N 2 1 436.604 3.475 20 0 IGADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164790666 721467005 /nfs/dbraw/zinc/46/70/05/721467005.db2.gz UHVMNYKUFSYLHV-JOCHJYFZSA-N 2 1 443.636 3.201 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164790666 721467007 /nfs/dbraw/zinc/46/70/07/721467007.db2.gz UHVMNYKUFSYLHV-JOCHJYFZSA-N 2 1 443.636 3.201 20 0 IGADMP CCc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164996345 722204639 /nfs/dbraw/zinc/20/46/39/722204639.db2.gz UEIGOFBKUMQHBG-XMMPIXPASA-N 2 1 425.552 3.260 20 0 IGADMP CCc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164996345 722204642 /nfs/dbraw/zinc/20/46/42/722204642.db2.gz UEIGOFBKUMQHBG-XMMPIXPASA-N 2 1 425.552 3.260 20 0 IGADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1-c1ccccc1 ZINC001164403454 718839407 /nfs/dbraw/zinc/83/94/07/718839407.db2.gz JJGWWTBYFDHTOJ-FQEVSTJZSA-N 2 1 448.640 3.438 20 0 IGADMP OC[C@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401615 718852968 /nfs/dbraw/zinc/85/29/68/718852968.db2.gz CKFXROWHVBLZHJ-UQBPGWFLSA-N 2 1 449.624 3.362 20 0 IGADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164617903 719009390 /nfs/dbraw/zinc/00/93/90/719009390.db2.gz QLHAXXOQIGLYNB-DVECYGJZSA-N 2 1 447.023 3.480 20 0 IGADMP COCc1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1C[NH2+]C2 ZINC001164713812 720078642 /nfs/dbraw/zinc/07/86/42/720078642.db2.gz UPGINHJTBMEJLF-CQSZACIVSA-N 2 1 438.601 3.347 20 0 IGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2 ZINC001164710323 720098135 /nfs/dbraw/zinc/09/81/35/720098135.db2.gz IQMUEZJYMIIOCZ-QFIPXVFZSA-N 2 1 436.604 3.288 20 0 IGADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164710323 720098143 /nfs/dbraw/zinc/09/81/43/720098143.db2.gz IQMUEZJYMIIOCZ-QFIPXVFZSA-N 2 1 436.604 3.288 20 0 IGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164710323 720098151 /nfs/dbraw/zinc/09/81/51/720098151.db2.gz IQMUEZJYMIIOCZ-QFIPXVFZSA-N 2 1 436.604 3.288 20 0 IGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814396 720105571 /nfs/dbraw/zinc/10/55/71/720105571.db2.gz SFPNURSMNKHEPW-HOFKKMOUSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814396 720105575 /nfs/dbraw/zinc/10/55/75/720105575.db2.gz SFPNURSMNKHEPW-HOFKKMOUSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164814396 720105579 /nfs/dbraw/zinc/10/55/79/720105579.db2.gz SFPNURSMNKHEPW-HOFKKMOUSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164814396 720105589 /nfs/dbraw/zinc/10/55/89/720105589.db2.gz SFPNURSMNKHEPW-HOFKKMOUSA-N 2 1 447.627 3.220 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164745573 720832312 /nfs/dbraw/zinc/83/23/12/720832312.db2.gz WVNJZCOGBKSZTQ-TUNNFDKTSA-N 2 1 448.571 3.223 20 0 IGADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754413 720868349 /nfs/dbraw/zinc/86/83/49/720868349.db2.gz RRPBCNTZEZCEJJ-OFVILXPXSA-N 2 1 434.588 3.201 20 0 IGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754413 720868351 /nfs/dbraw/zinc/86/83/51/720868351.db2.gz RRPBCNTZEZCEJJ-OFVILXPXSA-N 2 1 434.588 3.201 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164892381 721446410 /nfs/dbraw/zinc/44/64/10/721446410.db2.gz IKQGDOOJCGWGIE-BFLUCZKCSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892381 721446413 /nfs/dbraw/zinc/44/64/13/721446413.db2.gz IKQGDOOJCGWGIE-BFLUCZKCSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892381 721446418 /nfs/dbraw/zinc/44/64/18/721446418.db2.gz IKQGDOOJCGWGIE-BFLUCZKCSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164892384 721446680 /nfs/dbraw/zinc/44/66/80/721446680.db2.gz IKQGDOOJCGWGIE-GSLIJJQTSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892384 721446685 /nfs/dbraw/zinc/44/66/85/721446685.db2.gz IKQGDOOJCGWGIE-GSLIJJQTSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892384 721446687 /nfs/dbraw/zinc/44/66/87/721446687.db2.gz IKQGDOOJCGWGIE-GSLIJJQTSA-N 2 1 441.664 3.394 20 0 IGADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952921 722015011 /nfs/dbraw/zinc/01/50/11/722015011.db2.gz OYRBFYZIZOVXRB-UHFFFAOYSA-N 2 1 426.996 3.485 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165004487 722257739 /nfs/dbraw/zinc/25/77/39/722257739.db2.gz SMBGHYYNDASCFG-JOCHJYFZSA-N 2 1 426.609 3.314 20 0 IGADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614732 719017761 /nfs/dbraw/zinc/01/77/61/719017761.db2.gz GHNJHTRYPJAGAQ-BZSNNMDCSA-N 2 1 443.617 3.024 20 0 IGADMP C[N@@H+](Cc1ccc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1)C1CC1 ZINC001164688802 719592237 /nfs/dbraw/zinc/59/22/37/719592237.db2.gz ZZBMLHKRMZTKCM-QFIPXVFZSA-N 2 1 440.613 3.403 20 0 IGADMP Cc1c[nH]c2nc[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164685212 719655651 /nfs/dbraw/zinc/65/56/51/719655651.db2.gz YOBBLWNMUXRUMA-IBGZPJMESA-N 2 1 446.599 3.360 20 0 IGADMP c1csc(C[N@H+]2CCOC3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2)c1 ZINC001164705935 719907006 /nfs/dbraw/zinc/90/70/06/719907006.db2.gz GADUMLAAIOGGCL-UHFFFAOYSA-N 2 1 442.629 3.393 20 0 IGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814400 720105732 /nfs/dbraw/zinc/10/57/32/720105732.db2.gz SFPNURSMNKHEPW-WNCULLNHSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814400 720105743 /nfs/dbraw/zinc/10/57/43/720105743.db2.gz SFPNURSMNKHEPW-WNCULLNHSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164814400 720105750 /nfs/dbraw/zinc/10/57/50/720105750.db2.gz SFPNURSMNKHEPW-WNCULLNHSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164814400 720105758 /nfs/dbraw/zinc/10/57/58/720105758.db2.gz SFPNURSMNKHEPW-WNCULLNHSA-N 2 1 447.627 3.220 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164745570 720831453 /nfs/dbraw/zinc/83/14/53/720831453.db2.gz WVNJZCOGBKSZTQ-JAXLGGSGSA-N 2 1 448.571 3.223 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1 ZINC001164780067 721359069 /nfs/dbraw/zinc/35/90/69/721359069.db2.gz CUMJQIVQNGKQKY-XMMPIXPASA-N 2 1 425.577 3.406 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164980565 722122416 /nfs/dbraw/zinc/12/24/16/722122416.db2.gz RVMYKNUHCLZGSO-YKSBVNFPSA-N 2 1 434.540 3.374 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2cc1OC ZINC001164983279 722145756 /nfs/dbraw/zinc/14/57/56/722145756.db2.gz SXSGLYYWXCSRGD-DVECYGJZSA-N 2 1 434.540 3.374 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2cc1OC ZINC001164983279 722145758 /nfs/dbraw/zinc/14/57/58/722145758.db2.gz SXSGLYYWXCSRGD-DVECYGJZSA-N 2 1 434.540 3.374 20 0 IGADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164432331 718971158 /nfs/dbraw/zinc/97/11/58/718971158.db2.gz GICDXCGQQHIUHO-WMQCIHAUSA-N 2 1 440.510 3.150 20 0 IGADMP CCOC(=O)c1sc2nc(C)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164680527 719638117 /nfs/dbraw/zinc/63/81/17/719638117.db2.gz UNLCLXUWDQRJGS-UHFFFAOYSA-N 2 1 442.589 3.156 20 0 IGADMP CCOC(=O)c1sc2nc(C)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164680527 719638127 /nfs/dbraw/zinc/63/81/27/719638127.db2.gz UNLCLXUWDQRJGS-UHFFFAOYSA-N 2 1 442.589 3.156 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001164823888 720322426 /nfs/dbraw/zinc/32/24/26/720322426.db2.gz BODVLZAUKPYLFK-FGZHOGPDSA-N 2 1 436.604 3.458 20 0 IGADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]cc21 ZINC001164840833 720593377 /nfs/dbraw/zinc/59/33/77/720593377.db2.gz QYECULDINBRLIV-NPPFBWRTSA-N 2 1 436.560 3.314 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]21 ZINC001164843216 720644555 /nfs/dbraw/zinc/64/45/55/720644555.db2.gz VLOWJIGCGKJVTC-FIXSFTCYSA-N 2 1 438.620 3.034 20 0 IGADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164844932 720698416 /nfs/dbraw/zinc/69/84/16/720698416.db2.gz WPPKVXKXKWRKFK-GOSISDBHSA-N 2 1 435.528 3.004 20 0 IGADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164844932 720698423 /nfs/dbraw/zinc/69/84/23/720698423.db2.gz WPPKVXKXKWRKFK-GOSISDBHSA-N 2 1 435.528 3.004 20 0 IGADMP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N(C)C)[nH+]1 ZINC001164755904 720874554 /nfs/dbraw/zinc/87/45/54/720874554.db2.gz ZSPCCOGSXQLGMT-WIOPSUGQSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164755904 720874559 /nfs/dbraw/zinc/87/45/59/720874559.db2.gz ZSPCCOGSXQLGMT-WIOPSUGQSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164755904 720874561 /nfs/dbraw/zinc/87/45/61/720874561.db2.gz ZSPCCOGSXQLGMT-WIOPSUGQSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164784918 721365426 /nfs/dbraw/zinc/36/54/26/721365426.db2.gz RNUJGCGWLDJVFN-RUZDIDTESA-N 2 1 439.604 3.401 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164784601 721374878 /nfs/dbraw/zinc/37/48/78/721374878.db2.gz QRWVDBGLQJSIAN-VWLOTQADSA-N 2 1 439.604 3.401 20 0 IGADMP [NH3+]C1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1 ZINC001164906955 721718417 /nfs/dbraw/zinc/71/84/17/721718417.db2.gz PCJCIIYWLAMDPX-HSZRJFAPSA-N 3 1 442.558 3.142 20 0 IGADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164911139 721763464 /nfs/dbraw/zinc/76/34/64/721763464.db2.gz MVFCLQJWDVMYEX-UHFFFAOYSA-N 2 1 448.571 3.038 20 0 IGADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164911139 721763466 /nfs/dbraw/zinc/76/34/66/721763466.db2.gz MVFCLQJWDVMYEX-UHFFFAOYSA-N 2 1 448.571 3.038 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165024604 721805714 /nfs/dbraw/zinc/80/57/14/721805714.db2.gz MJOUEQHRNBVCJP-FFZOFVMBSA-N 2 1 434.544 3.267 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165024604 721805716 /nfs/dbraw/zinc/80/57/16/721805716.db2.gz MJOUEQHRNBVCJP-FFZOFVMBSA-N 2 1 434.544 3.267 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164832803 720524938 /nfs/dbraw/zinc/52/49/38/720524938.db2.gz BLALPCQGKDCGKM-DYXWJJEUSA-N 2 1 444.027 3.171 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2 ZINC001164786903 721452242 /nfs/dbraw/zinc/45/22/42/721452242.db2.gz OQGHFRPSBKGVED-JOCHJYFZSA-N 2 1 443.636 3.119 20 0 IGADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164786903 721452244 /nfs/dbraw/zinc/45/22/44/721452244.db2.gz OQGHFRPSBKGVED-JOCHJYFZSA-N 2 1 443.636 3.119 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164786903 721452246 /nfs/dbraw/zinc/45/22/46/721452246.db2.gz OQGHFRPSBKGVED-JOCHJYFZSA-N 2 1 443.636 3.119 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906008 721708894 /nfs/dbraw/zinc/70/88/94/721708894.db2.gz JFRUKHUOZCCXTL-JOCHJYFZSA-N 2 1 442.514 3.210 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906008 721708899 /nfs/dbraw/zinc/70/88/99/721708899.db2.gz JFRUKHUOZCCXTL-JOCHJYFZSA-N 2 1 442.514 3.210 20 0 IGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1 ZINC001165014436 721766859 /nfs/dbraw/zinc/76/68/59/721766859.db2.gz GDEXEPGUXGUBRF-NRFANRHFSA-N 2 1 432.576 3.447 20 0 IGADMP Cc1ccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960613 722025320 /nfs/dbraw/zinc/02/53/20/722025320.db2.gz LLFOWZBOIHCTKL-AUSIDOKSSA-N 2 1 442.995 3.478 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983730 722125381 /nfs/dbraw/zinc/12/53/81/722125381.db2.gz ZIJYEQICOVAYQT-UNMCSNQZSA-N 2 1 442.007 3.453 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983730 722125384 /nfs/dbraw/zinc/12/53/84/722125384.db2.gz ZIJYEQICOVAYQT-UNMCSNQZSA-N 2 1 442.007 3.453 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983283 722145890 /nfs/dbraw/zinc/14/58/90/722145890.db2.gz SXSGLYYWXCSRGD-YADARESESA-N 2 1 434.540 3.374 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983283 722145894 /nfs/dbraw/zinc/14/58/94/722145894.db2.gz SXSGLYYWXCSRGD-YADARESESA-N 2 1 434.540 3.374 20 0 IGADMP O=S(=O)(c1ccccc1)N(c1ncccc1C[NH+]1CCCC1)[C@H]1CCC12CC[NH2+]CC2 ZINC001164687010 719592061 /nfs/dbraw/zinc/59/20/61/719592061.db2.gz PXZOUYXMMDRIIM-QFIPXVFZSA-N 2 1 440.613 3.405 20 0 IGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164711736 720137279 /nfs/dbraw/zinc/13/72/79/720137279.db2.gz JBWXISOBMJFTNW-IBGZPJMESA-N 2 1 442.007 3.283 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001164823886 720322113 /nfs/dbraw/zinc/32/21/13/720322113.db2.gz BODVLZAUKPYLFK-FCHUYYIVSA-N 2 1 436.604 3.458 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164825449 720323803 /nfs/dbraw/zinc/32/38/03/720323803.db2.gz FEMHPLAKJDSOLC-LEWJYISDSA-N 2 1 446.039 3.242 20 0 IGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164730364 720568637 /nfs/dbraw/zinc/56/86/37/720568637.db2.gz VADNAYUJJQNFJB-UHFFFAOYSA-N 2 1 427.556 3.335 20 0 IGADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1 ZINC001164907243 721563297 /nfs/dbraw/zinc/56/32/97/721563297.db2.gz NAQTXXZHAJKHKS-AUSIDOKSSA-N 2 1 426.536 3.036 20 0 IGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164966929 722075731 /nfs/dbraw/zinc/07/57/31/722075731.db2.gz HHXQYMKATQIBOA-KDURUIRLSA-N 2 1 429.634 3.449 20 0 IGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164966929 722075732 /nfs/dbraw/zinc/07/57/32/722075732.db2.gz HHXQYMKATQIBOA-KDURUIRLSA-N 2 1 429.634 3.449 20 0 IGADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165002261 722239841 /nfs/dbraw/zinc/23/98/41/722239841.db2.gz SFQCVGGEILWVTQ-XMMPIXPASA-N 2 1 449.647 3.166 20 0 IGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165002261 722239843 /nfs/dbraw/zinc/23/98/43/722239843.db2.gz SFQCVGGEILWVTQ-XMMPIXPASA-N 2 1 449.647 3.166 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164684985 719609072 /nfs/dbraw/zinc/60/90/72/719609072.db2.gz PQVYIHPAAHBDHM-UHFFFAOYSA-N 2 1 439.942 3.010 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164684985 719609074 /nfs/dbraw/zinc/60/90/74/719609074.db2.gz PQVYIHPAAHBDHM-UHFFFAOYSA-N 2 1 439.942 3.010 20 0 IGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2 ZINC001164710321 720098047 /nfs/dbraw/zinc/09/80/47/720098047.db2.gz IQMUEZJYMIIOCZ-JOCHJYFZSA-N 2 1 436.604 3.288 20 0 IGADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164710321 720098056 /nfs/dbraw/zinc/09/80/56/720098056.db2.gz IQMUEZJYMIIOCZ-JOCHJYFZSA-N 2 1 436.604 3.288 20 0 IGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164710321 720098062 /nfs/dbraw/zinc/09/80/62/720098062.db2.gz IQMUEZJYMIIOCZ-JOCHJYFZSA-N 2 1 436.604 3.288 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164825451 720323598 /nfs/dbraw/zinc/32/35/98/720323598.db2.gz FEMHPLAKJDSOLC-RTWAWAEBSA-N 2 1 446.039 3.242 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164840966 720671443 /nfs/dbraw/zinc/67/14/43/720671443.db2.gz OJGMGNZGFSSPQX-SFHVURJKSA-N 2 1 427.980 3.036 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164842038 720699125 /nfs/dbraw/zinc/69/91/25/720699125.db2.gz LFRMUJFHFLUBLB-QHCPKHFHSA-N 2 1 435.616 3.093 20 0 IGADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164739266 720716349 /nfs/dbraw/zinc/71/63/49/720716349.db2.gz MRCNMCPBPANZAS-RTWAWAEBSA-N 2 1 426.524 3.217 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164745571 720831977 /nfs/dbraw/zinc/83/19/77/720831977.db2.gz WVNJZCOGBKSZTQ-KCZVDYSFSA-N 2 1 448.571 3.223 20 0 IGADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1 ZINC001164907246 721563535 /nfs/dbraw/zinc/56/35/35/721563535.db2.gz NAQTXXZHAJKHKS-XXBNENTESA-N 2 1 426.536 3.036 20 0 IGADMP [NH3+]C1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1 ZINC001164906964 721718587 /nfs/dbraw/zinc/71/85/87/721718587.db2.gz PCJCIIYWLAMDPX-QHCPKHFHSA-N 3 1 442.558 3.142 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164408488 718864162 /nfs/dbraw/zinc/86/41/62/718864162.db2.gz MEXSEYDGMRFAPC-LMMKCTJWSA-N 2 1 441.645 3.227 20 0 IGADMP CCOC(=O)C1CC[NH+](C2CCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC2)CC1 ZINC001164617991 719032747 /nfs/dbraw/zinc/03/27/47/719032747.db2.gz QKNXJALMMNWGJJ-UHFFFAOYSA-N 2 1 427.545 3.496 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(OCc3cccc(Cl)c3)n2)c2c1CC[NH2+]C2 ZINC001164679484 719648905 /nfs/dbraw/zinc/64/89/05/719648905.db2.gz CEQHMORQMIMSER-UHFFFAOYSA-N 2 1 426.952 3.381 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(OCc3cccc(Cl)c3)n2)c2c1CC[NH2+]C2 ZINC001164679484 719648912 /nfs/dbraw/zinc/64/89/12/719648912.db2.gz CEQHMORQMIMSER-UHFFFAOYSA-N 2 1 426.952 3.381 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001164823892 720322232 /nfs/dbraw/zinc/32/22/32/720322232.db2.gz BODVLZAUKPYLFK-YADHBBJMSA-N 2 1 436.604 3.458 20 0 IGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164733952 720524516 /nfs/dbraw/zinc/52/45/16/720524516.db2.gz NHZKBZOUMVBXTI-GOSISDBHSA-N 2 1 439.633 3.298 20 0 IGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]21 ZINC001164843217 720645720 /nfs/dbraw/zinc/64/57/20/720645720.db2.gz VLOWJIGCGKJVTC-GPXNEJASSA-N 2 1 438.620 3.034 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841063 720694805 /nfs/dbraw/zinc/69/48/05/720694805.db2.gz HIZKVBIAYVJQCC-OAQYLSRUSA-N 2 1 435.572 3.338 20 0 IGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841063 720694806 /nfs/dbraw/zinc/69/48/06/720694806.db2.gz HIZKVBIAYVJQCC-OAQYLSRUSA-N 2 1 435.572 3.338 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164745572 720832135 /nfs/dbraw/zinc/83/21/35/720832135.db2.gz WVNJZCOGBKSZTQ-RZUBCFFCSA-N 2 1 448.571 3.223 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164791323 721466301 /nfs/dbraw/zinc/46/63/01/721466301.db2.gz WZJAZQSMCPUHHA-XMMPIXPASA-N 2 1 442.648 3.411 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2 ZINC001164786399 721468613 /nfs/dbraw/zinc/46/86/13/721468613.db2.gz BDAQAWZVPQPBNA-DEOSSOPVSA-N 2 1 442.648 3.410 20 0 IGADMP COCC[NH+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164786399 721468617 /nfs/dbraw/zinc/46/86/17/721468617.db2.gz BDAQAWZVPQPBNA-DEOSSOPVSA-N 2 1 442.648 3.410 20 0 IGADMP COCC[NH+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164786399 721468619 /nfs/dbraw/zinc/46/86/19/721468619.db2.gz BDAQAWZVPQPBNA-DEOSSOPVSA-N 2 1 442.648 3.410 20 0 IGADMP FC1(F)CCN(c2cccc(N3CCOCC3)[nH+]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905579 721718062 /nfs/dbraw/zinc/71/80/62/721718062.db2.gz HUFBWCFAOKQMNV-JOCHJYFZSA-N 2 1 429.515 3.051 20 0 IGADMP COc1cc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164980559 722121929 /nfs/dbraw/zinc/12/19/29/722121929.db2.gz RVMYKNUHCLZGSO-GBXCKJPGSA-N 2 1 434.540 3.374 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983281 722145674 /nfs/dbraw/zinc/14/56/74/722145674.db2.gz SXSGLYYWXCSRGD-NTKDMRAZSA-N 2 1 434.540 3.374 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983281 722145675 /nfs/dbraw/zinc/14/56/75/722145675.db2.gz SXSGLYYWXCSRGD-NTKDMRAZSA-N 2 1 434.540 3.374 20 0 IGADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164403455 718839591 /nfs/dbraw/zinc/83/95/91/718839591.db2.gz JJGWWTBYFDHTOJ-HXUWFJFHSA-N 2 1 448.640 3.438 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)nc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164685208 719612381 /nfs/dbraw/zinc/61/23/81/719612381.db2.gz SQOFNBHTQNCRDG-UHFFFAOYSA-N 2 1 441.754 3.052 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)nc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164685208 719612386 /nfs/dbraw/zinc/61/23/86/719612386.db2.gz SQOFNBHTQNCRDG-UHFFFAOYSA-N 2 1 441.754 3.052 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164825450 720323783 /nfs/dbraw/zinc/32/37/83/720323783.db2.gz FEMHPLAKJDSOLC-NHCUHLMSSA-N 2 1 446.039 3.242 20 0 IGADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164739268 720716048 /nfs/dbraw/zinc/71/60/48/720716048.db2.gz MRCNMCPBPANZAS-SFTDATJTSA-N 2 1 426.524 3.217 20 0 IGADMP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N(C)C)[nH+]1 ZINC001164755894 720874210 /nfs/dbraw/zinc/87/42/10/720874210.db2.gz ZSPCCOGSXQLGMT-DHLKQENFSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164755894 720874215 /nfs/dbraw/zinc/87/42/15/720874215.db2.gz ZSPCCOGSXQLGMT-DHLKQENFSA-N 2 1 436.604 3.001 20 0 IGADMP Cc1nc(N(C)C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164755894 720874218 /nfs/dbraw/zinc/87/42/18/720874218.db2.gz ZSPCCOGSXQLGMT-DHLKQENFSA-N 2 1 436.604 3.001 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864576 721101660 /nfs/dbraw/zinc/10/16/60/721101660.db2.gz GMYPNAKCMGYSFW-LEWJYISDSA-N 2 1 427.980 3.206 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864576 721101670 /nfs/dbraw/zinc/10/16/70/721101670.db2.gz GMYPNAKCMGYSFW-LEWJYISDSA-N 2 1 427.980 3.206 20 0 IGADMP CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164875448 721328015 /nfs/dbraw/zinc/32/80/15/721328015.db2.gz LALXWJARFLQFIZ-UHFFFAOYSA-N 2 1 425.911 3.291 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164784925 721365560 /nfs/dbraw/zinc/36/55/60/721365560.db2.gz RNUJGCGWLDJVFN-VWLOTQADSA-N 2 1 439.604 3.401 20 0 IGADMP Cc1noc(C)c1C[NH+]1CCOC[C@]2(CCCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)C1 ZINC001164780760 721369015 /nfs/dbraw/zinc/36/90/15/721369015.db2.gz HELOBKDNAWLPMP-RUZDIDTESA-N 2 1 439.604 3.400 20 0 IGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164780760 721369020 /nfs/dbraw/zinc/36/90/20/721369020.db2.gz HELOBKDNAWLPMP-RUZDIDTESA-N 2 1 439.604 3.400 20 0 IGADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164780760 721369023 /nfs/dbraw/zinc/36/90/23/721369023.db2.gz HELOBKDNAWLPMP-RUZDIDTESA-N 2 1 439.604 3.400 20 0 IGADMP CCOC(=O)c1ccc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)n1 ZINC001164679561 719636373 /nfs/dbraw/zinc/63/63/73/719636373.db2.gz GTYLCTPHOLNHNZ-UHFFFAOYSA-N 2 1 441.910 3.192 20 0 IGADMP CCOC(=O)c1ccc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)n1 ZINC001164679561 719636380 /nfs/dbraw/zinc/63/63/80/719636380.db2.gz GTYLCTPHOLNHNZ-UHFFFAOYSA-N 2 1 441.910 3.192 20 0 IGADMP COCc1nn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c2c1C[NH2+]C2 ZINC001164714956 720079642 /nfs/dbraw/zinc/07/96/42/720079642.db2.gz XQQAFPZRJFUPOE-UHFFFAOYSA-N 2 1 438.601 3.491 20 0 IGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2 ZINC001164712720 720092373 /nfs/dbraw/zinc/09/23/73/720092373.db2.gz YMXYFSJTJVLDKN-QFIPXVFZSA-N 2 1 436.604 3.288 20 0 IGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814398 720105649 /nfs/dbraw/zinc/10/56/49/720105649.db2.gz SFPNURSMNKHEPW-KCWPFWIISA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814398 720105650 /nfs/dbraw/zinc/10/56/50/720105650.db2.gz SFPNURSMNKHEPW-KCWPFWIISA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164814398 720105651 /nfs/dbraw/zinc/10/56/51/720105651.db2.gz SFPNURSMNKHEPW-KCWPFWIISA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164814398 720105652 /nfs/dbraw/zinc/10/56/52/720105652.db2.gz SFPNURSMNKHEPW-KCWPFWIISA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814402 720106356 /nfs/dbraw/zinc/10/63/56/720106356.db2.gz SFPNURSMNKHEPW-YIXXDRMTSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001164814402 720106371 /nfs/dbraw/zinc/10/63/71/720106371.db2.gz SFPNURSMNKHEPW-YIXXDRMTSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164814402 720106380 /nfs/dbraw/zinc/10/63/80/720106380.db2.gz SFPNURSMNKHEPW-YIXXDRMTSA-N 2 1 447.627 3.220 20 0 IGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164814402 720106386 /nfs/dbraw/zinc/10/63/86/720106386.db2.gz SFPNURSMNKHEPW-YIXXDRMTSA-N 2 1 447.627 3.220 20 0 IGADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCC2 ZINC001164814731 720227307 /nfs/dbraw/zinc/22/73/07/720227307.db2.gz XEKGJLDJKAZOSQ-UHFFFAOYSA-N 2 1 445.011 3.138 20 0 IGADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCC2 ZINC001164814731 720227318 /nfs/dbraw/zinc/22/73/18/720227318.db2.gz XEKGJLDJKAZOSQ-UHFFFAOYSA-N 2 1 445.011 3.138 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164841109 720674887 /nfs/dbraw/zinc/67/48/87/720674887.db2.gz PFOFIRMYTOGJLN-IBGZPJMESA-N 2 1 449.555 3.395 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164841109 720674889 /nfs/dbraw/zinc/67/48/89/720674889.db2.gz PFOFIRMYTOGJLN-IBGZPJMESA-N 2 1 449.555 3.395 20 0 IGADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164844933 720697728 /nfs/dbraw/zinc/69/77/28/720697728.db2.gz WPPKVXKXKWRKFK-SFHVURJKSA-N 2 1 435.528 3.004 20 0 IGADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164844933 720697732 /nfs/dbraw/zinc/69/77/32/720697732.db2.gz WPPKVXKXKWRKFK-SFHVURJKSA-N 2 1 435.528 3.004 20 0 IGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164848008 720806324 /nfs/dbraw/zinc/80/63/24/720806324.db2.gz BMSGRJARCMMUFF-GHTZIAJQSA-N 2 1 436.604 3.475 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754847 720877448 /nfs/dbraw/zinc/87/74/48/720877448.db2.gz TXUDFVWJEAHZJK-OFVILXPXSA-N 2 1 432.572 3.118 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754847 720877453 /nfs/dbraw/zinc/87/74/53/720877453.db2.gz TXUDFVWJEAHZJK-OFVILXPXSA-N 2 1 432.572 3.118 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864582 721101301 /nfs/dbraw/zinc/10/13/01/721101301.db2.gz GMYPNAKCMGYSFW-SFTDATJTSA-N 2 1 427.980 3.206 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864582 721101318 /nfs/dbraw/zinc/10/13/18/721101318.db2.gz GMYPNAKCMGYSFW-SFTDATJTSA-N 2 1 427.980 3.206 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164787468 721462984 /nfs/dbraw/zinc/46/29/84/721462984.db2.gz QUTGQBNOTVFZDT-HSZRJFAPSA-N 2 1 428.621 3.416 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2 ZINC001164786404 721468683 /nfs/dbraw/zinc/46/86/83/721468683.db2.gz BDAQAWZVPQPBNA-XMMPIXPASA-N 2 1 442.648 3.410 20 0 IGADMP COCC[NH+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164786404 721468684 /nfs/dbraw/zinc/46/86/84/721468684.db2.gz BDAQAWZVPQPBNA-XMMPIXPASA-N 2 1 442.648 3.410 20 0 IGADMP COCC[NH+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164786404 721468685 /nfs/dbraw/zinc/46/86/85/721468685.db2.gz BDAQAWZVPQPBNA-XMMPIXPASA-N 2 1 442.648 3.410 20 0 IGADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164902635 721548621 /nfs/dbraw/zinc/54/86/21/721548621.db2.gz ASGCJSUVCMDIOG-IRLDBZIGSA-N 2 1 426.536 3.037 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165024601 721805407 /nfs/dbraw/zinc/80/54/07/721805407.db2.gz MJOUEQHRNBVCJP-DBVUQKKJSA-N 2 1 434.544 3.267 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165024601 721805408 /nfs/dbraw/zinc/80/54/08/721805408.db2.gz MJOUEQHRNBVCJP-DBVUQKKJSA-N 2 1 434.544 3.267 20 0 IGADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC3)C2)cc1 ZINC001164940240 721929561 /nfs/dbraw/zinc/92/95/61/721929561.db2.gz TXZGYLUQCXKPCC-UHFFFAOYSA-N 3 1 435.616 3.189 20 0 IGADMP Cc1ccc(CN2CCOC3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC3)C2)cc1 ZINC001164940240 721929563 /nfs/dbraw/zinc/92/95/63/721929563.db2.gz TXZGYLUQCXKPCC-UHFFFAOYSA-N 2 1 435.616 3.189 20 0 IGADMP Cc1ccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960614 722025265 /nfs/dbraw/zinc/02/52/65/722025265.db2.gz LLFOWZBOIHCTKL-CVDCTZTESA-N 2 1 442.995 3.478 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983729 722125293 /nfs/dbraw/zinc/12/52/93/722125293.db2.gz ZIJYEQICOVAYQT-RBBKRZOGSA-N 2 1 442.007 3.453 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983729 722125294 /nfs/dbraw/zinc/12/52/94/722125294.db2.gz ZIJYEQICOVAYQT-RBBKRZOGSA-N 2 1 442.007 3.453 20 0 IGADMP C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCC2 ZINC001165001772 722254463 /nfs/dbraw/zinc/25/44/63/722254463.db2.gz FTZNNMNSKWMVDI-UHFFFAOYSA-N 2 1 433.000 3.016 20 0 IGADMP C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164391752 718824506 /nfs/dbraw/zinc/82/45/06/718824506.db2.gz WXAZVKZFJQANEM-ZWKOTPCHSA-N 2 1 427.618 3.123 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864580 721100242 /nfs/dbraw/zinc/10/02/42/721100242.db2.gz GMYPNAKCMGYSFW-RTWAWAEBSA-N 2 1 427.980 3.206 20 0 IGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864580 721100251 /nfs/dbraw/zinc/10/02/51/721100251.db2.gz GMYPNAKCMGYSFW-RTWAWAEBSA-N 2 1 427.980 3.206 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2 ZINC001164790338 721447945 /nfs/dbraw/zinc/44/79/45/721447945.db2.gz YJWFMXVYFMOEGQ-QFIPXVFZSA-N 2 1 443.636 3.119 20 0 IGADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1 ZINC001164907245 721563761 /nfs/dbraw/zinc/56/37/61/721563761.db2.gz NAQTXXZHAJKHKS-WMZHIEFXSA-N 2 1 426.536 3.036 20 0 IGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164998801 722211560 /nfs/dbraw/zinc/21/15/60/722211560.db2.gz XZSLSOJEYIHXIP-DEOSSOPVSA-N 2 1 425.552 3.239 20 0 IGADMP CCOC(=O)c1cnc(-c2cccs2)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682383 719616355 /nfs/dbraw/zinc/61/63/55/719616355.db2.gz CSGDZOFYRWWDBF-UHFFFAOYSA-N 2 1 440.573 3.053 20 0 IGADMP CCOC(=O)c1cnc(-c2cccs2)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682383 719616367 /nfs/dbraw/zinc/61/63/67/719616367.db2.gz CSGDZOFYRWWDBF-UHFFFAOYSA-N 2 1 440.573 3.053 20 0 IGADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164727055 720568576 /nfs/dbraw/zinc/56/85/76/720568576.db2.gz ARURSUZENIOFLC-UHFFFAOYSA-N 2 1 445.546 3.474 20 0 IGADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]cc21 ZINC001164840828 720592964 /nfs/dbraw/zinc/59/29/64/720592964.db2.gz QYECULDINBRLIV-KGVIQGDOSA-N 2 1 436.560 3.314 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164839957 720660613 /nfs/dbraw/zinc/66/06/13/720660613.db2.gz LHVZKGGEAYXBNF-SFHVURJKSA-N 2 1 427.980 3.036 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745846 720850146 /nfs/dbraw/zinc/85/01/46/720850146.db2.gz NRNAEIZNCDGWHK-FDFHNCONSA-N 2 1 448.571 3.223 20 0 IGADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745846 720850151 /nfs/dbraw/zinc/85/01/51/720850151.db2.gz NRNAEIZNCDGWHK-FDFHNCONSA-N 2 1 448.571 3.223 20 0 IGADMP c1cn(-c2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cn1 ZINC001164750187 720924809 /nfs/dbraw/zinc/92/48/09/720924809.db2.gz JSXHNHBSJUBZPE-BVAGGSTKSA-N 2 1 444.583 3.417 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164892383 721446501 /nfs/dbraw/zinc/44/65/01/721446501.db2.gz IKQGDOOJCGWGIE-DGWZTRNLSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892383 721446505 /nfs/dbraw/zinc/44/65/05/721446505.db2.gz IKQGDOOJCGWGIE-DGWZTRNLSA-N 2 1 441.664 3.394 20 0 IGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892383 721446508 /nfs/dbraw/zinc/44/65/08/721446508.db2.gz IKQGDOOJCGWGIE-DGWZTRNLSA-N 2 1 441.664 3.394 20 0 IGADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164900423 721524557 /nfs/dbraw/zinc/52/45/57/721524557.db2.gz QYDWTBMVOUJLTK-PKOBYXMFSA-N 2 1 431.943 3.078 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165024611 721805885 /nfs/dbraw/zinc/80/58/85/721805885.db2.gz MJOUEQHRNBVCJP-VDGAXYAQSA-N 2 1 434.544 3.267 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165024611 721805886 /nfs/dbraw/zinc/80/58/86/721805886.db2.gz MJOUEQHRNBVCJP-VDGAXYAQSA-N 2 1 434.544 3.267 20 0 IGADMP C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164404243 718863721 /nfs/dbraw/zinc/86/37/21/718863721.db2.gz ANGDXDZXWLXKQZ-PKOBYXMFSA-N 2 1 441.645 3.371 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164408483 718864388 /nfs/dbraw/zinc/86/43/88/718864388.db2.gz MEXSEYDGMRFAPC-AOIWGVFYSA-N 2 1 441.645 3.227 20 0 IGADMP O=S(=O)(c1ccccc1)N(c1ncccc1C[NH+]1CCCC1)[C@@H]1CCC12CC[NH2+]CC2 ZINC001164687008 719592472 /nfs/dbraw/zinc/59/24/72/719592472.db2.gz PXZOUYXMMDRIIM-JOCHJYFZSA-N 2 1 440.613 3.405 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Cc2nc3c(ncnc3Cl)s2)c2c1CC[NH2+]C2 ZINC001164681887 719654591 /nfs/dbraw/zinc/65/45/91/719654591.db2.gz RWPMAWCEBGVSLK-UHFFFAOYSA-N 2 1 441.939 3.214 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Cc2nc3c(ncnc3Cl)s2)c2c1CC[NH2+]C2 ZINC001164681887 719654595 /nfs/dbraw/zinc/65/45/95/719654595.db2.gz RWPMAWCEBGVSLK-UHFFFAOYSA-N 2 1 441.939 3.214 20 0 IGADMP COCc1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1C[NH2+]C2 ZINC001164713809 720079705 /nfs/dbraw/zinc/07/97/05/720079705.db2.gz UPGINHJTBMEJLF-AWEZNQCLSA-N 2 1 438.601 3.347 20 0 IGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164825452 720323760 /nfs/dbraw/zinc/32/37/60/720323760.db2.gz FEMHPLAKJDSOLC-SFTDATJTSA-N 2 1 446.039 3.242 20 0 IGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164733956 720524734 /nfs/dbraw/zinc/52/47/34/720524734.db2.gz NHZKBZOUMVBXTI-SFHVURJKSA-N 2 1 439.633 3.298 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843215 720645097 /nfs/dbraw/zinc/64/50/97/720645097.db2.gz VLOWJIGCGKJVTC-AOHZBQACSA-N 2 1 438.620 3.034 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164841112 720674379 /nfs/dbraw/zinc/67/43/79/720674379.db2.gz PFOFIRMYTOGJLN-LJQANCHMSA-N 2 1 449.555 3.395 20 0 IGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164841112 720674383 /nfs/dbraw/zinc/67/43/83/720674383.db2.gz PFOFIRMYTOGJLN-LJQANCHMSA-N 2 1 449.555 3.395 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754844 720877327 /nfs/dbraw/zinc/87/73/27/720877327.db2.gz TXUDFVWJEAHZJK-BWKNWUBXSA-N 2 1 432.572 3.118 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754844 720877329 /nfs/dbraw/zinc/87/73/29/720877329.db2.gz TXUDFVWJEAHZJK-BWKNWUBXSA-N 2 1 432.572 3.118 20 0 IGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164787969 721472304 /nfs/dbraw/zinc/47/23/04/721472304.db2.gz HDKSMNXBOKGOQD-XMMPIXPASA-N 2 1 442.648 3.411 20 0 IGADMP C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164391747 718824703 /nfs/dbraw/zinc/82/47/03/718824703.db2.gz WXAZVKZFJQANEM-QZTJIDSGSA-N 2 1 427.618 3.123 20 0 IGADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCO[C@H]5C[NH2+]CC[C@H]5C3)n2)CCC4)CC1 ZINC001164407774 718864259 /nfs/dbraw/zinc/86/42/59/718864259.db2.gz JTEYNBRWVUFAFF-HKUYNNGSSA-N 2 1 441.645 3.227 20 0 IGADMP Cc1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164685216 719655350 /nfs/dbraw/zinc/65/53/50/719655350.db2.gz YOBBLWNMUXRUMA-LJQANCHMSA-N 2 1 446.599 3.360 20 0 IGADMP Cn1ccc2c1nc[nH+]c2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683358 719660745 /nfs/dbraw/zinc/66/07/45/719660745.db2.gz VCMXDDBHEQQRGM-LJQANCHMSA-N 2 1 446.599 3.062 20 0 IGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843218 720645302 /nfs/dbraw/zinc/64/53/02/720645302.db2.gz VLOWJIGCGKJVTC-WPFOTENUSA-N 2 1 438.620 3.034 20 0 IGADMP CCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001165025343 721817847 /nfs/dbraw/zinc/81/78/47/721817847.db2.gz MRYDJIVJBJAURT-AJSBUHFISA-N 2 1 436.604 3.008 20 0 IGADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165002259 722239889 /nfs/dbraw/zinc/23/98/89/722239889.db2.gz SFQCVGGEILWVTQ-DEOSSOPVSA-N 2 1 449.647 3.166 20 0 IGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165002259 722239892 /nfs/dbraw/zinc/23/98/92/722239892.db2.gz SFQCVGGEILWVTQ-DEOSSOPVSA-N 2 1 449.647 3.166 20 0 IGADMP OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401614 718853199 /nfs/dbraw/zinc/85/31/99/718853199.db2.gz CKFXROWHVBLZHJ-KBMIEXCESA-N 2 1 449.624 3.362 20 0 IGADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCO[C@H]5C[NH2+]CC[C@@H]5C3)n2)CCC4)CC1 ZINC001164407776 718864349 /nfs/dbraw/zinc/86/43/49/718864349.db2.gz JTEYNBRWVUFAFF-MJGOQNOKSA-N 2 1 441.645 3.227 20 0 IGADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164617904 719009382 /nfs/dbraw/zinc/00/93/82/719009382.db2.gz QLHAXXOQIGLYNB-NTKDMRAZSA-N 2 1 447.023 3.480 20 0 IGADMP c1csc(C[N@H+]2CCOC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2)c1 ZINC001164698287 719897234 /nfs/dbraw/zinc/89/72/34/719897234.db2.gz QVBGIMLHZGGQHJ-UHFFFAOYSA-N 2 1 442.629 3.489 20 0 IGADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754416 720868200 /nfs/dbraw/zinc/86/82/00/720868200.db2.gz RRPBCNTZEZCEJJ-PXDATVDWSA-N 2 1 434.588 3.201 20 0 IGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nc(NC4CC4)cc[nH+]2)C3)c1 ZINC001164754416 720868204 /nfs/dbraw/zinc/86/82/04/720868204.db2.gz RRPBCNTZEZCEJJ-PXDATVDWSA-N 2 1 434.588 3.201 20 0 IGADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769927 721104636 /nfs/dbraw/zinc/10/46/36/721104636.db2.gz QHBLZCMZGCLGTG-ZCYQVOJMSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769927 721104653 /nfs/dbraw/zinc/10/46/53/721104653.db2.gz QHBLZCMZGCLGTG-ZCYQVOJMSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769927 721104659 /nfs/dbraw/zinc/10/46/59/721104659.db2.gz QHBLZCMZGCLGTG-ZCYQVOJMSA-N 2 1 442.611 3.332 20 0 IGADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164900422 721524241 /nfs/dbraw/zinc/52/42/41/721524241.db2.gz QYDWTBMVOUJLTK-MJGOQNOKSA-N 2 1 431.943 3.078 20 0 IGADMP CC[NH+](CC)C1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC001165054127 722004645 /nfs/dbraw/zinc/00/46/45/722004645.db2.gz ZYBPLKFNLIDCHE-LJQANCHMSA-N 2 1 445.652 3.191 20 0 IGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164998802 722211723 /nfs/dbraw/zinc/21/17/23/722211723.db2.gz XZSLSOJEYIHXIP-XMMPIXPASA-N 2 1 425.552 3.239 20 0 IGADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614740 719017633 /nfs/dbraw/zinc/01/76/33/719017633.db2.gz GHNJHTRYPJAGAQ-OKZBNKHCSA-N 2 1 443.617 3.024 20 0 IGADMP CC(C)[N@H+](C)Cc1nn(-c2c(Cl)nnc(Cl)c2N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164680948 719654371 /nfs/dbraw/zinc/65/43/71/719654371.db2.gz JOASHKRRVBIVEI-UHFFFAOYSA-N 2 1 438.407 3.445 20 0 IGADMP CC(C)[N@@H+](C)Cc1nn(-c2c(Cl)nnc(Cl)c2N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164680948 719654382 /nfs/dbraw/zinc/65/43/82/719654382.db2.gz JOASHKRRVBIVEI-UHFFFAOYSA-N 2 1 438.407 3.445 20 0 IGADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(NC4CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164681373 719655195 /nfs/dbraw/zinc/65/51/95/719655195.db2.gz MVOMGUOOIMKSMO-IBGZPJMESA-N 2 1 448.615 3.144 20 0 IGADMP Cc1cc2c(nc[nH+]c2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164685232 719663535 /nfs/dbraw/zinc/66/35/35/719663535.db2.gz YPQBFAPGDMISIX-IBGZPJMESA-N 2 1 446.599 3.360 20 0 IGADMP CCc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(C)[nH+]1 ZINC001164683560 719677564 /nfs/dbraw/zinc/67/75/64/719677564.db2.gz SFEPBBYNXGELOO-HXUWFJFHSA-N 2 1 435.616 3.441 20 0 IGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164839956 720659910 /nfs/dbraw/zinc/65/99/10/720659910.db2.gz LHVZKGGEAYXBNF-GOSISDBHSA-N 2 1 427.980 3.036 20 0 IGADMP Cc1ccc(C[NH+]2CCC3(CCN(c4ccnc(N5CC[NH+](C)CC5)n4)CC3)CC2)cc1 ZINC001164758635 721046664 /nfs/dbraw/zinc/04/66/64/721046664.db2.gz ABRYWLQIUUIHFS-UHFFFAOYSA-N 2 1 434.632 3.419 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164787471 721463026 /nfs/dbraw/zinc/46/30/26/721463026.db2.gz QUTGQBNOTVFZDT-QHCPKHFHSA-N 2 1 428.621 3.416 20 0 IGADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164900357 721524481 /nfs/dbraw/zinc/52/44/81/721524481.db2.gz QYDWTBMVOUJLTK-IEBWSBKVSA-N 2 1 431.943 3.078 20 0 IGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164391150 718824361 /nfs/dbraw/zinc/82/43/61/718824361.db2.gz SWSYXEQBIKXTKG-NEWSRXKRSA-N 2 1 441.645 3.369 20 0 IGADMP C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164404218 718863755 /nfs/dbraw/zinc/86/37/55/718863755.db2.gz ANGDXDZXWLXKQZ-HKUYNNGSSA-N 2 1 441.645 3.371 20 0 IGADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCO[C@@H]5C[NH2+]CC[C@H]5C3)n2)CCC4)CC1 ZINC001164407777 718864168 /nfs/dbraw/zinc/86/41/68/718864168.db2.gz JTEYNBRWVUFAFF-PKOBYXMFSA-N 2 1 441.645 3.227 20 0 IGADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769924 721105106 /nfs/dbraw/zinc/10/51/06/721105106.db2.gz QHBLZCMZGCLGTG-ILBGXUMGSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769924 721105109 /nfs/dbraw/zinc/10/51/09/721105109.db2.gz QHBLZCMZGCLGTG-ILBGXUMGSA-N 2 1 442.611 3.332 20 0 IGADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769924 721105119 /nfs/dbraw/zinc/10/51/19/721105119.db2.gz QHBLZCMZGCLGTG-ILBGXUMGSA-N 2 1 442.611 3.332 20 0 IGADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164790667 721466906 /nfs/dbraw/zinc/46/69/06/721466906.db2.gz UHVMNYKUFSYLHV-QFIPXVFZSA-N 2 1 443.636 3.201 20 0 IGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164790667 721466908 /nfs/dbraw/zinc/46/69/08/721466908.db2.gz UHVMNYKUFSYLHV-QFIPXVFZSA-N 2 1 443.636 3.201 20 0 IGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164795714 721502058 /nfs/dbraw/zinc/50/20/58/721502058.db2.gz KEQXBIBXVNAHMK-UHFFFAOYSA-N 2 1 436.604 3.131 20 0 IGADMP