smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000041720756 344973403 /nfs/dbraw/zinc/97/34/03/344973403.db2.gz GPLCQBIQPIYEGI-ZDUSSCGKSA-N 2 1 267.376 3.131 50 0 CGAAMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000066354492 369692533 /nfs/dbraw/zinc/69/25/33/369692533.db2.gz LGSNQVMIVAHETM-ZWKOTPCHSA-N 2 1 266.388 3.003 50 0 CGAAMP Cc1[nH+]ccn1CCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000097468099 370242262 /nfs/dbraw/zinc/24/22/62/370242262.db2.gz ADUKPLSDRVAJGO-UHFFFAOYSA-N 2 1 299.418 3.199 50 0 CGAAMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174396547 373305480 /nfs/dbraw/zinc/30/54/80/373305480.db2.gz NMLDYRJVIMHGHG-IBGZPJMESA-N 2 1 295.430 3.036 50 0 CGAAMP COc1cccc(C[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C2CC2)c1 ZINC000247871467 377242668 /nfs/dbraw/zinc/24/26/68/377242668.db2.gz DMCXOZZPVMMTMT-FZNQNYSPSA-N 2 1 288.435 3.177 50 0 CGAAMP Cc1ccc([C@H](C)CC[N@H+](C)CCn2cc[nH+]c2C)o1 ZINC000215267217 392988013 /nfs/dbraw/zinc/98/80/13/392988013.db2.gz WUPFLTVCRRTQRO-CYBMUJFWSA-N 2 1 275.396 3.219 50 0 CGAAMP Cc1ccc([C@H](C)CC[N@@H+](C)CCn2cc[nH+]c2C)o1 ZINC000215267217 392988027 /nfs/dbraw/zinc/98/80/27/392988027.db2.gz WUPFLTVCRRTQRO-CYBMUJFWSA-N 2 1 275.396 3.219 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534584223 328311861 /nfs/dbraw/zinc/31/18/61/328311861.db2.gz JHKDEXZVNAGUGM-OAHLLOKOSA-N 2 1 283.419 3.253 50 0 CGAAMP COCC1(C[NH2+][C@H](C)C[NH+]2CCCCCC2)CCCC1 ZINC001506405512 937989583 /nfs/dbraw/zinc/98/95/83/937989583.db2.gz JMORXFIBUXXMBO-MRXNPFEDSA-N 2 1 282.472 3.047 50 0 CGAAMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccccc2)CCC1 ZINC000097022693 185153795 /nfs/dbraw/zinc/15/37/95/185153795.db2.gz FRGSQVZVDHDRST-UHFFFAOYSA-N 2 1 269.392 3.251 50 0 CGAAMP C/C(=C\c1ccccc1F)C[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000095698922 345899899 /nfs/dbraw/zinc/89/98/99/345899899.db2.gz FPOIECCDFNHLND-GRNBYLDVSA-N 2 1 276.399 3.303 50 0 CGAAMP COc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004568995 368552062 /nfs/dbraw/zinc/55/20/62/368552062.db2.gz CORYJBBPBOFFSL-UHFFFAOYSA-N 2 1 276.424 3.094 50 0 CGAAMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c2ccccc12 ZINC000097229205 370235355 /nfs/dbraw/zinc/23/53/55/370235355.db2.gz YLUQFQCACIJUHN-ZFWWWQNUSA-N 2 1 284.403 3.160 50 0 CGAAMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cccnc2)C1 ZINC000229315861 376459681 /nfs/dbraw/zinc/45/96/81/376459681.db2.gz LREUFWQPTRHVSA-MAUKXSAKSA-N 2 1 281.403 3.007 50 0 CGAAMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000253370876 377687439 /nfs/dbraw/zinc/68/74/39/377687439.db2.gz XLQWRAZBFROFPJ-RVKKMQEKSA-N 2 1 289.467 3.197 50 0 CGAAMP Cn1ccc2ccc(C[N@H+]3CCCC[C@H]3CC[NH+](C)C)cc21 ZINC000072430245 618672201 /nfs/dbraw/zinc/67/22/01/618672201.db2.gz VSPDGPDWDYCYOB-SFHVURJKSA-N 2 1 299.462 3.485 50 0 CGAAMP CCc1[nH+]ccn1CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000952869188 800684572 /nfs/dbraw/zinc/68/45/72/800684572.db2.gz LYPFNHSHRWFYAL-HNNXBMFYSA-N 2 1 271.408 3.229 50 0 CGAAMP C[N@@H+](Cc1ccccc1)C1CCN(c2ccncc2F)CC1 ZINC001506395911 937989447 /nfs/dbraw/zinc/98/94/47/937989447.db2.gz PDYHQJXQQVLHHX-UHFFFAOYSA-N 2 1 299.393 3.322 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC001506398735 937989732 /nfs/dbraw/zinc/98/97/32/937989732.db2.gz FQUUHOGHGCGXSC-OAHLLOKOSA-N 2 1 283.419 3.421 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCn1ccc2ccccc21 ZINC001506429674 937990146 /nfs/dbraw/zinc/99/01/46/937990146.db2.gz SVXASPWVFUBTOE-HNNXBMFYSA-N 2 1 296.418 3.079 50 0 CGAAMP C[NH+](C)CCNc1cc(-c2ccncc2)[nH+]c2ccccc12 ZINC000000163639 368305752 /nfs/dbraw/zinc/30/57/52/368305752.db2.gz ULQPITQRWIPCEM-UHFFFAOYSA-N 2 1 292.386 3.270 50 0 CGAAMP Cc1ccsc1C[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC000019147790 368743717 /nfs/dbraw/zinc/74/37/17/368743717.db2.gz MRHNYLYSIAUHIG-UHFFFAOYSA-N 2 1 266.454 3.220 50 0 CGAAMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067741485 369727589 /nfs/dbraw/zinc/72/75/89/369727589.db2.gz DMGPXZCXKVKODZ-QIPRVMPFSA-N 2 1 270.420 3.165 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000195546995 376112446 /nfs/dbraw/zinc/11/24/46/376112446.db2.gz JKGYDMBQKWPCFG-INIZCTEOSA-N 2 1 287.382 3.210 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000195546995 376112453 /nfs/dbraw/zinc/11/24/53/376112453.db2.gz JKGYDMBQKWPCFG-INIZCTEOSA-N 2 1 287.382 3.210 50 0 CGAAMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000215857828 376152754 /nfs/dbraw/zinc/15/27/54/376152754.db2.gz RMQJNXMWDPADDB-MRXNPFEDSA-N 2 1 264.388 3.050 50 0 CGAAMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000215857828 376152759 /nfs/dbraw/zinc/15/27/59/376152759.db2.gz RMQJNXMWDPADDB-MRXNPFEDSA-N 2 1 264.388 3.050 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000575545813 377918241 /nfs/dbraw/zinc/91/82/41/377918241.db2.gz JWWZCAGGGZRISK-QGZVFWFLSA-N 2 1 296.418 3.301 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000575545813 377918245 /nfs/dbraw/zinc/91/82/45/377918245.db2.gz JWWZCAGGGZRISK-QGZVFWFLSA-N 2 1 296.418 3.301 50 0 CGAAMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCC2)C1 ZINC000216485711 392991054 /nfs/dbraw/zinc/99/10/54/392991054.db2.gz PFMSXAAVILEFNX-MRXNPFEDSA-N 2 1 288.435 3.003 50 0 CGAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]C1(Cc2cccc(C)c2)CC1 ZINC000534657454 328340766 /nfs/dbraw/zinc/34/07/66/328340766.db2.gz FIBBVGFGKBIMPX-HNNXBMFYSA-N 2 1 283.419 3.253 50 0 CGAAMP CCC[NH+]1CCC([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000019225164 641034561 /nfs/dbraw/zinc/03/45/61/641034561.db2.gz SPYOJILYLIZJDW-JKSUJKDBSA-N 2 1 264.457 3.373 50 0 CGAAMP CCC[NH+]1CCC([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000019225164 641034567 /nfs/dbraw/zinc/03/45/67/641034567.db2.gz SPYOJILYLIZJDW-JKSUJKDBSA-N 2 1 264.457 3.373 50 0 CGAAMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000187623407 230395940 /nfs/dbraw/zinc/39/59/40/230395940.db2.gz BSWKJXQJFADSNZ-GFCCVEGCSA-N 2 1 266.816 3.127 50 0 CGAAMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)CC1 ZINC000097173235 370232729 /nfs/dbraw/zinc/23/27/29/370232729.db2.gz XWJLNNMLVMOWAH-NJELEJDNSA-N 2 1 276.399 3.255 50 0 CGAAMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)CC1 ZINC000097173235 370232734 /nfs/dbraw/zinc/23/27/34/370232734.db2.gz XWJLNNMLVMOWAH-NJELEJDNSA-N 2 1 276.399 3.255 50 0 CGAAMP C[C@H](CCc1c[nH]c2ccccc12)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426739118 372171086 /nfs/dbraw/zinc/17/10/86/372171086.db2.gz WCIFBVNRBHWVFY-JNNRSPCRSA-N 2 1 297.446 3.158 50 0 CGAAMP CSCC[N@@H+](C)Cc1cccc([C@H](C)[NH+](C)C)c1 ZINC000215734020 376149694 /nfs/dbraw/zinc/14/96/94/376149694.db2.gz ATGDWWQVAGOCFV-ZDUSSCGKSA-N 2 1 266.454 3.104 50 0 CGAAMP C[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])Cc2ccco2)[C@H]1C ZINC000242750558 376783270 /nfs/dbraw/zinc/78/32/70/376783270.db2.gz ZSXDGBYADISEHJ-IJEWVQPXSA-N 2 1 264.413 3.255 50 0 CGAAMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000097162662 392260155 /nfs/dbraw/zinc/26/01/55/392260155.db2.gz GUYBGSUMBRUEQS-HOCLYGCPSA-N 2 1 276.424 3.177 50 0 CGAAMP C[NH+](C)C1C(c2ccccc2)C([NH+](C)C)C1c1ccccc1 ZINC000045027945 175293309 /nfs/dbraw/zinc/29/33/09/175293309.db2.gz WXZWBLCZMNJUAF-UHFFFAOYSA-N 2 1 294.442 3.428 50 0 CGAAMP CC[N@H+](Cc1cc(C[NH+](C)C)cs1)C[C@@H]1CCCCO1 ZINC000215040370 262338716 /nfs/dbraw/zinc/33/87/16/262338716.db2.gz VOYKAMUZMJEBFQ-HNNXBMFYSA-N 2 1 296.480 3.201 50 0 CGAAMP C[N@H+]1CC[C@@](C)(C[NH2+]Cc2ccc(-c3ccco3)cc2)C1 ZINC000952976851 616346943 /nfs/dbraw/zinc/34/69/43/616346943.db2.gz MPUURAQZGVBAAA-SFHVURJKSA-N 2 1 284.403 3.378 50 0 CGAAMP [NH3+][C@@H]1CCC12C[NH+](C(c1ccccc1)c1ccccc1)C2 ZINC000095707591 185018041 /nfs/dbraw/zinc/01/80/41/185018041.db2.gz DSZKDNIUEMPRKJ-QGZVFWFLSA-N 2 1 278.399 3.199 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000584889716 346722051 /nfs/dbraw/zinc/72/20/51/346722051.db2.gz FUXRPDQOWHUJEV-HNNXBMFYSA-N 2 1 283.419 3.421 50 0 CGAAMP COc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000019912863 368781564 /nfs/dbraw/zinc/78/15/64/368781564.db2.gz YXJOJKZIRQOMLN-OAHLLOKOSA-N 2 1 276.424 3.049 50 0 CGAAMP COc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000019912863 368781570 /nfs/dbraw/zinc/78/15/70/368781570.db2.gz YXJOJKZIRQOMLN-OAHLLOKOSA-N 2 1 276.424 3.049 50 0 CGAAMP Cc1ccc(CNC2=[NH+]CCC[NH2+][C@]23CCC[C@H](C)C3)cc1 ZINC000064459869 369652753 /nfs/dbraw/zinc/65/27/53/369652753.db2.gz FRWYTSJFCDSONF-LPHOPBHVSA-N 2 1 299.462 3.425 50 0 biogenic CGAAMP Cc1ccc([C@@H](C)CC[N@H+](C)CCn2cc[nH+]c2C)o1 ZINC000215267168 392987823 /nfs/dbraw/zinc/98/78/23/392987823.db2.gz WUPFLTVCRRTQRO-ZDUSSCGKSA-N 2 1 275.396 3.219 50 0 CGAAMP Cc1ccc([C@@H](C)CC[N@@H+](C)CCn2cc[nH+]c2C)o1 ZINC000215267168 392987834 /nfs/dbraw/zinc/98/78/34/392987834.db2.gz WUPFLTVCRRTQRO-ZDUSSCGKSA-N 2 1 275.396 3.219 50 0 CGAAMP C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C ZINC000004820466 170023271 /nfs/dbraw/zinc/02/32/71/170023271.db2.gz UDTRLIVLFCHUOX-QLFBSQMISA-N 2 1 264.413 3.255 50 0 CGAAMP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000071924520 176301548 /nfs/dbraw/zinc/30/15/48/176301548.db2.gz HFLGPPABMQFMAN-FYWRMAATSA-N 2 1 270.420 3.306 50 0 CGAAMP CCc1nc(C)c(C[NH2+]CC[C@H]2CCCC[N@@H+]2C(C)C)[nH]1 ZINC000952990675 615737373 /nfs/dbraw/zinc/73/73/73/615737373.db2.gz RYMXEIUVVCERTQ-OAHLLOKOSA-N 2 1 292.471 3.023 50 0 CGAAMP CCc1nc(C)c(C[NH2+]CC[C@H]2CCCC[N@H+]2C(C)C)[nH]1 ZINC000952990675 615737375 /nfs/dbraw/zinc/73/73/75/615737375.db2.gz RYMXEIUVVCERTQ-OAHLLOKOSA-N 2 1 292.471 3.023 50 0 CGAAMP Cc1[nH+]ccn1CC[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000584896188 346723044 /nfs/dbraw/zinc/72/30/44/346723044.db2.gz IPYQAFXIKRYTGZ-GOSISDBHSA-N 2 1 299.418 3.092 50 0 CGAAMP C[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])Cc2ccco2)[C@@H]1C ZINC000032919840 368952448 /nfs/dbraw/zinc/95/24/48/368952448.db2.gz ZSXDGBYADISEHJ-IIAWOOMASA-N 2 1 264.413 3.255 50 0 CGAAMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000066354693 369692286 /nfs/dbraw/zinc/69/22/86/369692286.db2.gz LGSNQVMIVAHETM-QZTJIDSGSA-N 2 1 266.388 3.003 50 0 CGAAMP C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068593363 369745049 /nfs/dbraw/zinc/74/50/49/369745049.db2.gz CDEKEQYZEKYEAI-AAEUAGOBSA-N 2 1 272.314 3.047 50 0 CGAAMP Clc1ccc(C[N@H+]2CC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071762175 369809354 /nfs/dbraw/zinc/80/93/54/369809354.db2.gz ZFSMTOLZEIAVKI-OAHLLOKOSA-N 2 1 278.827 3.162 50 0 CGAAMP CCCCCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000077276251 541912235 /nfs/dbraw/zinc/91/22/35/541912235.db2.gz UFFXHGPWUAUVBU-UHFFFAOYSA-N 2 1 282.472 3.142 50 0 CGAAMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)CC(C)(C)c1ccccc1 ZINC000377862845 379752328 /nfs/dbraw/zinc/75/23/28/379752328.db2.gz ZNSCZGJYKQSQLJ-MRXNPFEDSA-N 2 1 297.446 3.355 50 0 CGAAMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)CC(C)(C)c1ccccc1 ZINC000377862845 379752336 /nfs/dbraw/zinc/75/23/36/379752336.db2.gz ZNSCZGJYKQSQLJ-MRXNPFEDSA-N 2 1 297.446 3.355 50 0 CGAAMP CCc1ccc([C@H](C)[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000097165402 392261956 /nfs/dbraw/zinc/26/19/56/392261956.db2.gz KEZLUELKAVZQOQ-LBPRGKRZSA-N 2 1 266.454 3.398 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000670439148 543154253 /nfs/dbraw/zinc/15/42/53/543154253.db2.gz CCPHDFAAJJIRMN-QGZVFWFLSA-N 2 1 273.424 3.404 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000670439148 543154255 /nfs/dbraw/zinc/15/42/55/543154255.db2.gz CCPHDFAAJJIRMN-QGZVFWFLSA-N 2 1 273.424 3.404 50 0 CGAAMP C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072158782 176329312 /nfs/dbraw/zinc/32/93/12/176329312.db2.gz KCENJVZCYPERTL-ZWKOTPCHSA-N 2 1 272.436 3.383 50 0 CGAAMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072158782 176329314 /nfs/dbraw/zinc/32/93/14/176329314.db2.gz KCENJVZCYPERTL-ZWKOTPCHSA-N 2 1 272.436 3.383 50 0 CGAAMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072158782 176329315 /nfs/dbraw/zinc/32/93/15/176329315.db2.gz KCENJVZCYPERTL-ZWKOTPCHSA-N 2 1 272.436 3.383 50 0 CGAAMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072158782 176329318 /nfs/dbraw/zinc/32/93/18/176329318.db2.gz KCENJVZCYPERTL-ZWKOTPCHSA-N 2 1 272.436 3.383 50 0 CGAAMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000095968501 274860770 /nfs/dbraw/zinc/86/07/70/274860770.db2.gz XFBDHFWUSDBVSA-GOSISDBHSA-N 2 1 283.419 3.119 50 0 CGAAMP CC[C@@H](Cc1ccco1)[NH2+]CCCNc1ccc(C)c[nH+]1 ZINC000822620666 800462597 /nfs/dbraw/zinc/46/25/97/800462597.db2.gz DOXXRBOBLDYQPF-HNNXBMFYSA-N 2 1 287.407 3.396 50 0 CGAAMP c1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000001229356 368404500 /nfs/dbraw/zinc/40/45/00/368404500.db2.gz HPMXEBPOHLVJNH-UHFFFAOYSA-N 2 1 294.442 3.483 50 0 CGAAMP CCc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000065461920 369677970 /nfs/dbraw/zinc/67/79/70/369677970.db2.gz ZPHVVZNZZDWLPT-HNNXBMFYSA-N 2 1 260.425 3.023 50 0 CGAAMP CCc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000065461920 369677974 /nfs/dbraw/zinc/67/79/74/369677974.db2.gz ZPHVVZNZZDWLPT-HNNXBMFYSA-N 2 1 260.425 3.023 50 0 CGAAMP CCc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000065461920 369677981 /nfs/dbraw/zinc/67/79/81/369677981.db2.gz ZPHVVZNZZDWLPT-HNNXBMFYSA-N 2 1 260.425 3.023 50 0 CGAAMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c2ccccc12 ZINC000097229200 370235792 /nfs/dbraw/zinc/23/57/92/370235792.db2.gz YLUQFQCACIJUHN-UKRRQHHQSA-N 2 1 284.403 3.160 50 0 CGAAMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000097499423 370245974 /nfs/dbraw/zinc/24/59/74/370245974.db2.gz UMVRHOOKPPEDCD-QGZVFWFLSA-N 2 1 295.430 3.235 50 0 CGAAMP CCOc1ccccc1[C@@H](CC)[NH2+]C1CC[NH+](C)CC1 ZINC000095421549 370187740 /nfs/dbraw/zinc/18/77/40/370187740.db2.gz SRQFZUWVOWMIPY-MRXNPFEDSA-N 2 1 276.424 3.220 50 0 CGAAMP CC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000004745617 170010466 /nfs/dbraw/zinc/01/04/66/170010466.db2.gz QZHXTSOPVCKKKL-HNNXBMFYSA-N 2 1 260.425 3.381 50 0 CGAAMP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421821444 295244462 /nfs/dbraw/zinc/24/44/62/295244462.db2.gz RKJUPYRFOUJJTO-QGZVFWFLSA-N 2 1 294.414 3.215 50 0 CGAAMP Cc1ccc(CNC2=[NH+]CCC[NH2+][C@]23CCC[C@@H](C)C3)cc1 ZINC000064459872 369653136 /nfs/dbraw/zinc/65/31/36/369653136.db2.gz FRWYTSJFCDSONF-APWZRJJASA-N 2 1 299.462 3.425 50 0 biogenic CGAAMP Cc1[nH+]cn(C[C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1C ZINC000089547602 370042132 /nfs/dbraw/zinc/04/21/32/370042132.db2.gz ZRDCOVYMMNXYMQ-CYBMUJFWSA-N 2 1 296.418 3.202 50 0 CGAAMP C[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000177382580 373678369 /nfs/dbraw/zinc/67/83/69/373678369.db2.gz KLFWOYZJBKTAIY-UHFFFAOYSA-N 2 1 291.826 3.048 50 0 CGAAMP CC[NH+]1CCC([N@H+](C)Cc2ccc3nc(C)ccc3c2)CC1 ZINC000225476375 376312846 /nfs/dbraw/zinc/31/28/46/376312846.db2.gz DMRGMBIVAVAJAX-UHFFFAOYSA-N 2 1 297.446 3.459 50 0 CGAAMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3nc(C)ccc3c2)CC1 ZINC000225476375 376312853 /nfs/dbraw/zinc/31/28/53/376312853.db2.gz DMRGMBIVAVAJAX-UHFFFAOYSA-N 2 1 297.446 3.459 50 0 CGAAMP CCN1CCC([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000002499062 333046470 /nfs/dbraw/zinc/04/64/70/333046470.db2.gz MCSMIHDZYAGZDX-GOEBONIOSA-N 2 1 250.430 3.125 50 0 CGAAMP CCCCn1cc[nH+]c1C1CCN(c2cc[nH+]c(N)c2)CC1 ZINC000091808487 535153135 /nfs/dbraw/zinc/15/31/35/535153135.db2.gz WWCOIYXNIHPRMR-UHFFFAOYSA-N 2 1 299.422 3.044 50 0 CGAAMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC001506402391 937989707 /nfs/dbraw/zinc/98/97/07/937989707.db2.gz XVXXAKMKIIJEDK-CYBMUJFWSA-N 2 1 268.832 3.201 50 0 CGAAMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC001506402391 937989708 /nfs/dbraw/zinc/98/97/08/937989708.db2.gz XVXXAKMKIIJEDK-CYBMUJFWSA-N 2 1 268.832 3.201 50 0 CGAAMP C[N@H+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC001529181983 938071557 /nfs/dbraw/zinc/07/15/57/938071557.db2.gz SHFKTLLZFXSLKV-DOMZBBRYSA-N 2 1 289.398 3.256 50 0 CGAAMP [NH3+][C@H]1CCC12C[NH+](C(c1ccccc1)c1ccccc1)C2 ZINC000095707590 185017935 /nfs/dbraw/zinc/01/79/35/185017935.db2.gz DSZKDNIUEMPRKJ-KRWDZBQOSA-N 2 1 278.399 3.199 50 0 CGAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000086279325 179262880 /nfs/dbraw/zinc/26/28/80/179262880.db2.gz ZRMAPVGTFLDUOE-AWEZNQCLSA-N 2 1 294.402 3.370 50 0 CGAAMP CS[C@@H](C)CC[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000106975660 186154747 /nfs/dbraw/zinc/15/47/47/186154747.db2.gz ABNHGDZPHWRDBP-HNNXBMFYSA-N 2 1 293.480 3.044 50 0 CGAAMP CCCC[N@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000002494470 368457002 /nfs/dbraw/zinc/45/70/02/368457002.db2.gz AAZHFZSDKNSRIJ-UHFFFAOYSA-N 2 1 274.452 3.425 50 0 CGAAMP CCCC[N@@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000002494470 368457010 /nfs/dbraw/zinc/45/70/10/368457010.db2.gz AAZHFZSDKNSRIJ-UHFFFAOYSA-N 2 1 274.452 3.425 50 0 CGAAMP CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095352779 370177357 /nfs/dbraw/zinc/17/73/57/370177357.db2.gz SRXAKRMJLNDTNV-HNNXBMFYSA-N 2 1 284.407 3.462 50 0 CGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000215954991 376154341 /nfs/dbraw/zinc/15/43/41/376154341.db2.gz FESWFXTUCLSMBV-UHFFFAOYSA-N 2 1 287.407 3.111 50 0 CGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000215954991 376154347 /nfs/dbraw/zinc/15/43/47/376154347.db2.gz FESWFXTUCLSMBV-UHFFFAOYSA-N 2 1 287.407 3.111 50 0 CGAAMP CC[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000670460387 543156503 /nfs/dbraw/zinc/15/65/03/543156503.db2.gz XIGLMULSBNBOSR-INIZCTEOSA-N 2 1 290.451 3.249 50 0 CGAAMP COC(C)(C)C[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020524494 171237411 /nfs/dbraw/zinc/23/74/11/171237411.db2.gz PBHMIPYGRFHEKR-AWEZNQCLSA-N 2 1 270.461 3.044 50 0 CGAAMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068593361 277073770 /nfs/dbraw/zinc/07/37/70/277073770.db2.gz CDEKEQYZEKYEAI-YPMHNXCESA-N 2 1 272.314 3.047 50 0 CGAAMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1coc2ccccc12 ZINC000863982333 629721536 /nfs/dbraw/zinc/72/15/36/629721536.db2.gz CYQGGROKARMHHU-GFCCVEGCSA-N 2 1 258.365 3.178 50 0 CGAAMP CC(C)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)s1 ZINC000821459865 800457002 /nfs/dbraw/zinc/45/70/02/800457002.db2.gz MMPKNPXBQWJQKZ-WNKDZCFJSA-N 2 1 290.476 3.129 50 0 CGAAMP [NH3+][C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000113904613 345962523 /nfs/dbraw/zinc/96/25/23/345962523.db2.gz MECDCHFRZHLREI-PMACEKPBSA-N 2 1 292.426 3.240 50 0 CGAAMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000215857780 376152250 /nfs/dbraw/zinc/15/22/50/376152250.db2.gz RMQJNXMWDPADDB-INIZCTEOSA-N 2 1 264.388 3.050 50 0 CGAAMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000215857780 376152256 /nfs/dbraw/zinc/15/22/56/376152256.db2.gz RMQJNXMWDPADDB-INIZCTEOSA-N 2 1 264.388 3.050 50 0 CGAAMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000070074741 175870261 /nfs/dbraw/zinc/87/02/61/175870261.db2.gz GMUJXPCPLFGMDM-CHWSQXEVSA-N 2 1 274.433 3.461 50 0 CGAAMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccn1 ZINC000096500630 533972706 /nfs/dbraw/zinc/97/27/06/533972706.db2.gz PZUJCWBWZXOFPA-HRCADAONSA-N 2 1 287.451 3.385 50 0 CGAAMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccn1 ZINC000096500630 533972716 /nfs/dbraw/zinc/97/27/16/533972716.db2.gz PZUJCWBWZXOFPA-HRCADAONSA-N 2 1 287.451 3.385 50 0 CGAAMP Cc1ccc(NCCC[NH2+][C@H](C)C2CCCC2)[nH+]c1 ZINC000820735751 800455050 /nfs/dbraw/zinc/45/50/50/800455050.db2.gz KXVRHQABXOXPBJ-CQSZACIVSA-N 2 1 261.413 3.360 50 0 CGAAMP CC[N@H+]1CC[C@@H](C[NH+](C)CCSc2ccccc2)C1 ZINC001529110458 938070958 /nfs/dbraw/zinc/07/09/58/938070958.db2.gz NVCFGPMTCIGCSC-HNNXBMFYSA-N 2 1 278.465 3.052 50 0 CGAAMP CC[NH+]1CC[C@@H](C[N@H+](C)CCSc2ccccc2)C1 ZINC001529110458 938070959 /nfs/dbraw/zinc/07/09/59/938070959.db2.gz NVCFGPMTCIGCSC-HNNXBMFYSA-N 2 1 278.465 3.052 50 0 CGAAMP CC[NH+]1CC[C@@H](C[N@@H+](C)CCSc2ccccc2)C1 ZINC001529110458 938070960 /nfs/dbraw/zinc/07/09/60/938070960.db2.gz NVCFGPMTCIGCSC-HNNXBMFYSA-N 2 1 278.465 3.052 50 0 CGAAMP C[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000122052433 187012471 /nfs/dbraw/zinc/01/24/71/187012471.db2.gz MHGJGDFHKDUVLK-TZUVLKIQSA-N 2 1 290.426 3.362 50 0 CGAAMP C[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000122052433 187012472 /nfs/dbraw/zinc/01/24/72/187012472.db2.gz MHGJGDFHKDUVLK-TZUVLKIQSA-N 2 1 290.426 3.362 50 0 CGAAMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140871 369067688 /nfs/dbraw/zinc/06/76/88/369067688.db2.gz BBRZAKQJIIXVIB-INIZCTEOSA-N 2 1 288.460 3.440 50 0 CGAAMP c1cn(CC2CCC2)c([C@@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000095359860 370179000 /nfs/dbraw/zinc/17/90/00/370179000.db2.gz MSOYSEWGMRJLEA-MRXNPFEDSA-N 2 1 296.418 3.462 50 0 CGAAMP C[C@H](Cc1ccccc1)[NH2+]CC[NH2+][C@H](C)Cc1ccccc1 ZINC000019369253 541854320 /nfs/dbraw/zinc/85/43/20/541854320.db2.gz ITDDGZIPHVSQPV-QZTJIDSGSA-N 2 1 296.458 3.428 50 0 CGAAMP C[C@@H](Cc1ccccc1)[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1 ZINC000019369248 541854425 /nfs/dbraw/zinc/85/44/25/541854425.db2.gz ITDDGZIPHVSQPV-ROUUACIJSA-N 2 1 296.458 3.428 50 0 CGAAMP c1cc(C[NH+]2CCSCC2)sc1C[NH+]1CCCCC1 ZINC000216221543 376161699 /nfs/dbraw/zinc/16/16/99/376161699.db2.gz YUVMXITYCPHEHP-UHFFFAOYSA-N 2 1 296.505 3.283 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1ccc2ccccc21 ZINC000252482331 377629151 /nfs/dbraw/zinc/62/91/51/377629151.db2.gz DDAORQGIFUOAAK-UHFFFAOYSA-N 2 1 296.418 3.168 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1ccc2ccccc21 ZINC000252482331 377629157 /nfs/dbraw/zinc/62/91/57/377629157.db2.gz DDAORQGIFUOAAK-UHFFFAOYSA-N 2 1 296.418 3.168 50 0 CGAAMP CN(Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000002811179 618598359 /nfs/dbraw/zinc/59/83/59/618598359.db2.gz ITLZPMWDOBMQAY-UHFFFAOYSA-N 2 1 286.341 3.231 50 0 CGAAMP Cc1c[nH+]c(C)n1C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000409420911 932025271 /nfs/dbraw/zinc/02/52/71/932025271.db2.gz CALHEKKOZIKFOL-MRXNPFEDSA-N 2 1 287.382 3.161 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1sccc1C ZINC001506404891 937989537 /nfs/dbraw/zinc/98/95/37/937989537.db2.gz SCIQVYCDFPKWQW-ZDUSSCGKSA-N 2 1 277.437 3.036 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cccc(SC)c1 ZINC001506406584 937989867 /nfs/dbraw/zinc/98/98/67/937989867.db2.gz LUNBHRNYYPTWBZ-CYBMUJFWSA-N 2 1 289.448 3.346 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001506427004 937990185 /nfs/dbraw/zinc/99/01/85/937990185.db2.gz WEPHOLLZYUACGK-AWEZNQCLSA-N 2 1 296.418 3.414 50 0 CGAAMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000005275423 368561230 /nfs/dbraw/zinc/56/12/30/368561230.db2.gz HRLJEQMOQMTHFP-IIDMSEBBSA-N 2 1 290.451 3.292 50 0 CGAAMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000070074743 369778972 /nfs/dbraw/zinc/77/89/72/369778972.db2.gz GMUJXPCPLFGMDM-OLZOCXBDSA-N 2 1 274.433 3.461 50 0 CGAAMP C[N@H+](Cc1cnc(C2CCCC2)s1)CC(C)(C)C[NH3+] ZINC000097095742 370225159 /nfs/dbraw/zinc/22/51/59/370225159.db2.gz CYJVHMGVGYBJKB-UHFFFAOYSA-N 2 1 281.469 3.217 50 0 CGAAMP C[N@@H+](Cc1cnc(C2CCCC2)s1)CC(C)(C)C[NH3+] ZINC000097095742 370225166 /nfs/dbraw/zinc/22/51/66/370225166.db2.gz CYJVHMGVGYBJKB-UHFFFAOYSA-N 2 1 281.469 3.217 50 0 CGAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000102232165 370300450 /nfs/dbraw/zinc/30/04/50/370300450.db2.gz HCWQITYPVNVONV-DZFIZOCASA-N 2 1 295.430 3.007 50 0 CGAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000102232165 370300456 /nfs/dbraw/zinc/30/04/56/370300456.db2.gz HCWQITYPVNVONV-DZFIZOCASA-N 2 1 295.430 3.007 50 0 CGAAMP CC(C)=CC[NH+]1CCC([NH2+]C/C=C/c2ccco2)CC1 ZINC000195546947 376111371 /nfs/dbraw/zinc/11/13/71/376111371.db2.gz PAHJCHIDKKNJDU-HWKANZROSA-N 2 1 274.408 3.313 50 0 CGAAMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000253370875 377686713 /nfs/dbraw/zinc/68/67/13/377686713.db2.gz XLQWRAZBFROFPJ-IIDMSEBBSA-N 2 1 289.467 3.197 50 0 CGAAMP CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251738381 542347680 /nfs/dbraw/zinc/34/76/80/542347680.db2.gz SYOZACZHKPMCKL-MGLUKCQKSA-N 2 1 250.430 3.170 50 0 CGAAMP CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251738381 542347684 /nfs/dbraw/zinc/34/76/84/542347684.db2.gz SYOZACZHKPMCKL-MGLUKCQKSA-N 2 1 250.430 3.170 50 0 CGAAMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@@H+]1C[C@H](C[NH3+])C[C@H]1C)CC3 ZINC000108480989 397653145 /nfs/dbraw/zinc/65/31/45/397653145.db2.gz PTLMZEYXCKHWKI-QLFBSQMISA-N 2 1 297.446 3.003 50 0 CGAAMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCC2(C)C)C[C@H](C)O1 ZINC000221893613 288161376 /nfs/dbraw/zinc/16/13/76/288161376.db2.gz XALMIQUSRCSBKI-XHSDSOJGSA-N 2 1 282.472 3.044 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000584889717 346722190 /nfs/dbraw/zinc/72/21/90/346722190.db2.gz FUXRPDQOWHUJEV-OAHLLOKOSA-N 2 1 283.419 3.421 50 0 CGAAMP C[C@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371249 217171916 /nfs/dbraw/zinc/17/19/16/217171916.db2.gz FLWZGJUBMGLTBT-ZIAGYGMSSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371249 217171919 /nfs/dbraw/zinc/17/19/19/217171919.db2.gz FLWZGJUBMGLTBT-ZIAGYGMSSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000344371249 217171921 /nfs/dbraw/zinc/17/19/21/217171921.db2.gz FLWZGJUBMGLTBT-ZIAGYGMSSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1nccs1 ZINC000344371249 217171924 /nfs/dbraw/zinc/17/19/24/217171924.db2.gz FLWZGJUBMGLTBT-ZIAGYGMSSA-N 2 1 281.469 3.053 50 0 CGAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000215968450 376153638 /nfs/dbraw/zinc/15/36/38/376153638.db2.gz KLICZZDTSLIKOD-UHFFFAOYSA-N 2 1 277.799 3.138 50 0 CGAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000215968450 376153645 /nfs/dbraw/zinc/15/36/45/376153645.db2.gz KLICZZDTSLIKOD-UHFFFAOYSA-N 2 1 277.799 3.138 50 0 CGAAMP C[N@H+](Cc1ccc2ncccc2c1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244764084 376795612 /nfs/dbraw/zinc/79/56/12/376795612.db2.gz PBEFWYWZRBUWSX-KDYLLFBJSA-N 2 1 283.419 3.184 50 0 CGAAMP Cc1cccc(C[N@H+](C)C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000952873773 800685879 /nfs/dbraw/zinc/68/58/79/800685879.db2.gz OGYFCRVHRGLKMG-MRXNPFEDSA-N 2 1 260.425 3.159 50 0 CGAAMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067741487 369726984 /nfs/dbraw/zinc/72/69/84/369726984.db2.gz DMGPXZCXKVKODZ-FXFXYLOPSA-N 2 1 270.420 3.165 50 0 CGAAMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000095420215 370187997 /nfs/dbraw/zinc/18/79/97/370187997.db2.gz LFBQTRYLMBTDFV-HUUCEWRRSA-N 2 1 250.430 3.195 50 0 CGAAMP Cc1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)[nH]1 ZINC000216425270 376164415 /nfs/dbraw/zinc/16/44/15/376164415.db2.gz GCWUFCPSZXVWTH-KRWDZBQOSA-N 2 1 299.418 3.411 50 0 CGAAMP Cc1ncc(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)[nH]1 ZINC000216425270 376164419 /nfs/dbraw/zinc/16/44/19/376164419.db2.gz GCWUFCPSZXVWTH-KRWDZBQOSA-N 2 1 299.418 3.411 50 0 CGAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C2CCC2)C1 ZINC000245616210 376870054 /nfs/dbraw/zinc/87/00/54/376870054.db2.gz MRFJFBMVMXMZCK-HUUCEWRRSA-N 2 1 250.430 3.125 50 0 CGAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000245616210 376870066 /nfs/dbraw/zinc/87/00/66/376870066.db2.gz MRFJFBMVMXMZCK-HUUCEWRRSA-N 2 1 250.430 3.125 50 0 CGAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000245616210 376870076 /nfs/dbraw/zinc/87/00/76/376870076.db2.gz MRFJFBMVMXMZCK-HUUCEWRRSA-N 2 1 250.430 3.125 50 0 CGAAMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000252487312 377631117 /nfs/dbraw/zinc/63/11/17/377631117.db2.gz VKUNOHLYEAHMJT-VYDXJSESSA-N 2 1 273.424 3.139 50 0 CGAAMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000252487312 377631129 /nfs/dbraw/zinc/63/11/29/377631129.db2.gz VKUNOHLYEAHMJT-VYDXJSESSA-N 2 1 273.424 3.139 50 0 CGAAMP CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251738379 542347867 /nfs/dbraw/zinc/34/78/67/542347867.db2.gz SYOZACZHKPMCKL-FVPDABNVSA-N 2 1 250.430 3.170 50 0 CGAAMP CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251738379 542347870 /nfs/dbraw/zinc/34/78/70/542347870.db2.gz SYOZACZHKPMCKL-FVPDABNVSA-N 2 1 250.430 3.170 50 0 CGAAMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000094826225 397641917 /nfs/dbraw/zinc/64/19/17/397641917.db2.gz NGULXTPXNKFWCE-LBPRGKRZSA-N 2 1 268.351 3.101 50 0 CGAAMP CC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000004745616 170010151 /nfs/dbraw/zinc/01/01/51/170010151.db2.gz QZHXTSOPVCKKKL-OAHLLOKOSA-N 2 1 260.425 3.381 50 0 CGAAMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000002933158 279099974 /nfs/dbraw/zinc/09/99/74/279099974.db2.gz FTIYRWFCGLICAC-UHFFFAOYSA-N 2 1 254.805 3.162 50 0 CGAAMP C[C@@H]([NH2+]C1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557286 346273681 /nfs/dbraw/zinc/27/36/81/346273681.db2.gz NSDLRXFGHMZGKH-KGLIPLIRSA-N 2 1 282.497 3.125 50 0 CGAAMP C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557285 346273985 /nfs/dbraw/zinc/27/39/85/346273985.db2.gz NSDLRXFGHMZGKH-UONOGXRCSA-N 2 1 282.497 3.125 50 0 CGAAMP C[NH+](C)CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000057364348 369536548 /nfs/dbraw/zinc/53/65/48/369536548.db2.gz CMGSWKQGFNCIMG-UHFFFAOYSA-N 2 1 298.430 3.307 50 0 CGAAMP [NH3+]C[C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000065525639 369681361 /nfs/dbraw/zinc/68/13/61/369681361.db2.gz GQHSQXSBVIDEBG-INIZCTEOSA-N 2 1 280.415 3.099 50 0 CGAAMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000070074742 369779336 /nfs/dbraw/zinc/77/93/36/369779336.db2.gz GMUJXPCPLFGMDM-STQMWFEESA-N 2 1 274.433 3.461 50 0 CGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc2cc(O)ccc2c1 ZINC000097514174 370245764 /nfs/dbraw/zinc/24/57/64/370245764.db2.gz YNHVFCYARYXAJT-UHFFFAOYSA-N 2 1 295.386 3.182 50 0 CGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc2cc(O)ccc2c1 ZINC000097514174 370245767 /nfs/dbraw/zinc/24/57/67/370245767.db2.gz YNHVFCYARYXAJT-UHFFFAOYSA-N 2 1 295.386 3.182 50 0 CGAAMP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2n1 ZINC000187640496 375062786 /nfs/dbraw/zinc/06/27/86/375062786.db2.gz GPOZZHBTIXEKMW-INIZCTEOSA-N 2 1 295.430 3.117 50 0 CGAAMP Cc1cc(F)ccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000214965936 376144341 /nfs/dbraw/zinc/14/43/41/376144341.db2.gz AKRVGJYSEXYDJT-UHFFFAOYSA-N 2 1 276.399 3.052 50 0 CGAAMP C[C@H]1CC[N@@H+](CCCn2ccnc2)[C@@H](c2ccco2)C1 ZINC000245882292 376925416 /nfs/dbraw/zinc/92/54/16/376925416.db2.gz NUNDUXKGDUPTGV-LSDHHAIUSA-N 2 1 273.380 3.339 50 0 CGAAMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000078552923 177353591 /nfs/dbraw/zinc/35/35/91/177353591.db2.gz JENOLXCHPYDSLV-UHFFFAOYSA-N 2 1 258.365 3.021 50 0 CGAAMP C[NH+](C)CC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000823693100 800468630 /nfs/dbraw/zinc/46/86/30/800468630.db2.gz WOZWJKOPSPDJGW-MRXNPFEDSA-N 2 1 250.430 3.151 50 0 CGAAMP CSC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCC1 ZINC000824891363 800472634 /nfs/dbraw/zinc/47/26/34/800472634.db2.gz DEWDJDDJHKCSJI-CQSZACIVSA-N 2 1 270.486 3.126 50 0 CGAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577289 345790503 /nfs/dbraw/zinc/79/05/03/345790503.db2.gz WNPKZWMDHQEOKA-LBTNJELSSA-N 2 1 285.435 3.029 50 0 CGAAMP C[C@@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371246 217172530 /nfs/dbraw/zinc/17/25/30/217172530.db2.gz FLWZGJUBMGLTBT-KBPBESRZSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371246 217172532 /nfs/dbraw/zinc/17/25/32/217172532.db2.gz FLWZGJUBMGLTBT-KBPBESRZSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000344371246 217172534 /nfs/dbraw/zinc/17/25/34/217172534.db2.gz FLWZGJUBMGLTBT-KBPBESRZSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1nccs1 ZINC000344371246 217172536 /nfs/dbraw/zinc/17/25/36/217172536.db2.gz FLWZGJUBMGLTBT-KBPBESRZSA-N 2 1 281.469 3.053 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534661958 328349813 /nfs/dbraw/zinc/34/98/13/328349813.db2.gz JABZGZJDIBDKQS-OAHLLOKOSA-N 2 1 283.419 3.199 50 0 CGAAMP C[C@@H](CCc1ccccc1)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000097095595 370224657 /nfs/dbraw/zinc/22/46/57/370224657.db2.gz FKTGYAGGXRMRGY-ZLPCBKJTSA-N 2 1 274.452 3.457 50 0 CGAAMP C[C@H](Cc1ccc2ccccc2c1)[NH2+]C1CC[NH+](C)CC1 ZINC000095421504 370187726 /nfs/dbraw/zinc/18/77/26/370187726.db2.gz WKGAYTTYEGQOFR-OAHLLOKOSA-N 2 1 282.431 3.455 50 0 CGAAMP C[C@@H](Cc1ccc2ccccc2c1)[NH2+]C1CC[NH+](C)CC1 ZINC000095421503 370187856 /nfs/dbraw/zinc/18/78/56/370187856.db2.gz WKGAYTTYEGQOFR-HNNXBMFYSA-N 2 1 282.431 3.455 50 0 CGAAMP c1cc(C2CCCC2)sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000215324482 376146337 /nfs/dbraw/zinc/14/63/37/376146337.db2.gz BQNQDHMJPILCHG-OKILXGFUSA-N 2 1 276.449 3.057 50 0 CGAAMP c1cc(C2CCCC2)sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000215324482 376146341 /nfs/dbraw/zinc/14/63/41/376146341.db2.gz BQNQDHMJPILCHG-OKILXGFUSA-N 2 1 276.449 3.057 50 0 CGAAMP C1=C[C@@H]2[C@H](C[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000107082903 186159571 /nfs/dbraw/zinc/15/95/71/186159571.db2.gz OZCZQLILAHNLPT-UHOSZYNNSA-N 2 1 282.431 3.205 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCSC(C)(C)C ZINC000369208424 234361474 /nfs/dbraw/zinc/36/14/74/234361474.db2.gz XUERHMSWYKTSJN-CQSZACIVSA-N 2 1 281.469 3.188 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCSC(C)(C)C ZINC000369208424 234361477 /nfs/dbraw/zinc/36/14/77/234361477.db2.gz XUERHMSWYKTSJN-CQSZACIVSA-N 2 1 281.469 3.188 50 0 CGAAMP C([NH2+][C@@H]1CCC[N@H+](CC2CCCCC2)C1)C1CC1 ZINC000032537384 368934164 /nfs/dbraw/zinc/93/41/64/368934164.db2.gz RAJCJEZPONMBKK-MRXNPFEDSA-N 2 1 250.430 3.031 50 0 CGAAMP C([NH2+][C@@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CC1 ZINC000032537384 368934179 /nfs/dbraw/zinc/93/41/79/368934179.db2.gz RAJCJEZPONMBKK-MRXNPFEDSA-N 2 1 250.430 3.031 50 0 CGAAMP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140870 369067983 /nfs/dbraw/zinc/06/79/83/369067983.db2.gz BBRZAKQJIIXVIB-MRXNPFEDSA-N 2 1 288.460 3.440 50 0 CGAAMP Cc1ccc(N2CCC([NH2+][C@@H](C)C3CCC3)CC2)[nH+]c1 ZINC000170042364 372634681 /nfs/dbraw/zinc/63/46/81/372634681.db2.gz HTTRESRPPSGPLG-AWEZNQCLSA-N 2 1 273.424 3.137 50 0 CGAAMP C[C@H](C[NH3+])Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000299768951 373612469 /nfs/dbraw/zinc/61/24/69/373612469.db2.gz HDFIDNWXALRBGT-CYBMUJFWSA-N 2 1 290.432 3.106 50 0 CGAAMP Cc1ccc(C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)o1 ZINC000215275220 392986924 /nfs/dbraw/zinc/98/69/24/392986924.db2.gz ZKLHXCUOUURIGZ-UHFFFAOYSA-N 2 1 278.421 3.343 50 0 CGAAMP Cc1ccc(C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)o1 ZINC000215275220 392986926 /nfs/dbraw/zinc/98/69/26/392986926.db2.gz ZKLHXCUOUURIGZ-UHFFFAOYSA-N 2 1 278.421 3.343 50 0 CGAAMP CN1C[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000670452029 543155109 /nfs/dbraw/zinc/15/51/09/543155109.db2.gz OJNLNQLONAUOGW-WMZOPIPTSA-N 2 1 295.430 3.151 50 0 CGAAMP C[N@@H+]1C[C@@H]2CCC[C@H]1CN(Cc1ccc3ncccc3c1)C2 ZINC000670452029 543155111 /nfs/dbraw/zinc/15/51/11/543155111.db2.gz OJNLNQLONAUOGW-WMZOPIPTSA-N 2 1 295.430 3.151 50 0 CGAAMP c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004949604 170044590 /nfs/dbraw/zinc/04/45/90/170044590.db2.gz ZZWIYXVNVZCOSL-UHFFFAOYSA-N 2 1 280.415 3.441 50 0 CGAAMP C1CCC(NC2=[NH+]CCC[NH2+]C23CCCCC3)CC1 ZINC000045913591 175386091 /nfs/dbraw/zinc/38/60/91/175386091.db2.gz GPRMUPOYYIACLR-UHFFFAOYSA-N 2 1 263.429 3.003 50 0 biogenic CGAAMP CC(C)([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000685939749 544109866 /nfs/dbraw/zinc/10/98/66/544109866.db2.gz DBFQUFURENGEJA-CVEARBPZSA-N 2 1 276.399 3.277 50 0 CGAAMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000095974229 185050374 /nfs/dbraw/zinc/05/03/74/185050374.db2.gz VKUNOHLYEAHMJT-INMHGKMJSA-N 2 1 273.424 3.139 50 0 CGAAMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000095974229 185050375 /nfs/dbraw/zinc/05/03/75/185050375.db2.gz VKUNOHLYEAHMJT-INMHGKMJSA-N 2 1 273.424 3.139 50 0 CGAAMP C[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683498 344859681 /nfs/dbraw/zinc/85/96/81/344859681.db2.gz GALMFCIMTCNSMV-KRWDZBQOSA-N 2 1 286.463 3.425 50 0 CGAAMP C[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683498 344859683 /nfs/dbraw/zinc/85/96/83/344859683.db2.gz GALMFCIMTCNSMV-KRWDZBQOSA-N 2 1 286.463 3.425 50 0 CGAAMP Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)cc(C)[nH+]1 ZINC000072426035 369819200 /nfs/dbraw/zinc/81/92/00/369819200.db2.gz KKWUEDNCDCHCQC-UHFFFAOYSA-N 2 1 287.432 3.082 50 0 CGAAMP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000097102378 370224768 /nfs/dbraw/zinc/22/47/68/370224768.db2.gz BLFFERVBNQMSHI-UHFFFAOYSA-N 2 1 292.471 3.106 50 0 CGAAMP c1ccc(CNCC[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000226145246 376340988 /nfs/dbraw/zinc/34/09/88/376340988.db2.gz ADKLAILQTBHSBI-QZTJIDSGSA-N 2 1 272.436 3.431 50 0 CGAAMP c1ccc(C[NH2+]CCN2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000226145246 376341004 /nfs/dbraw/zinc/34/10/04/376341004.db2.gz ADKLAILQTBHSBI-QZTJIDSGSA-N 2 1 272.436 3.431 50 0 CGAAMP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000226145246 376341014 /nfs/dbraw/zinc/34/10/14/376341014.db2.gz ADKLAILQTBHSBI-QZTJIDSGSA-N 2 1 272.436 3.431 50 0 CGAAMP c1ccc(C[NH2+]CC[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000226145246 376341027 /nfs/dbraw/zinc/34/10/27/376341027.db2.gz ADKLAILQTBHSBI-QZTJIDSGSA-N 2 1 272.436 3.431 50 0 CGAAMP c1ccn2c(c1)[nH+]c(C1CC[NH2+]CC1)c2NC1CCCC1 ZINC000045795887 175383954 /nfs/dbraw/zinc/38/39/54/175383954.db2.gz JVUPMOMISZPPSD-UHFFFAOYSA-N 2 1 284.407 3.156 50 0 CGAAMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000072162856 275391765 /nfs/dbraw/zinc/39/17/65/275391765.db2.gz WUZDDAOJZUSTTO-INIZCTEOSA-N 2 1 250.430 3.032 50 0 CGAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC000534587189 328315845 /nfs/dbraw/zinc/31/58/45/328315845.db2.gz LIDJUGDKJQZRBC-AWEZNQCLSA-N 2 1 269.392 3.167 50 0 CGAAMP Cc1nc(C)c(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)s1 ZINC000534654485 328339186 /nfs/dbraw/zinc/33/91/86/328339186.db2.gz HBAMLHBBNYSPJR-UHFFFAOYSA-N 2 1 293.480 3.116 50 0 CGAAMP CSC(C)(C)C[C@@H](C)[NH2+]CCn1c[nH+]c(C)c1C ZINC000824870975 800472867 /nfs/dbraw/zinc/47/28/67/800472867.db2.gz FHDLMESWUCIFFU-LLVKDONJSA-N 2 1 269.458 3.010 50 0 CGAAMP COCCC[C@H]1CCCC[N@H+]1CC1CC[NH+](C(C)C)CC1 ZINC000952869751 800686158 /nfs/dbraw/zinc/68/61/58/800686158.db2.gz NZXOYHYYMZHZFN-GOSISDBHSA-N 2 1 296.499 3.388 50 0 CGAAMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013804034 368667921 /nfs/dbraw/zinc/66/79/21/368667921.db2.gz HRLJEQMOQMTHFP-HDMKZQKVSA-N 2 1 290.451 3.292 50 0 CGAAMP Cc1[nH+]ccn1CCC[NH2+]CC[C@@H](C)CCCC(C)(C)O ZINC000032547883 368936221 /nfs/dbraw/zinc/93/62/21/368936221.db2.gz SAFBJMPFHZSTAL-HNNXBMFYSA-N 2 1 295.471 3.139 50 0 CGAAMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000066354432 369692742 /nfs/dbraw/zinc/69/27/42/369692742.db2.gz LGSNQVMIVAHETM-ROUUACIJSA-N 2 1 266.388 3.003 50 0 CGAAMP C[C@H]1C[C@H]([NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC000097212699 370234413 /nfs/dbraw/zinc/23/44/13/370234413.db2.gz IPJUXIPMIIAGAA-GOEBONIOSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@H]1C[C@H]([NH+](C)CCC2CCCCC2)CC[N@H+]1C ZINC000097212699 370234416 /nfs/dbraw/zinc/23/44/16/370234416.db2.gz IPJUXIPMIIAGAA-GOEBONIOSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@H]1C[C@H]([N@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212699 370234421 /nfs/dbraw/zinc/23/44/21/370234421.db2.gz IPJUXIPMIIAGAA-GOEBONIOSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@H]1C[C@H]([N@@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212699 370234424 /nfs/dbraw/zinc/23/44/24/370234424.db2.gz IPJUXIPMIIAGAA-GOEBONIOSA-N 2 1 252.446 3.371 50 0 CGAAMP Cc1nccn1CC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000215618549 376149544 /nfs/dbraw/zinc/14/95/44/376149544.db2.gz OZKZHFAHRJMAFS-UHFFFAOYSA-N 2 1 281.762 3.116 50 0 CGAAMP CSCC[N@@H+](C)Cc1cccc([C@@H](C)[NH+](C)C)c1 ZINC000215734061 376150478 /nfs/dbraw/zinc/15/04/78/376150478.db2.gz ATGDWWQVAGOCFV-CYBMUJFWSA-N 2 1 266.454 3.104 50 0 CGAAMP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C)C3)s1 ZINC000216337101 376162779 /nfs/dbraw/zinc/16/27/79/376162779.db2.gz OUBIMNRNAKMCKY-LSDHHAIUSA-N 2 1 292.492 3.473 50 0 CGAAMP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C)C3)s1 ZINC000216337101 376162791 /nfs/dbraw/zinc/16/27/91/376162791.db2.gz OUBIMNRNAKMCKY-LSDHHAIUSA-N 2 1 292.492 3.473 50 0 CGAAMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000097165816 392261747 /nfs/dbraw/zinc/26/17/47/392261747.db2.gz RWNYUDJENYOZHB-RHSMWYFYSA-N 2 1 260.425 3.164 50 0 CGAAMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038264671 174138201 /nfs/dbraw/zinc/13/82/01/174138201.db2.gz LGSNQVMIVAHETM-MSOLQXFVSA-N 2 1 266.388 3.003 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072129224 176321110 /nfs/dbraw/zinc/32/11/10/176321110.db2.gz SOAYQLRGXFRBSZ-KRWDZBQOSA-N 2 1 284.407 3.204 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000072129224 176321112 /nfs/dbraw/zinc/32/11/12/176321112.db2.gz SOAYQLRGXFRBSZ-KRWDZBQOSA-N 2 1 284.407 3.204 50 0 CGAAMP C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000245339025 278365303 /nfs/dbraw/zinc/36/53/03/278365303.db2.gz PZUJCWBWZXOFPA-PMPSAXMXSA-N 2 1 287.451 3.385 50 0 CGAAMP C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000245339025 278365305 /nfs/dbraw/zinc/36/53/05/278365305.db2.gz PZUJCWBWZXOFPA-PMPSAXMXSA-N 2 1 287.451 3.385 50 0 CGAAMP CCC[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC000000280153 640921079 /nfs/dbraw/zinc/92/10/79/640921079.db2.gz DDBSRZMHLJZCMJ-UHFFFAOYSA-N 2 1 260.425 3.383 50 0 CGAAMP CCC[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC000000280153 640921087 /nfs/dbraw/zinc/92/10/87/640921087.db2.gz DDBSRZMHLJZCMJ-UHFFFAOYSA-N 2 1 260.425 3.383 50 0 CGAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000086279324 179262706 /nfs/dbraw/zinc/26/27/06/179262706.db2.gz ZRMAPVGTFLDUOE-CQSZACIVSA-N 2 1 294.402 3.370 50 0 CGAAMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000108113602 186204918 /nfs/dbraw/zinc/20/49/18/186204918.db2.gz ZHOKRGZKGNAMBJ-CABCVRRESA-N 2 1 276.424 3.078 50 0 CGAAMP Cc1ccc(CNC2=[NH+]CCC[NH2+][C@@]23CCC[C@@H](C)C3)cc1 ZINC000064459871 369652935 /nfs/dbraw/zinc/65/29/35/369652935.db2.gz FRWYTSJFCDSONF-VQIMIIECSA-N 2 1 299.462 3.425 50 0 biogenic CGAAMP C[N@@H+](CCC[C@H]1CCCO1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067740727 369727192 /nfs/dbraw/zinc/72/71/92/369727192.db2.gz YMJIBEVNIBLISS-KRWDZBQOSA-N 2 1 294.483 3.190 50 0 CGAAMP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000241447034 376778597 /nfs/dbraw/zinc/77/85/97/376778597.db2.gz NQRKRMQCMMKSOK-ILRDRHFLSA-N 2 1 284.447 3.253 50 0 CGAAMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2cnccc21 ZINC000215519049 392987505 /nfs/dbraw/zinc/98/75/05/392987505.db2.gz WTOCGPZZMXMERJ-UHFFFAOYSA-N 2 1 285.435 3.254 50 0 CGAAMP Cc1[nH+]ccn1CC1CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC000215429130 392987782 /nfs/dbraw/zinc/98/77/82/392987782.db2.gz IGNNBHMICWCGEL-LLVKDONJSA-N 2 1 289.345 3.102 50 0 CGAAMP CC[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000670460388 543156384 /nfs/dbraw/zinc/15/63/84/543156384.db2.gz XIGLMULSBNBOSR-MRXNPFEDSA-N 2 1 290.451 3.249 50 0 CGAAMP Cc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000004745767 170010115 /nfs/dbraw/zinc/01/01/15/170010115.db2.gz VQCNGXUFCWWOBW-UHFFFAOYSA-N 2 1 258.409 3.055 50 0 CGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000077453085 177270181 /nfs/dbraw/zinc/27/01/81/177270181.db2.gz GUSHDGIGDWDXQM-KRWDZBQOSA-N 2 1 284.407 3.031 50 0 CGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000077453085 177270183 /nfs/dbraw/zinc/27/01/83/177270183.db2.gz GUSHDGIGDWDXQM-KRWDZBQOSA-N 2 1 284.407 3.031 50 0 CGAAMP CC(C)([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000685939750 544109984 /nfs/dbraw/zinc/10/99/84/544109984.db2.gz DBFQUFURENGEJA-HOTGVXAUSA-N 2 1 276.399 3.277 50 0 CGAAMP C[C@H](CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000279312 640921686 /nfs/dbraw/zinc/92/16/86/640921686.db2.gz QYRAWYYKHBSOFG-OAHLLOKOSA-N 2 1 260.425 3.206 50 0 CGAAMP C[C@H](CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000279312 640921691 /nfs/dbraw/zinc/92/16/91/640921691.db2.gz QYRAWYYKHBSOFG-OAHLLOKOSA-N 2 1 260.425 3.206 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001506427010 937990183 /nfs/dbraw/zinc/99/01/83/937990183.db2.gz WEPHOLLZYUACGK-CQSZACIVSA-N 2 1 296.418 3.414 50 0 CGAAMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000124688181 187148589 /nfs/dbraw/zinc/14/85/89/187148589.db2.gz NWZDVLVKYVDHMA-OAHLLOKOSA-N 2 1 266.816 3.256 50 0 CGAAMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000124688181 187148590 /nfs/dbraw/zinc/14/85/90/187148590.db2.gz NWZDVLVKYVDHMA-OAHLLOKOSA-N 2 1 266.816 3.256 50 0 CGAAMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000124688181 187148591 /nfs/dbraw/zinc/14/85/91/187148591.db2.gz NWZDVLVKYVDHMA-OAHLLOKOSA-N 2 1 266.816 3.256 50 0 CGAAMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000124688181 187148592 /nfs/dbraw/zinc/14/85/92/187148592.db2.gz NWZDVLVKYVDHMA-OAHLLOKOSA-N 2 1 266.816 3.256 50 0 CGAAMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000108113599 186205696 /nfs/dbraw/zinc/20/56/96/186205696.db2.gz ZHOKRGZKGNAMBJ-HUUCEWRRSA-N 2 1 276.424 3.078 50 0 CGAAMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000000757224 368393545 /nfs/dbraw/zinc/39/35/45/368393545.db2.gz CKHJWDYYBWJWKB-CYBMUJFWSA-N 2 1 264.388 3.351 50 0 CGAAMP C[N@@H+](CCC[C@@H]1CCCO1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067740725 369727340 /nfs/dbraw/zinc/72/73/40/369727340.db2.gz YMJIBEVNIBLISS-QGZVFWFLSA-N 2 1 294.483 3.190 50 0 CGAAMP Cc1ccc(SCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000299794606 373613679 /nfs/dbraw/zinc/61/36/79/373613679.db2.gz LOUOYFAXLZIBMS-INIZCTEOSA-N 2 1 292.492 3.361 50 0 CGAAMP Cc1ccc(SCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000299794606 373613685 /nfs/dbraw/zinc/61/36/85/373613685.db2.gz LOUOYFAXLZIBMS-INIZCTEOSA-N 2 1 292.492 3.361 50 0 CGAAMP Cc1ccc(SCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000299794606 373613694 /nfs/dbraw/zinc/61/36/94/373613694.db2.gz LOUOYFAXLZIBMS-INIZCTEOSA-N 2 1 292.492 3.361 50 0 CGAAMP C[C@H]1CCC[N@@H+](CCOc2ccc(C[NH+]3CCC3)cc2)C1 ZINC000216030760 376157430 /nfs/dbraw/zinc/15/74/30/376157430.db2.gz VHAODIMRYGFRAC-INIZCTEOSA-N 2 1 288.435 3.003 50 0 CGAAMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000090035196 392228816 /nfs/dbraw/zinc/22/88/16/392228816.db2.gz ZCHZLFSSQHGSOY-LRDDRELGSA-N 2 1 296.842 3.100 50 0 CGAAMP CC(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000071839172 176274977 /nfs/dbraw/zinc/27/49/77/176274977.db2.gz KKQCVWRZXUWZGP-UHFFFAOYSA-N 2 1 298.434 3.039 50 0 CGAAMP C[NH+](C)CC[C@H]1CCCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072407460 176397861 /nfs/dbraw/zinc/39/78/61/176397861.db2.gz COEDSZUIQLVTSA-QGZVFWFLSA-N 2 1 285.435 3.474 50 0 CGAAMP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000001803508 276098049 /nfs/dbraw/zinc/09/80/49/276098049.db2.gz BAMFXXYOYNDFRL-AWEZNQCLSA-N 2 1 288.439 3.496 50 0 CGAAMP C[C@H](C[N@H+](C)CCCc1[nH+]ccn1C)c1ccccc1 ZINC000216059789 376156350 /nfs/dbraw/zinc/15/63/50/376156350.db2.gz HLHSMTGODBOYFT-OAHLLOKOSA-N 2 1 271.408 3.088 50 0 CGAAMP C[C@H](C[N@@H+](C)CCCc1[nH+]ccn1C)c1ccccc1 ZINC000216059789 376156359 /nfs/dbraw/zinc/15/63/59/376156359.db2.gz HLHSMTGODBOYFT-OAHLLOKOSA-N 2 1 271.408 3.088 50 0 CGAAMP CCc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)nc1 ZINC000670459026 543156435 /nfs/dbraw/zinc/15/64/35/543156435.db2.gz FBVPBCCYMCERSJ-QGZVFWFLSA-N 2 1 298.434 3.061 50 0 CGAAMP CCc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)nc1 ZINC000670459026 543156437 /nfs/dbraw/zinc/15/64/37/543156437.db2.gz FBVPBCCYMCERSJ-QGZVFWFLSA-N 2 1 298.434 3.061 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC000534587190 328315852 /nfs/dbraw/zinc/31/58/52/328315852.db2.gz LIDJUGDKJQZRBC-CQSZACIVSA-N 2 1 269.392 3.167 50 0 CGAAMP c1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000000182009 368310303 /nfs/dbraw/zinc/31/03/03/368310303.db2.gz NMQVXTRNGHHKBR-UHFFFAOYSA-N 2 1 258.409 3.183 50 0 CGAAMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000005276254 368561169 /nfs/dbraw/zinc/56/11/69/368561169.db2.gz HRLJEQMOQMTHFP-RVKKMQEKSA-N 2 1 290.451 3.292 50 0 CGAAMP C[NH+](C)CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000057214522 369532351 /nfs/dbraw/zinc/53/23/51/369532351.db2.gz FIGFDBVBDYLQFP-UHFFFAOYSA-N 2 1 261.196 3.035 50 0 CGAAMP Cn1c(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)cc2ccccc21 ZINC000072418045 369819508 /nfs/dbraw/zinc/81/95/08/369819508.db2.gz LPFIXPOWIMVOSC-KRWDZBQOSA-N 2 1 299.462 3.485 50 0 CGAAMP Cn1c(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)cc2ccccc21 ZINC000072418045 369819510 /nfs/dbraw/zinc/81/95/10/369819510.db2.gz LPFIXPOWIMVOSC-KRWDZBQOSA-N 2 1 299.462 3.485 50 0 CGAAMP c1ccc([C@H]2[N@@H+](C3CC[NH2+]CC3)CC23CCCC3)cc1 ZINC000169676559 372629358 /nfs/dbraw/zinc/62/93/58/372629358.db2.gz TVAFVKHEDLYFOS-QGZVFWFLSA-N 2 1 270.420 3.356 50 0 CGAAMP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000241447036 376778804 /nfs/dbraw/zinc/77/88/04/376778804.db2.gz NQRKRMQCMMKSOK-QGWWYQLQSA-N 2 1 284.447 3.253 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250869444 377567548 /nfs/dbraw/zinc/56/75/48/377567548.db2.gz YILNUZLPDPPEAS-IPYPFGDCSA-N 2 1 274.433 3.050 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250869444 377567554 /nfs/dbraw/zinc/56/75/54/377567554.db2.gz YILNUZLPDPPEAS-IPYPFGDCSA-N 2 1 274.433 3.050 50 0 CGAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000004745769 170010071 /nfs/dbraw/zinc/01/00/71/170010071.db2.gz LFPGJWLDVBLIHP-UHFFFAOYSA-N 2 1 258.409 3.055 50 0 CGAAMP c1[nH]c2ccccc2c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000004745752 170010201 /nfs/dbraw/zinc/01/02/01/170010201.db2.gz NPVSKBTWLHRKJH-UHFFFAOYSA-N 2 1 283.419 3.228 50 0 CGAAMP CCc1nc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cs1 ZINC000047978549 175417354 /nfs/dbraw/zinc/41/73/54/175417354.db2.gz JMYJEIJWPDNGDP-UHFFFAOYSA-N 2 1 295.496 3.259 50 0 CGAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534584222 328311838 /nfs/dbraw/zinc/31/18/38/328311838.db2.gz JHKDEXZVNAGUGM-HNNXBMFYSA-N 2 1 283.419 3.253 50 0 CGAAMP C[N@H+]1CCCC2(CC[NH+](CC3(C)CCOCC3)CC2)CC1 ZINC000823777485 800468996 /nfs/dbraw/zinc/46/89/96/800468996.db2.gz BFVGIEKSUQENJA-UHFFFAOYSA-N 2 1 294.483 3.001 50 0 CGAAMP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]c2ccccc2n1C ZINC000001803506 368439177 /nfs/dbraw/zinc/43/91/77/368439177.db2.gz BAMFXXYOYNDFRL-CQSZACIVSA-N 2 1 288.439 3.496 50 0 CGAAMP CCC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000035054413 368994875 /nfs/dbraw/zinc/99/48/75/368994875.db2.gz RGSLDNZQXIXCOF-UHFFFAOYSA-N 2 1 250.430 3.172 50 0 CGAAMP C[N@@H+](CCCNC(=[NH2+])Nc1ccccc1)C1CCCCC1 ZINC000052047566 369462794 /nfs/dbraw/zinc/46/27/94/369462794.db2.gz QCTBOHYOIZXUFV-UHFFFAOYSA-N 2 1 288.439 3.277 50 0 CGAAMP Clc1ccc(C[N@H+]2CC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071762174 369809423 /nfs/dbraw/zinc/80/94/23/369809423.db2.gz ZFSMTOLZEIAVKI-HNNXBMFYSA-N 2 1 278.827 3.162 50 0 CGAAMP CCc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139215 370230713 /nfs/dbraw/zinc/23/07/13/370230713.db2.gz JPZUCNJLNATABP-AWEZNQCLSA-N 2 1 287.407 3.030 50 0 CGAAMP CCc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139215 370230721 /nfs/dbraw/zinc/23/07/21/370230721.db2.gz JPZUCNJLNATABP-AWEZNQCLSA-N 2 1 287.407 3.030 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000192740296 375785064 /nfs/dbraw/zinc/78/50/64/375785064.db2.gz SWXLIANDUVVVFA-OAHLLOKOSA-N 2 1 292.386 3.409 50 0 CGAAMP C[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])Cc2ccco2)[C@H]1C ZINC000242750559 376783033 /nfs/dbraw/zinc/78/30/33/376783033.db2.gz ZSXDGBYADISEHJ-YCPHGPKFSA-N 2 1 264.413 3.255 50 0 CGAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cccnc2)C1 ZINC000071857568 392191690 /nfs/dbraw/zinc/19/16/90/392191690.db2.gz LREUFWQPTRHVSA-QAPCUYQASA-N 2 1 281.403 3.007 50 0 CGAAMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101417992 392270269 /nfs/dbraw/zinc/27/02/69/392270269.db2.gz CDEKEQYZEKYEAI-DGCLKSJQSA-N 2 1 272.314 3.047 50 0 CGAAMP Cc1c[nH+]c(C)n1C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000409420910 932026112 /nfs/dbraw/zinc/02/61/12/932026112.db2.gz CALHEKKOZIKFOL-INIZCTEOSA-N 2 1 287.382 3.161 50 0 CGAAMP C[C@H](C[NH+]1CCCCCC1)[NH2+]CCCc1ccccc1 ZINC001506420162 937990088 /nfs/dbraw/zinc/99/00/88/937990088.db2.gz WNPOZNRNQJTDAX-QGZVFWFLSA-N 2 1 274.452 3.473 50 0 CGAAMP COc1ccc([C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000095986770 185056222 /nfs/dbraw/zinc/05/62/22/185056222.db2.gz MPIPCQLTAVKIJU-BFYDXBDKSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000095986770 185056223 /nfs/dbraw/zinc/05/62/23/185056223.db2.gz MPIPCQLTAVKIJU-BFYDXBDKSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000095986770 185056224 /nfs/dbraw/zinc/05/62/24/185056224.db2.gz MPIPCQLTAVKIJU-BFYDXBDKSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000095986770 185056225 /nfs/dbraw/zinc/05/62/25/185056225.db2.gz MPIPCQLTAVKIJU-BFYDXBDKSA-N 2 1 290.451 3.213 50 0 CGAAMP CCC[NH+]1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC000000757091 368393389 /nfs/dbraw/zinc/39/33/89/368393389.db2.gz CEHNLXLMRIEOTM-UHFFFAOYSA-N 2 1 260.425 3.035 50 0 CGAAMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000000757223 368393801 /nfs/dbraw/zinc/39/38/01/368393801.db2.gz CKHJWDYYBWJWKB-ZDUSSCGKSA-N 2 1 264.388 3.351 50 0 CGAAMP c1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000032511598 368933991 /nfs/dbraw/zinc/93/39/91/368933991.db2.gz MSOIMAROVVKBGP-IBGZPJMESA-N 2 1 286.463 3.427 50 0 CGAAMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000067755877 369727031 /nfs/dbraw/zinc/72/70/31/369727031.db2.gz DEEWKVNZTUDXLR-NSHDSACASA-N 2 1 270.779 3.040 50 0 CGAAMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC000097212700 370233759 /nfs/dbraw/zinc/23/37/59/370233759.db2.gz IPJUXIPMIIAGAA-ZBFHGGJFSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCCCC2)CC[N@H+]1C ZINC000097212700 370233763 /nfs/dbraw/zinc/23/37/63/370233763.db2.gz IPJUXIPMIIAGAA-ZBFHGGJFSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@@H]1C[C@@H]([N@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212700 370233768 /nfs/dbraw/zinc/23/37/68/370233768.db2.gz IPJUXIPMIIAGAA-ZBFHGGJFSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212700 370233770 /nfs/dbraw/zinc/23/37/70/370233770.db2.gz IPJUXIPMIIAGAA-ZBFHGGJFSA-N 2 1 252.446 3.371 50 0 CGAAMP CCC[C@H](C)[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192850481 375794497 /nfs/dbraw/zinc/79/44/97/375794497.db2.gz RTGXLNOPCGDEMK-DZGCQCFKSA-N 2 1 295.496 3.394 50 0 CGAAMP C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])Cc2ccco2)C[C@H]1C ZINC000239415308 376773589 /nfs/dbraw/zinc/77/35/89/376773589.db2.gz UDTRLIVLFCHUOX-RBSFLKMASA-N 2 1 264.413 3.255 50 0 CGAAMP CC[NH+](CC)CCC[NH2+]Cc1cccc(Br)c1 ZINC000002933151 169845339 /nfs/dbraw/zinc/84/53/39/169845339.db2.gz HVZXMOJDBRLNDC-UHFFFAOYSA-N 2 1 299.256 3.271 50 0 CGAAMP CS[C@H](C)CC[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000072162652 176330100 /nfs/dbraw/zinc/33/01/00/176330100.db2.gz ABNHGDZPHWRDBP-OAHLLOKOSA-N 2 1 293.480 3.044 50 0 CGAAMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccnc3ccccc23)CC1 ZINC000020272167 260117171 /nfs/dbraw/zinc/11/71/71/260117171.db2.gz OARBPOFCFGYXDI-UHFFFAOYSA-N 2 1 297.446 3.399 50 0 CGAAMP C[NH+](C)CCNc1cc(-c2cccnc2)[nH+]c2ccccc12 ZINC000000218019 368319362 /nfs/dbraw/zinc/31/93/62/368319362.db2.gz ICNKLVARUWKVTN-UHFFFAOYSA-N 2 1 292.386 3.270 50 0 CGAAMP Cc1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC000067817556 369730508 /nfs/dbraw/zinc/73/05/08/369730508.db2.gz DDSVOMBKJPQESJ-UHFFFAOYSA-N 2 1 296.817 3.363 50 0 CGAAMP C[C@@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371248 217171675 /nfs/dbraw/zinc/17/16/75/217171675.db2.gz FLWZGJUBMGLTBT-UONOGXRCSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371248 217171676 /nfs/dbraw/zinc/17/16/76/217171676.db2.gz FLWZGJUBMGLTBT-UONOGXRCSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000344371248 217171678 /nfs/dbraw/zinc/17/16/78/217171678.db2.gz FLWZGJUBMGLTBT-UONOGXRCSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1nccs1 ZINC000344371248 217171680 /nfs/dbraw/zinc/17/16/80/217171680.db2.gz FLWZGJUBMGLTBT-UONOGXRCSA-N 2 1 281.469 3.053 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1(Cc2ccccc2C)CC1 ZINC000534590107 328317915 /nfs/dbraw/zinc/31/79/15/328317915.db2.gz OSLUQMWRTLHQHY-OAHLLOKOSA-N 2 1 283.419 3.253 50 0 CGAAMP CC[C@H](Cc1ccco1)[NH2+]CCCNc1ccc(C)c[nH+]1 ZINC000822620667 800462469 /nfs/dbraw/zinc/46/24/69/800462469.db2.gz DOXXRBOBLDYQPF-OAHLLOKOSA-N 2 1 287.407 3.396 50 0 CGAAMP Nc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000039381935 369151020 /nfs/dbraw/zinc/15/10/20/369151020.db2.gz LKCLUVMTZWCXTC-UHFFFAOYSA-N 2 1 295.430 3.023 50 0 CGAAMP C[N@H+](Cc1cccnc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000065456005 369677952 /nfs/dbraw/zinc/67/79/52/369677952.db2.gz TYJKANNNBKILEM-UHFFFAOYSA-N 2 1 295.430 3.309 50 0 CGAAMP C[N@@H+](Cc1cccnc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000065456005 369677958 /nfs/dbraw/zinc/67/79/58/369677958.db2.gz TYJKANNNBKILEM-UHFFFAOYSA-N 2 1 295.430 3.309 50 0 CGAAMP C[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000090956512 541964956 /nfs/dbraw/zinc/96/49/56/541964956.db2.gz WZBRWQSXKDGZKT-UHFFFAOYSA-N 2 1 296.817 3.195 50 0 CGAAMP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000226995847 376377675 /nfs/dbraw/zinc/37/76/75/376377675.db2.gz ADKLAILQTBHSBI-ZWKOTPCHSA-N 2 1 272.436 3.431 50 0 CGAAMP c1ccc(C[NH2+]CC[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000226995847 376377680 /nfs/dbraw/zinc/37/76/80/376377680.db2.gz ADKLAILQTBHSBI-ZWKOTPCHSA-N 2 1 272.436 3.431 50 0 CGAAMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000240551621 376776392 /nfs/dbraw/zinc/77/63/92/376776392.db2.gz GUYBGSUMBRUEQS-GDBMZVCRSA-N 2 1 276.424 3.177 50 0 CGAAMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000252487314 377630479 /nfs/dbraw/zinc/63/04/79/377630479.db2.gz VKUNOHLYEAHMJT-ZOBUZTSGSA-N 2 1 273.424 3.139 50 0 CGAAMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000252487314 377630486 /nfs/dbraw/zinc/63/04/86/377630486.db2.gz VKUNOHLYEAHMJT-ZOBUZTSGSA-N 2 1 273.424 3.139 50 0 CGAAMP COCC[N@@H+](C)CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000097287861 392262139 /nfs/dbraw/zinc/26/21/39/392262139.db2.gz IXJQYRWJLVCZKD-UHFFFAOYSA-N 2 1 284.488 3.149 50 0 CGAAMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942976 170043546 /nfs/dbraw/zinc/04/35/46/170043546.db2.gz XDUBSWOVTNZHSC-UHFFFAOYSA-N 2 1 296.773 3.438 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCSC(C)(C)C ZINC000369208423 534779180 /nfs/dbraw/zinc/77/91/80/534779180.db2.gz XUERHMSWYKTSJN-AWEZNQCLSA-N 2 1 281.469 3.188 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCSC(C)(C)C ZINC000369208423 534779188 /nfs/dbraw/zinc/77/91/88/534779188.db2.gz XUERHMSWYKTSJN-AWEZNQCLSA-N 2 1 281.469 3.188 50 0 CGAAMP Cc1ccc(NCCC[NH2+][C@@H](C)C2CCCC2)[nH+]c1 ZINC000820735750 800454993 /nfs/dbraw/zinc/45/49/93/800454993.db2.gz KXVRHQABXOXPBJ-AWEZNQCLSA-N 2 1 261.413 3.360 50 0 CGAAMP Cc1ccc(CC2([NH2+][C@H](C)C[N@H+](C)C(C)C)CC2)cc1 ZINC001506410021 937989840 /nfs/dbraw/zinc/98/98/40/937989840.db2.gz QPUFPUDZSKJFIA-MRXNPFEDSA-N 2 1 274.452 3.388 50 0 CGAAMP Cc1ccc(CC2([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001506410021 937989841 /nfs/dbraw/zinc/98/98/41/937989841.db2.gz QPUFPUDZSKJFIA-MRXNPFEDSA-N 2 1 274.452 3.388 50 0 CGAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000584890301 346722480 /nfs/dbraw/zinc/72/24/80/346722480.db2.gz USRGXHGIJVFJKB-HNNXBMFYSA-N 2 1 287.432 3.166 50 0 CGAAMP c1ccc(CC[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000002555576 368463577 /nfs/dbraw/zinc/46/35/77/368463577.db2.gz XCFSNXPXHZDVEC-UHFFFAOYSA-N 2 1 294.442 3.483 50 0 CGAAMP Cc1[nH+]ccn1CCC[NH2+]CC[C@H](C)CCCC(C)(C)O ZINC000032547884 368935738 /nfs/dbraw/zinc/93/57/38/368935738.db2.gz SAFBJMPFHZSTAL-OAHLLOKOSA-N 2 1 295.471 3.139 50 0 CGAAMP C[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])Cc2ccco2)[C@@H]1C ZINC000032919843 368952397 /nfs/dbraw/zinc/95/23/97/368952397.db2.gz ZSXDGBYADISEHJ-FMKPAKJESA-N 2 1 264.413 3.255 50 0 CGAAMP CCc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139213 370230457 /nfs/dbraw/zinc/23/04/57/370230457.db2.gz JPZUCNJLNATABP-CQSZACIVSA-N 2 1 287.407 3.030 50 0 CGAAMP CCc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139213 370230465 /nfs/dbraw/zinc/23/04/65/370230465.db2.gz JPZUCNJLNATABP-CQSZACIVSA-N 2 1 287.407 3.030 50 0 CGAAMP CC(C)[N@H+]1CC[C@H](C[NH+](C)CCSc2ccccc2)C1 ZINC000299794160 373614113 /nfs/dbraw/zinc/61/41/13/373614113.db2.gz IZRPOXGMGSUIKF-MRXNPFEDSA-N 2 1 292.492 3.441 50 0 CGAAMP CC(C)[NH+]1CC[C@H](C[N@H+](C)CCSc2ccccc2)C1 ZINC000299794160 373614119 /nfs/dbraw/zinc/61/41/19/373614119.db2.gz IZRPOXGMGSUIKF-MRXNPFEDSA-N 2 1 292.492 3.441 50 0 CGAAMP CC(C)[NH+]1CC[C@H](C[N@@H+](C)CCSc2ccccc2)C1 ZINC000299794160 373614128 /nfs/dbraw/zinc/61/41/28/373614128.db2.gz IZRPOXGMGSUIKF-MRXNPFEDSA-N 2 1 292.492 3.441 50 0 CGAAMP CCC[C@@H](C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192850564 375794079 /nfs/dbraw/zinc/79/40/79/375794079.db2.gz BAXJMRPVHJTNQD-NVXWUHKLSA-N 2 1 275.440 3.024 50 0 CGAAMP CSc1ccccc1C[N@H+](C)CCn1cc[nH+]c1C ZINC000216283009 376161002 /nfs/dbraw/zinc/16/10/02/376161002.db2.gz NRIBLGUECBOPQE-UHFFFAOYSA-N 2 1 275.421 3.045 50 0 CGAAMP CSc1ccccc1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000216283009 376161011 /nfs/dbraw/zinc/16/10/11/376161011.db2.gz NRIBLGUECBOPQE-UHFFFAOYSA-N 2 1 275.421 3.045 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC001506398786 937989662 /nfs/dbraw/zinc/98/96/62/937989662.db2.gz GCHNBGMAJWBNNW-CYBMUJFWSA-N 2 1 291.826 3.320 50 0 CGAAMP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)cc1 ZINC000091313894 345810940 /nfs/dbraw/zinc/81/09/40/345810940.db2.gz KQFOOTOUUWQKHB-KRWDZBQOSA-N 2 1 287.407 3.187 50 0 CGAAMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174396561 373305696 /nfs/dbraw/zinc/30/56/96/373305696.db2.gz NMLDYRJVIMHGHG-LJQANCHMSA-N 2 1 295.430 3.036 50 0 CGAAMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccn1 ZINC000245339024 131084980 /nfs/dbraw/zinc/08/49/80/131084980.db2.gz PZUJCWBWZXOFPA-JYJNAYRXSA-N 2 1 287.451 3.385 50 0 CGAAMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccn1 ZINC000245339024 131084982 /nfs/dbraw/zinc/08/49/82/131084982.db2.gz PZUJCWBWZXOFPA-JYJNAYRXSA-N 2 1 287.451 3.385 50 0 CGAAMP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000090035200 277281866 /nfs/dbraw/zinc/28/18/66/277281866.db2.gz ZCHZLFSSQHGSOY-BLLLJJGKSA-N 2 1 296.842 3.100 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1(Cc2cccc(C)c2)CC1 ZINC000534657455 328340706 /nfs/dbraw/zinc/34/07/06/328340706.db2.gz FIBBVGFGKBIMPX-OAHLLOKOSA-N 2 1 283.419 3.253 50 0 CGAAMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000097499424 185617412 /nfs/dbraw/zinc/61/74/12/185617412.db2.gz UMVRHOOKPPEDCD-KRWDZBQOSA-N 2 1 295.430 3.235 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095420477 370188242 /nfs/dbraw/zinc/18/82/42/370188242.db2.gz YILNUZLPDPPEAS-GUTXKFCHSA-N 2 1 274.433 3.050 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095420477 370188247 /nfs/dbraw/zinc/18/82/47/370188247.db2.gz YILNUZLPDPPEAS-GUTXKFCHSA-N 2 1 274.433 3.050 50 0 CGAAMP CC[NH+]1CCC([N@H+](C)CCCCC(F)(F)F)CC1 ZINC000095433832 370192665 /nfs/dbraw/zinc/19/26/65/370192665.db2.gz UIDBIWYXHGUELQ-UHFFFAOYSA-N 2 1 266.351 3.135 50 0 CGAAMP CC[NH+]1CCC([N@@H+](C)CCCCC(F)(F)F)CC1 ZINC000095433832 370192669 /nfs/dbraw/zinc/19/26/69/370192669.db2.gz UIDBIWYXHGUELQ-UHFFFAOYSA-N 2 1 266.351 3.135 50 0 CGAAMP CSc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000097756396 370252113 /nfs/dbraw/zinc/25/21/13/370252113.db2.gz UISIJOPYLHAIKN-HNNXBMFYSA-N 2 1 278.465 3.325 50 0 CGAAMP CSc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000097756396 370252118 /nfs/dbraw/zinc/25/21/18/370252118.db2.gz UISIJOPYLHAIKN-HNNXBMFYSA-N 2 1 278.465 3.325 50 0 CGAAMP CC[NH+]1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004030554 926922771 /nfs/dbraw/zinc/92/27/71/926922771.db2.gz FEJPTTBCNGLTIE-UHFFFAOYSA-N 2 1 262.441 3.029 50 0 CGAAMP C/C(=C\c1ccccc1F)C[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000095698923 345900482 /nfs/dbraw/zinc/90/04/82/345900482.db2.gz FPOIECCDFNHLND-WCRPCQDQSA-N 2 1 276.399 3.303 50 0 CGAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000086279101 179262683 /nfs/dbraw/zinc/26/26/83/179262683.db2.gz GUGVXXYYIJHZKB-AWEZNQCLSA-N 2 1 292.386 3.427 50 0 CGAAMP [NH3+]C[C@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000065525637 369681290 /nfs/dbraw/zinc/68/12/90/369681290.db2.gz GQHSQXSBVIDEBG-MRXNPFEDSA-N 2 1 280.415 3.099 50 0 CGAAMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047687 370219304 /nfs/dbraw/zinc/21/93/04/370219304.db2.gz CHILMVDCSKVBOM-CMPLNLGQSA-N 2 1 286.391 3.170 50 0 CGAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000216266229 376161780 /nfs/dbraw/zinc/16/17/80/376161780.db2.gz XRYISHAWFXMRHF-UHFFFAOYSA-N 2 1 294.402 3.033 50 0 CGAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000216266229 376161787 /nfs/dbraw/zinc/16/17/87/376161787.db2.gz XRYISHAWFXMRHF-UHFFFAOYSA-N 2 1 294.402 3.033 50 0 CGAAMP CCc1ccc([C@@H](C)[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000097165401 392261844 /nfs/dbraw/zinc/26/18/44/392261844.db2.gz KEZLUELKAVZQOQ-GFCCVEGCSA-N 2 1 266.454 3.398 50 0 CGAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C2CCC2)C1 ZINC000245616218 393044527 /nfs/dbraw/zinc/04/45/27/393044527.db2.gz MRFJFBMVMXMZCK-LSDHHAIUSA-N 2 1 250.430 3.125 50 0 CGAAMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000245616218 393044532 /nfs/dbraw/zinc/04/45/32/393044532.db2.gz MRFJFBMVMXMZCK-LSDHHAIUSA-N 2 1 250.430 3.125 50 0 CGAAMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000245616218 393044537 /nfs/dbraw/zinc/04/45/37/393044537.db2.gz MRFJFBMVMXMZCK-LSDHHAIUSA-N 2 1 250.430 3.125 50 0 CGAAMP COc1ccc(C[N@@H+](C)C[C@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000952973309 636775631 /nfs/dbraw/zinc/77/56/31/636775631.db2.gz YHPWQELKARVCAC-HNNXBMFYSA-N 2 1 290.451 3.167 50 0 CGAAMP C[NH2+]C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000143503136 346114100 /nfs/dbraw/zinc/11/41/00/346114100.db2.gz NRBVGONDKPGVKH-UHFFFAOYSA-N 2 1 280.415 3.397 50 0 CGAAMP c1ccc(CC[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000000221394 368319406 /nfs/dbraw/zinc/31/94/06/368319406.db2.gz VHEQNDBPXMRBBY-UHFFFAOYSA-N 2 1 272.436 3.226 50 0 CGAAMP c1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000019735493 368761534 /nfs/dbraw/zinc/76/15/34/368761534.db2.gz XMADRZXWUCBVKU-KRWDZBQOSA-N 2 1 287.451 3.216 50 0 CGAAMP c1cncc(C[NH2+]C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000019735493 368761539 /nfs/dbraw/zinc/76/15/39/368761539.db2.gz XMADRZXWUCBVKU-KRWDZBQOSA-N 2 1 287.451 3.216 50 0 CGAAMP c1cc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000061327894 369597754 /nfs/dbraw/zinc/59/77/54/369597754.db2.gz XJIYDORLYQMEDX-OAHLLOKOSA-N 2 1 276.449 3.342 50 0 CGAAMP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000096297185 370210199 /nfs/dbraw/zinc/21/01/99/370210199.db2.gz HFLGPPABMQFMAN-SQFISAMPSA-N 2 1 270.420 3.306 50 0 CGAAMP CSc1ccccc1C[N@@H+](C)C[C@@]1(C)CC[NH+](C)C1 ZINC000214983706 376144627 /nfs/dbraw/zinc/14/46/27/376144627.db2.gz KBKIWYOFCSCPJV-INIZCTEOSA-N 2 1 278.465 3.182 50 0 CGAAMP CSc1ccccc1C[NH+](C)C[C@@]1(C)CC[N@H+](C)C1 ZINC000214983706 376144631 /nfs/dbraw/zinc/14/46/31/376144631.db2.gz KBKIWYOFCSCPJV-INIZCTEOSA-N 2 1 278.465 3.182 50 0 CGAAMP CSc1ccccc1C[NH+](C)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000214983706 376144635 /nfs/dbraw/zinc/14/46/35/376144635.db2.gz KBKIWYOFCSCPJV-INIZCTEOSA-N 2 1 278.465 3.182 50 0 CGAAMP c1cc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000215149390 376146199 /nfs/dbraw/zinc/14/61/99/376146199.db2.gz MAFGVONGFBSJSD-GASCZTMLSA-N 2 1 284.428 3.066 50 0 CGAAMP C[NH+](C)Cc1csc(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000243956764 376788973 /nfs/dbraw/zinc/78/89/73/376788973.db2.gz CDPKDENRIPRICI-UHFFFAOYSA-N 2 1 290.432 3.147 50 0 CGAAMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000000757619 528204614 /nfs/dbraw/zinc/20/46/14/528204614.db2.gz UCAXRWOOSCXNNS-UHFFFAOYSA-N 2 1 266.816 3.304 50 0 CGAAMP CCc1nc(C)c(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C(C)C)[nH]1 ZINC000952990635 615737319 /nfs/dbraw/zinc/73/73/19/615737319.db2.gz RYMXEIUVVCERTQ-HNNXBMFYSA-N 2 1 292.471 3.023 50 0 CGAAMP CCc1nc(C)c(C[NH2+]CC[C@@H]2CCCC[N@H+]2C(C)C)[nH]1 ZINC000952990635 615737320 /nfs/dbraw/zinc/73/73/20/615737320.db2.gz RYMXEIUVVCERTQ-HNNXBMFYSA-N 2 1 292.471 3.023 50 0 CGAAMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000097657319 230387049 /nfs/dbraw/zinc/38/70/49/230387049.db2.gz XSSBCYUVUJSWMF-QGZVFWFLSA-N 2 1 283.419 3.151 50 0 CGAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC000097657319 230387050 /nfs/dbraw/zinc/38/70/50/230387050.db2.gz XSSBCYUVUJSWMF-QGZVFWFLSA-N 2 1 283.419 3.151 50 0 CGAAMP Cc1cc(N2CCC[N@@H+](CCc3ccccc3)CC2)cc[nH+]1 ZINC000065396889 369671957 /nfs/dbraw/zinc/67/19/57/369671957.db2.gz RZTWXRGFWKUFBN-UHFFFAOYSA-N 2 1 295.430 3.145 50 0 CGAAMP COC[C@@H]1CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000097660339 370249600 /nfs/dbraw/zinc/24/96/00/370249600.db2.gz IFIRYSVJQAOZQX-OAHLLOKOSA-N 2 1 291.439 3.001 50 0 CGAAMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccco2)c1 ZINC000426604510 372166175 /nfs/dbraw/zinc/16/61/75/372166175.db2.gz OCFTUMGZLPRJLT-CJNGLKHVSA-N 2 1 270.376 3.258 50 0 CGAAMP C[N@@H+](Cc1cncn1C1CC1)[C@H](c1ccccn1)C1CC1 ZINC000252488281 377630623 /nfs/dbraw/zinc/63/06/23/377630623.db2.gz IOMLOUUQBHNVFY-KRWDZBQOSA-N 2 1 282.391 3.196 50 0 CGAAMP CCN(Cc1cc(F)cc(Cl)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000215493825 392987146 /nfs/dbraw/zinc/98/71/46/392987146.db2.gz BKEGSAULXBIHSB-GFCCVEGCSA-N 2 1 284.806 3.253 50 0 CGAAMP CC[NH+](Cc1cc(F)cc(Cl)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000215493825 392987165 /nfs/dbraw/zinc/98/71/65/392987165.db2.gz BKEGSAULXBIHSB-GFCCVEGCSA-N 2 1 284.806 3.253 50 0 CGAAMP CC[NH+](Cc1cc(F)cc(Cl)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000215493825 392987169 /nfs/dbraw/zinc/98/71/69/392987169.db2.gz BKEGSAULXBIHSB-GFCCVEGCSA-N 2 1 284.806 3.253 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000670439147 543154314 /nfs/dbraw/zinc/15/43/14/543154314.db2.gz CCPHDFAAJJIRMN-KRWDZBQOSA-N 2 1 273.424 3.404 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000670439147 543154316 /nfs/dbraw/zinc/15/43/16/543154316.db2.gz CCPHDFAAJJIRMN-KRWDZBQOSA-N 2 1 273.424 3.404 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072129223 176321228 /nfs/dbraw/zinc/32/12/28/176321228.db2.gz SOAYQLRGXFRBSZ-QGZVFWFLSA-N 2 1 284.407 3.204 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072129223 176321229 /nfs/dbraw/zinc/32/12/29/176321229.db2.gz SOAYQLRGXFRBSZ-QGZVFWFLSA-N 2 1 284.407 3.204 50 0 CGAAMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]CCCc1ccccc1 ZINC001506420161 937990069 /nfs/dbraw/zinc/99/00/69/937990069.db2.gz WNPOZNRNQJTDAX-KRWDZBQOSA-N 2 1 274.452 3.473 50 0 CGAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577294 345790705 /nfs/dbraw/zinc/79/07/05/345790705.db2.gz WNPKZWMDHQEOKA-QWQRMKEZSA-N 2 1 285.435 3.029 50 0 CGAAMP Cc1[nH+]ccn1CC[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000584896189 346723050 /nfs/dbraw/zinc/72/30/50/346723050.db2.gz IPYQAFXIKRYTGZ-SFHVURJKSA-N 2 1 299.418 3.092 50 0 CGAAMP C[N@H+]1CCCc2c(c3ccccc3n2-c2cc[nH+]cc2)C1 ZINC000075567372 369913884 /nfs/dbraw/zinc/91/38/84/369913884.db2.gz AOMBYKRBLJVRBN-UHFFFAOYSA-N 2 1 277.371 3.404 50 0 CGAAMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000076453634 369938726 /nfs/dbraw/zinc/93/87/26/369938726.db2.gz ZHOKRGZKGNAMBJ-LSDHHAIUSA-N 2 1 276.424 3.078 50 0 CGAAMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)CC1 ZINC000097173237 370232269 /nfs/dbraw/zinc/23/22/69/370232269.db2.gz XWJLNNMLVMOWAH-RCFWFJCLSA-N 2 1 276.399 3.255 50 0 CGAAMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)CC1 ZINC000097173237 370232275 /nfs/dbraw/zinc/23/22/75/370232275.db2.gz XWJLNNMLVMOWAH-RCFWFJCLSA-N 2 1 276.399 3.255 50 0 CGAAMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c2ccccc12 ZINC000097229202 370234962 /nfs/dbraw/zinc/23/49/62/370234962.db2.gz YLUQFQCACIJUHN-DZGCQCFKSA-N 2 1 284.403 3.160 50 0 CGAAMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C[NH+]3CCC3)cc2)C1 ZINC000216030714 376157538 /nfs/dbraw/zinc/15/75/38/376157538.db2.gz VHAODIMRYGFRAC-MRXNPFEDSA-N 2 1 288.435 3.003 50 0 CGAAMP CSc1cccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000244626573 376792431 /nfs/dbraw/zinc/79/24/31/376792431.db2.gz FOELPTMOVUWTAX-OAHLLOKOSA-N 2 1 278.465 3.325 50 0 CGAAMP CSc1cccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000244626573 376792443 /nfs/dbraw/zinc/79/24/43/376792443.db2.gz FOELPTMOVUWTAX-OAHLLOKOSA-N 2 1 278.465 3.325 50 0 CGAAMP CSc1cccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000244626573 376792455 /nfs/dbraw/zinc/79/24/55/376792455.db2.gz FOELPTMOVUWTAX-OAHLLOKOSA-N 2 1 278.465 3.325 50 0 CGAAMP CSc1cccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000244626573 376792465 /nfs/dbraw/zinc/79/24/65/376792465.db2.gz FOELPTMOVUWTAX-OAHLLOKOSA-N 2 1 278.465 3.325 50 0 CGAAMP Cc1ccc(NCCC[NH2+]Cc2ccc(Cl)o2)[nH+]c1 ZINC000952975940 636776084 /nfs/dbraw/zinc/77/60/84/636776084.db2.gz ZVAWSQGADOJJIH-UHFFFAOYSA-N 2 1 279.771 3.228 50 0 CGAAMP CC(C)=CC[NH+]1CCC([NH2+]C/C=C\c2ccco2)CC1 ZINC000221690505 637743719 /nfs/dbraw/zinc/74/37/19/637743719.db2.gz PAHJCHIDKKNJDU-HYXAFXHYSA-N 2 1 274.408 3.313 50 0 CGAAMP C[C@@H](CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000279311 640922010 /nfs/dbraw/zinc/92/20/10/640922010.db2.gz QYRAWYYKHBSOFG-HNNXBMFYSA-N 2 1 260.425 3.206 50 0 CGAAMP C[C@@H](CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000279311 640922014 /nfs/dbraw/zinc/92/20/14/640922014.db2.gz QYRAWYYKHBSOFG-HNNXBMFYSA-N 2 1 260.425 3.206 50 0 CGAAMP CSC(C)(C)C[C@H](C)[NH2+]CCn1c[nH+]c(C)c1C ZINC000824870976 800472604 /nfs/dbraw/zinc/47/26/04/800472604.db2.gz FHDLMESWUCIFFU-NSHDSACASA-N 2 1 269.458 3.010 50 0 CGAAMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000952869265 800685149 /nfs/dbraw/zinc/68/51/49/800685149.db2.gz GSFLUDQKRRVSGD-OAHLLOKOSA-N 2 1 293.455 3.191 50 0 CGAAMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001506402396 937989595 /nfs/dbraw/zinc/98/95/95/937989595.db2.gz XVXXAKMKIIJEDK-ZDUSSCGKSA-N 2 1 268.832 3.201 50 0 CGAAMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001506402396 937989596 /nfs/dbraw/zinc/98/95/96/937989596.db2.gz XVXXAKMKIIJEDK-ZDUSSCGKSA-N 2 1 268.832 3.201 50 0 CGAAMP Cc1ccc(CC2([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC2)cc1 ZINC001506410016 937989806 /nfs/dbraw/zinc/98/98/06/937989806.db2.gz QPUFPUDZSKJFIA-INIZCTEOSA-N 2 1 274.452 3.388 50 0 CGAAMP Cc1ccc(CC2([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001506410016 937989807 /nfs/dbraw/zinc/98/98/07/937989807.db2.gz QPUFPUDZSKJFIA-INIZCTEOSA-N 2 1 274.452 3.388 50 0 CGAAMP COc1ccc([C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000095986772 185055900 /nfs/dbraw/zinc/05/59/00/185055900.db2.gz MPIPCQLTAVKIJU-INMHGKMJSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000095986772 185055903 /nfs/dbraw/zinc/05/59/03/185055903.db2.gz MPIPCQLTAVKIJU-INMHGKMJSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000095986772 185055904 /nfs/dbraw/zinc/05/59/04/185055904.db2.gz MPIPCQLTAVKIJU-INMHGKMJSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000095986772 185055906 /nfs/dbraw/zinc/05/59/06/185055906.db2.gz MPIPCQLTAVKIJU-INMHGKMJSA-N 2 1 290.451 3.213 50 0 CGAAMP C[C@@H]1C[C@H]([NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC000097212698 370234023 /nfs/dbraw/zinc/23/40/23/370234023.db2.gz IPJUXIPMIIAGAA-GDBMZVCRSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@@H]1C[C@H]([NH+](C)CCC2CCCCC2)CC[N@H+]1C ZINC000097212698 370234028 /nfs/dbraw/zinc/23/40/28/370234028.db2.gz IPJUXIPMIIAGAA-GDBMZVCRSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@@H]1C[C@H]([N@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212698 370234033 /nfs/dbraw/zinc/23/40/33/370234033.db2.gz IPJUXIPMIIAGAA-GDBMZVCRSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212698 370234037 /nfs/dbraw/zinc/23/40/37/370234037.db2.gz IPJUXIPMIIAGAA-GDBMZVCRSA-N 2 1 252.446 3.371 50 0 CGAAMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421821443 371642853 /nfs/dbraw/zinc/64/28/53/371642853.db2.gz RKJUPYRFOUJJTO-KRWDZBQOSA-N 2 1 294.414 3.215 50 0 CGAAMP CCCC[C@@H]1C=CC[N@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000215155171 376145983 /nfs/dbraw/zinc/14/59/83/376145983.db2.gz PBXYQHAZPOXPKP-QGZVFWFLSA-N 2 1 258.409 3.118 50 0 CGAAMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000097162663 392260525 /nfs/dbraw/zinc/26/05/25/392260525.db2.gz GUYBGSUMBRUEQS-GOEBONIOSA-N 2 1 276.424 3.177 50 0 CGAAMP C[C@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCC2)C1 ZINC000216485762 392991032 /nfs/dbraw/zinc/99/10/32/392991032.db2.gz PFMSXAAVILEFNX-INIZCTEOSA-N 2 1 288.435 3.003 50 0 CGAAMP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000108333208 397652988 /nfs/dbraw/zinc/65/29/88/397652988.db2.gz NQRKRMQCMMKSOK-STEAMIEHSA-N 2 1 284.447 3.253 50 0 CGAAMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000095421933 273510961 /nfs/dbraw/zinc/51/09/61/273510961.db2.gz OPHFZYNZMJOWHF-QGZVFWFLSA-N 2 1 288.435 3.090 50 0 CGAAMP [NH3+]CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cc1 ZINC000071589728 295240660 /nfs/dbraw/zinc/24/06/60/295240660.db2.gz XEBMDKZQSRHPAH-YHFFBGSDSA-N 2 1 284.447 3.056 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC001506398729 937989515 /nfs/dbraw/zinc/98/95/15/937989515.db2.gz FQUUHOGHGCGXSC-HNNXBMFYSA-N 2 1 283.419 3.421 50 0 CGAAMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC001529151958 938071284 /nfs/dbraw/zinc/07/12/84/938071284.db2.gz ICOLOONGTLSLTA-HIFRSBDPSA-N 2 1 296.842 3.168 50 0 CGAAMP C[C@H](CCc1ccccc1)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000097095596 370224955 /nfs/dbraw/zinc/22/49/55/370224955.db2.gz FKTGYAGGXRMRGY-FAEJEUNOSA-N 2 1 274.452 3.457 50 0 CGAAMP c1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299802406 373613776 /nfs/dbraw/zinc/61/37/76/373613776.db2.gz LPXZJQSPIPXZCD-ZBFHGGJFSA-N 2 1 286.444 3.475 50 0 CGAAMP C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101417990 277053333 /nfs/dbraw/zinc/05/33/33/277053333.db2.gz CDEKEQYZEKYEAI-WCQYABFASA-N 2 1 272.314 3.047 50 0 CGAAMP [NH3+][C@@H]1CCCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000082133910 295297251 /nfs/dbraw/zinc/29/72/51/295297251.db2.gz JJHHCGLNAWZMIT-GFCCVEGCSA-N 2 1 275.783 3.206 50 0 CGAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)o1 ZINC000952973459 614327694 /nfs/dbraw/zinc/32/76/94/614327694.db2.gz ACIPPOPHXVDKEU-UHFFFAOYSA-N 2 1 281.787 3.433 50 0 CGAAMP C[N@H+]1CC[C@](C)(CNCc2[nH]c3ccccc3c2Cl)C1 ZINC000952963032 616452969 /nfs/dbraw/zinc/45/29/69/616452969.db2.gz HBCWEVCHUPOWEA-MRXNPFEDSA-N 2 1 291.826 3.253 50 0 CGAAMP Cc1cccc(C[N@H+](C)C[C@H](C)C[NH+]2CCCC2)c1 ZINC000952873769 800685888 /nfs/dbraw/zinc/68/58/88/800685888.db2.gz OGYFCRVHRGLKMG-INIZCTEOSA-N 2 1 260.425 3.159 50 0 CGAAMP Cn1c(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)cc2ccccc21 ZINC000072418044 369819481 /nfs/dbraw/zinc/81/94/81/369819481.db2.gz LPFIXPOWIMVOSC-QGZVFWFLSA-N 2 1 299.462 3.485 50 0 CGAAMP Cn1c(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)cc2ccccc21 ZINC000072418044 369819485 /nfs/dbraw/zinc/81/94/85/369819485.db2.gz LPFIXPOWIMVOSC-QGZVFWFLSA-N 2 1 299.462 3.485 50 0 CGAAMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc(F)cc2Cl)CCN1C ZINC000252548720 377637492 /nfs/dbraw/zinc/63/74/92/377637492.db2.gz QHNBXKJCOJBFDQ-SWLSCSKDSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@H]1C[C@H]([NH+](C)CCc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000252548720 377637498 /nfs/dbraw/zinc/63/74/98/377637498.db2.gz QHNBXKJCOJBFDQ-SWLSCSKDSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc(F)cc2Cl)CC[NH+]1C ZINC000252548720 377637520 /nfs/dbraw/zinc/63/75/20/377637520.db2.gz QHNBXKJCOJBFDQ-SWLSCSKDSA-N 2 1 298.833 3.436 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1(c2cc(F)cc(F)c2)CC1 ZINC000584895426 346722770 /nfs/dbraw/zinc/72/27/70/346722770.db2.gz XXFYMVOLHGLWMH-LLVKDONJSA-N 2 1 291.345 3.137 50 0 CGAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000086279098 179263048 /nfs/dbraw/zinc/26/30/48/179263048.db2.gz GUGVXXYYIJHZKB-CQSZACIVSA-N 2 1 292.386 3.427 50 0 CGAAMP C(C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020906899 368808552 /nfs/dbraw/zinc/80/85/52/368808552.db2.gz QTVQBXQKRJVCNJ-INIZCTEOSA-N 2 1 250.430 3.127 50 0 CGAAMP c1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000067489691 369718423 /nfs/dbraw/zinc/71/84/23/369718423.db2.gz BUSPMALNNPHGDE-IBGZPJMESA-N 2 1 280.415 3.415 50 0 CGAAMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000095419521 370187247 /nfs/dbraw/zinc/18/72/47/370187247.db2.gz YEQQYJMZDPPRSZ-CQSZACIVSA-N 2 1 298.377 3.423 50 0 CGAAMP CSc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000097756395 370251974 /nfs/dbraw/zinc/25/19/74/370251974.db2.gz UISIJOPYLHAIKN-OAHLLOKOSA-N 2 1 278.465 3.325 50 0 CGAAMP CSc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000097756395 370251978 /nfs/dbraw/zinc/25/19/78/370251978.db2.gz UISIJOPYLHAIKN-OAHLLOKOSA-N 2 1 278.465 3.325 50 0 CGAAMP C[C@@H](CCc1c[nH]c2ccccc12)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426739117 372171125 /nfs/dbraw/zinc/17/11/25/372171125.db2.gz WCIFBVNRBHWVFY-AMVTXUCVSA-N 2 1 297.446 3.158 50 0 CGAAMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000225638985 376320080 /nfs/dbraw/zinc/32/00/80/376320080.db2.gz QHNBXKJCOJBFDQ-IUODEOHRSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000225638985 376320083 /nfs/dbraw/zinc/32/00/83/376320083.db2.gz QHNBXKJCOJBFDQ-IUODEOHRSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc(F)cc2Cl)CC[NH+]1C ZINC000225638985 376320088 /nfs/dbraw/zinc/32/00/88/376320088.db2.gz QHNBXKJCOJBFDQ-IUODEOHRSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(F)cc2Cl)CC[NH+]1C ZINC000225638985 376320095 /nfs/dbraw/zinc/32/00/95/376320095.db2.gz QHNBXKJCOJBFDQ-IUODEOHRSA-N 2 1 298.833 3.436 50 0 CGAAMP Cc1cc(C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)ccn1 ZINC000215007793 262338401 /nfs/dbraw/zinc/33/84/01/262338401.db2.gz PYXLCHHWKJXKNK-UHFFFAOYSA-N 2 1 289.448 3.145 50 0 CGAAMP Cc1cc(C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)ccn1 ZINC000215007793 262338403 /nfs/dbraw/zinc/33/84/03/262338403.db2.gz PYXLCHHWKJXKNK-UHFFFAOYSA-N 2 1 289.448 3.145 50 0 CGAAMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1coc2ccccc12 ZINC000863982334 629721503 /nfs/dbraw/zinc/72/15/03/629721503.db2.gz CYQGGROKARMHHU-LBPRGKRZSA-N 2 1 258.365 3.178 50 0 CGAAMP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)cc1 ZINC000091313893 345810511 /nfs/dbraw/zinc/81/05/11/345810511.db2.gz KQFOOTOUUWQKHB-QGZVFWFLSA-N 2 1 287.407 3.187 50 0 CGAAMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000095420213 370188626 /nfs/dbraw/zinc/18/86/26/370188626.db2.gz LFBQTRYLMBTDFV-CABCVRRESA-N 2 1 250.430 3.195 50 0 CGAAMP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2n1 ZINC000187640514 375063060 /nfs/dbraw/zinc/06/30/60/375063060.db2.gz GPOZZHBTIXEKMW-MRXNPFEDSA-N 2 1 295.430 3.117 50 0 CGAAMP C[C@@H]1CC[N@@H+](CCCn2ccnc2)[C@@H](c2ccco2)C1 ZINC000245882288 376924886 /nfs/dbraw/zinc/92/48/86/376924886.db2.gz NUNDUXKGDUPTGV-HUUCEWRRSA-N 2 1 273.380 3.339 50 0 CGAAMP CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251738378 542347757 /nfs/dbraw/zinc/34/77/57/542347757.db2.gz SYOZACZHKPMCKL-BLNMRFBMSA-N 2 1 250.430 3.170 50 0 CGAAMP CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251738378 542347758 /nfs/dbraw/zinc/34/77/58/542347758.db2.gz SYOZACZHKPMCKL-BLNMRFBMSA-N 2 1 250.430 3.170 50 0 CGAAMP C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C ZINC000004820464 170023492 /nfs/dbraw/zinc/02/34/92/170023492.db2.gz UDTRLIVLFCHUOX-ILXRZTDVSA-N 2 1 264.413 3.255 50 0 CGAAMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000095968502 185047675 /nfs/dbraw/zinc/04/76/75/185047675.db2.gz XFBDHFWUSDBVSA-SFHVURJKSA-N 2 1 283.419 3.119 50 0 CGAAMP C[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683499 344859666 /nfs/dbraw/zinc/85/96/66/344859666.db2.gz GALMFCIMTCNSMV-QGZVFWFLSA-N 2 1 286.463 3.425 50 0 CGAAMP C[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683499 344859668 /nfs/dbraw/zinc/85/96/68/344859668.db2.gz GALMFCIMTCNSMV-QGZVFWFLSA-N 2 1 286.463 3.425 50 0 CGAAMP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000253369835 346394423 /nfs/dbraw/zinc/39/44/23/346394423.db2.gz IQFMRHVWZIBDBH-KKUMJFAQSA-N 2 1 282.497 3.125 50 0 CGAAMP c1coc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000002382998 368453663 /nfs/dbraw/zinc/45/36/63/368453663.db2.gz LUDPAPHRXZBKJI-UHFFFAOYSA-N 2 1 270.376 3.034 50 0 CGAAMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000019912856 368781980 /nfs/dbraw/zinc/78/19/80/368781980.db2.gz YSMLZZYPBHOMBN-OAHLLOKOSA-N 2 1 276.424 3.049 50 0 CGAAMP C1CCC2(CC1)[NH2+]CCC[NH+]=C2NC1CCCCCC1 ZINC000064761535 369659757 /nfs/dbraw/zinc/65/97/57/369659757.db2.gz XLWKJDIDELIHOE-UHFFFAOYSA-N 2 1 277.456 3.394 50 0 biogenic CGAAMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000095420212 370188935 /nfs/dbraw/zinc/18/89/35/370188935.db2.gz LFBQTRYLMBTDFV-GJZGRUSLSA-N 2 1 250.430 3.195 50 0 CGAAMP CCCCCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524728976 392936755 /nfs/dbraw/zinc/93/67/55/392936755.db2.gz MZQULUHGEYIEKD-JKSUJKDBSA-N 2 1 252.446 3.421 50 0 biogenic CGAAMP C[NH+](C)CC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000823693099 800468860 /nfs/dbraw/zinc/46/88/60/800468860.db2.gz WOZWJKOPSPDJGW-INIZCTEOSA-N 2 1 250.430 3.151 50 0 CGAAMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000076453640 369938701 /nfs/dbraw/zinc/93/87/01/369938701.db2.gz ZHOKRGZKGNAMBJ-GJZGRUSLSA-N 2 1 276.424 3.078 50 0 CGAAMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000097038863 370216508 /nfs/dbraw/zinc/21/65/08/370216508.db2.gz XLQWRAZBFROFPJ-RLFYNMQTSA-N 2 1 289.467 3.197 50 0 CGAAMP C[N@H+](Cc1ccc(-c2ccco2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000097758026 370253204 /nfs/dbraw/zinc/25/32/04/370253204.db2.gz QVIOAPXMCFYKEQ-MRXNPFEDSA-N 2 1 284.403 3.378 50 0 CGAAMP Cc1ccc(SCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000299794607 373613925 /nfs/dbraw/zinc/61/39/25/373613925.db2.gz LOUOYFAXLZIBMS-MRXNPFEDSA-N 2 1 292.492 3.361 50 0 CGAAMP Cc1ccc(SCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000299794607 373613931 /nfs/dbraw/zinc/61/39/31/373613931.db2.gz LOUOYFAXLZIBMS-MRXNPFEDSA-N 2 1 292.492 3.361 50 0 CGAAMP Cc1ccc(SCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000299794607 373613939 /nfs/dbraw/zinc/61/39/39/373613939.db2.gz LOUOYFAXLZIBMS-MRXNPFEDSA-N 2 1 292.492 3.361 50 0 CGAAMP C[N@H+](C[C@H]1CCn2cc[nH+]c2C1)CC(C)(C)c1ccccc1 ZINC000377862844 379753339 /nfs/dbraw/zinc/75/33/39/379753339.db2.gz ZNSCZGJYKQSQLJ-INIZCTEOSA-N 2 1 297.446 3.355 50 0 CGAAMP C[N@@H+](C[C@H]1CCn2cc[nH+]c2C1)CC(C)(C)c1ccccc1 ZINC000377862844 379753341 /nfs/dbraw/zinc/75/33/41/379753341.db2.gz ZNSCZGJYKQSQLJ-INIZCTEOSA-N 2 1 297.446 3.355 50 0 CGAAMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)o1 ZINC000072129570 176321253 /nfs/dbraw/zinc/32/12/53/176321253.db2.gz VBSNQJNGVJFQKL-DOTOQJQBSA-N 2 1 276.424 3.284 50 0 CGAAMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)o1 ZINC000072129570 176321255 /nfs/dbraw/zinc/32/12/55/176321255.db2.gz VBSNQJNGVJFQKL-DOTOQJQBSA-N 2 1 276.424 3.284 50 0 CGAAMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)o1 ZINC000072129570 176321256 /nfs/dbraw/zinc/32/12/56/176321256.db2.gz VBSNQJNGVJFQKL-DOTOQJQBSA-N 2 1 276.424 3.284 50 0 CGAAMP CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251738383 280325337 /nfs/dbraw/zinc/32/53/37/280325337.db2.gz SYOZACZHKPMCKL-YZDRTPDPSA-N 2 1 250.430 3.170 50 0 CGAAMP CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251738383 280325339 /nfs/dbraw/zinc/32/53/39/280325339.db2.gz SYOZACZHKPMCKL-YZDRTPDPSA-N 2 1 250.430 3.170 50 0 CGAAMP Cc1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)c(C)s1 ZINC000534649858 328344217 /nfs/dbraw/zinc/34/42/17/328344217.db2.gz YRQVOURELONULV-UHFFFAOYSA-N 2 1 293.480 3.116 50 0 CGAAMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000065371376 369669311 /nfs/dbraw/zinc/66/93/11/369669311.db2.gz JWSHXTWBXWHCKH-GFCCVEGCSA-N 2 1 286.341 3.266 50 0 CGAAMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047688 370219325 /nfs/dbraw/zinc/21/93/25/370219325.db2.gz CHILMVDCSKVBOM-ZYHUDNBSSA-N 2 1 286.391 3.170 50 0 CGAAMP [NH3+]CC[NH2+]CCCCOc1ccccc1-c1ccccc1 ZINC000039411874 184546873 /nfs/dbraw/zinc/54/68/73/184546873.db2.gz HFKWIDHLLXDVDI-UHFFFAOYSA-N 2 1 284.403 3.061 50 0 CGAAMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)CC3 ZINC000221910492 393007747 /nfs/dbraw/zinc/00/77/47/393007747.db2.gz PTLMZEYXCKHWKI-RRFJBIMHSA-N 2 1 297.446 3.003 50 0 CGAAMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000037248738 173061527 /nfs/dbraw/zinc/06/15/27/173061527.db2.gz NSFNKJKDMCIFLI-FVQBIDKESA-N 2 1 252.446 3.131 50 0 CGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000077453088 177270341 /nfs/dbraw/zinc/27/03/41/177270341.db2.gz GUSHDGIGDWDXQM-QGZVFWFLSA-N 2 1 284.407 3.031 50 0 CGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000077453088 177270342 /nfs/dbraw/zinc/27/03/42/177270342.db2.gz GUSHDGIGDWDXQM-QGZVFWFLSA-N 2 1 284.407 3.031 50 0 CGAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577290 180008644 /nfs/dbraw/zinc/00/86/44/180008644.db2.gz WNPKZWMDHQEOKA-GLJUWKHASA-N 2 1 285.435 3.029 50 0 CGAAMP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000053385730 369483680 /nfs/dbraw/zinc/48/36/80/369483680.db2.gz ADKLAILQTBHSBI-ROUUACIJSA-N 2 1 272.436 3.431 50 0 CGAAMP c1ccc(C[NH2+]CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000053385730 369483685 /nfs/dbraw/zinc/48/36/85/369483685.db2.gz ADKLAILQTBHSBI-ROUUACIJSA-N 2 1 272.436 3.431 50 0 CGAAMP Cc1ccc(CNC2=[NH+]CCC[NH2+][C@@]23CCC[C@H](C)C3)cc1 ZINC000064459867 369653528 /nfs/dbraw/zinc/65/35/28/369653528.db2.gz FRWYTSJFCDSONF-QFBILLFUSA-N 2 1 299.462 3.425 50 0 biogenic CGAAMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000170590928 372640306 /nfs/dbraw/zinc/64/03/06/372640306.db2.gz MRFJFBMVMXMZCK-GJZGRUSLSA-N 2 1 250.430 3.125 50 0 CGAAMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)CC3 ZINC000108480986 397653091 /nfs/dbraw/zinc/65/30/91/397653091.db2.gz PTLMZEYXCKHWKI-RBSFLKMASA-N 2 1 297.446 3.003 50 0 CGAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000170590927 287272334 /nfs/dbraw/zinc/27/23/34/287272334.db2.gz MRFJFBMVMXMZCK-CABCVRRESA-N 2 1 250.430 3.125 50 0 CGAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000170590927 287272337 /nfs/dbraw/zinc/27/23/37/287272337.db2.gz MRFJFBMVMXMZCK-CABCVRRESA-N 2 1 250.430 3.125 50 0 CGAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000170590927 287272341 /nfs/dbraw/zinc/27/23/41/287272341.db2.gz MRFJFBMVMXMZCK-CABCVRRESA-N 2 1 250.430 3.125 50 0 CGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000077375273 177260115 /nfs/dbraw/zinc/26/01/15/177260115.db2.gz FLLRLKFEVAQNRF-UHFFFAOYSA-N 2 1 287.432 3.164 50 0 CGAAMP C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557280 346273768 /nfs/dbraw/zinc/27/37/68/346273768.db2.gz NSDLRXFGHMZGKH-ZIAGYGMSSA-N 2 1 282.497 3.125 50 0 CGAAMP C[NH+](C)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001542122 368418280 /nfs/dbraw/zinc/41/82/80/368418280.db2.gz WEXXUYMWTQIYRE-UHFFFAOYSA-N 2 1 263.772 3.252 50 0 CGAAMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000062426748 369624248 /nfs/dbraw/zinc/62/42/48/369624248.db2.gz BPQQCPKAIZBHNI-QGZVFWFLSA-N 2 1 272.436 3.431 50 0 CGAAMP c1cn(CC2CCC2)c([C@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000095359859 370179206 /nfs/dbraw/zinc/17/92/06/370179206.db2.gz MSOYSEWGMRJLEA-INIZCTEOSA-N 2 1 296.418 3.462 50 0 CGAAMP Cc1ccc(CNC2=[NH+]CCC[NH2+]C23CCC(C)CC3)cc1 ZINC000064459866 541888181 /nfs/dbraw/zinc/88/81/81/541888181.db2.gz AMCPVFFXIQMRFT-UHFFFAOYSA-N 2 1 299.462 3.425 50 0 biogenic CGAAMP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000097165818 392262282 /nfs/dbraw/zinc/26/22/82/392262282.db2.gz RWNYUDJENYOZHB-PBHICJAKSA-N 2 1 260.425 3.164 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000670438875 543154448 /nfs/dbraw/zinc/15/44/48/543154448.db2.gz OFJWARLVLLJWTM-AWEZNQCLSA-N 2 1 275.421 3.165 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000670438875 543154451 /nfs/dbraw/zinc/15/44/51/543154451.db2.gz OFJWARLVLLJWTM-AWEZNQCLSA-N 2 1 275.421 3.165 50 0 CGAAMP CCc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)nc1 ZINC000670459025 543156936 /nfs/dbraw/zinc/15/69/36/543156936.db2.gz FBVPBCCYMCERSJ-KRWDZBQOSA-N 2 1 298.434 3.061 50 0 CGAAMP CCc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)nc1 ZINC000670459025 543156938 /nfs/dbraw/zinc/15/69/38/543156938.db2.gz FBVPBCCYMCERSJ-KRWDZBQOSA-N 2 1 298.434 3.061 50 0 CGAAMP C[N@H+](Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000002490610 618168178 /nfs/dbraw/zinc/16/81/78/618168178.db2.gz AGFFVGUHMKVGBY-UHFFFAOYSA-N 2 1 268.404 3.366 50 0 CGAAMP C[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000002490610 618168181 /nfs/dbraw/zinc/16/81/81/618168181.db2.gz AGFFVGUHMKVGBY-UHFFFAOYSA-N 2 1 268.404 3.366 50 0 CGAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1cc2ccccc2o1 ZINC001506396145 937989491 /nfs/dbraw/zinc/98/94/91/937989491.db2.gz ANUAROVXPGZUTB-UHFFFAOYSA-N 2 1 283.375 3.372 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1sccc1C ZINC001506404879 937989693 /nfs/dbraw/zinc/98/96/93/937989693.db2.gz SCIQVYCDFPKWQW-CYBMUJFWSA-N 2 1 277.437 3.036 50 0 CGAAMP CC[N@H+]1CC[C@H](C[NH+](C)CCSc2ccccc2)C1 ZINC001529110463 938071066 /nfs/dbraw/zinc/07/10/66/938071066.db2.gz NVCFGPMTCIGCSC-OAHLLOKOSA-N 2 1 278.465 3.052 50 0 CGAAMP CC[NH+]1CC[C@H](C[N@H+](C)CCSc2ccccc2)C1 ZINC001529110463 938071067 /nfs/dbraw/zinc/07/10/67/938071067.db2.gz NVCFGPMTCIGCSC-OAHLLOKOSA-N 2 1 278.465 3.052 50 0 CGAAMP CC[NH+]1CC[C@H](C[N@@H+](C)CCSc2ccccc2)C1 ZINC001529110463 938071068 /nfs/dbraw/zinc/07/10/68/938071068.db2.gz NVCFGPMTCIGCSC-OAHLLOKOSA-N 2 1 278.465 3.052 50 0 CGAAMP CC(C)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000238717 368321583 /nfs/dbraw/zinc/32/15/83/368321583.db2.gz FCYLYAKQXGCECA-UHFFFAOYSA-N 2 1 260.425 3.336 50 0 CGAAMP CC(C)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000238717 368321586 /nfs/dbraw/zinc/32/15/86/368321586.db2.gz FCYLYAKQXGCECA-UHFFFAOYSA-N 2 1 260.425 3.336 50 0 CGAAMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000055326915 369514281 /nfs/dbraw/zinc/51/42/81/369514281.db2.gz QAQPXANUEPPBBB-LSDHHAIUSA-N 2 1 293.842 3.089 50 0 CGAAMP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095352778 370177991 /nfs/dbraw/zinc/17/79/91/370177991.db2.gz SRXAKRMJLNDTNV-OAHLLOKOSA-N 2 1 284.407 3.462 50 0 CGAAMP C[C@H]1C[C@@H]([NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC000097212701 370234259 /nfs/dbraw/zinc/23/42/59/370234259.db2.gz IPJUXIPMIIAGAA-HOCLYGCPSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@H]1C[C@@H]([NH+](C)CCC2CCCCC2)CC[N@H+]1C ZINC000097212701 370234262 /nfs/dbraw/zinc/23/42/62/370234262.db2.gz IPJUXIPMIIAGAA-HOCLYGCPSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@H]1C[C@@H]([N@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212701 370234266 /nfs/dbraw/zinc/23/42/66/370234266.db2.gz IPJUXIPMIIAGAA-HOCLYGCPSA-N 2 1 252.446 3.371 50 0 CGAAMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC000097212701 370234269 /nfs/dbraw/zinc/23/42/69/370234269.db2.gz IPJUXIPMIIAGAA-HOCLYGCPSA-N 2 1 252.446 3.371 50 0 CGAAMP c1ccc2cc(C[NH2+]CCC[NH+]3CCC3)ccc2c1 ZINC000095452895 370197050 /nfs/dbraw/zinc/19/70/50/370197050.db2.gz NKEWRLXBLYYGTF-UHFFFAOYSA-N 2 1 254.377 3.025 50 0 CGAAMP C[C@@H](C[N@H+](C)CCCc1[nH+]ccn1C)c1ccccc1 ZINC000216059739 376156674 /nfs/dbraw/zinc/15/66/74/376156674.db2.gz HLHSMTGODBOYFT-HNNXBMFYSA-N 2 1 271.408 3.088 50 0 CGAAMP C[C@@H](C[N@@H+](C)CCCc1[nH+]ccn1C)c1ccccc1 ZINC000216059739 376156679 /nfs/dbraw/zinc/15/66/79/376156679.db2.gz HLHSMTGODBOYFT-HNNXBMFYSA-N 2 1 271.408 3.088 50 0 CGAAMP CSCC[N@@H+](C)Cc1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000216053063 376157104 /nfs/dbraw/zinc/15/71/04/376157104.db2.gz PODDCYPUTSELLS-CYBMUJFWSA-N 2 1 266.454 3.104 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250869448 377567812 /nfs/dbraw/zinc/56/78/12/377567812.db2.gz YILNUZLPDPPEAS-YDHLFZDLSA-N 2 1 274.433 3.050 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250869448 377567818 /nfs/dbraw/zinc/56/78/18/377567818.db2.gz YILNUZLPDPPEAS-YDHLFZDLSA-N 2 1 274.433 3.050 50 0 CGAAMP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000090035198 392228599 /nfs/dbraw/zinc/22/85/99/392228599.db2.gz ZCHZLFSSQHGSOY-WBMJQRKESA-N 2 1 296.842 3.100 50 0 CGAAMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000094826226 397642003 /nfs/dbraw/zinc/64/20/03/397642003.db2.gz NGULXTPXNKFWCE-GFCCVEGCSA-N 2 1 268.351 3.101 50 0 CGAAMP C[NH+](C)CCCC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000032511789 927572822 /nfs/dbraw/zinc/57/28/22/927572822.db2.gz PFBOQKAGFDVUPD-UHFFFAOYSA-N 2 1 271.408 3.008 50 0 CGAAMP CC1(C)CC([NH2+]Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000000798142 368395099 /nfs/dbraw/zinc/39/50/99/368395099.db2.gz QDHFFBCXXNLYOA-UHFFFAOYSA-N 2 1 264.388 3.225 50 0 CGAAMP C=Cc1cccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC000067786858 369728819 /nfs/dbraw/zinc/72/88/19/369728819.db2.gz ZCTVZVIRMGKMQP-UHFFFAOYSA-N 2 1 270.420 3.247 50 0 CGAAMP C[C@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080339215 369987046 /nfs/dbraw/zinc/98/70/46/369987046.db2.gz FVYCCYLPBRUZCN-FUHWJXTLSA-N 2 1 297.446 3.168 50 0 CGAAMP C[C@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000080339215 369987050 /nfs/dbraw/zinc/98/70/50/369987050.db2.gz FVYCCYLPBRUZCN-FUHWJXTLSA-N 2 1 297.446 3.168 50 0 CGAAMP CSc1ccccc1C[N@@H+](C)C[C@]1(C)CC[NH+](C)C1 ZINC000214983757 376144050 /nfs/dbraw/zinc/14/40/50/376144050.db2.gz KBKIWYOFCSCPJV-MRXNPFEDSA-N 2 1 278.465 3.182 50 0 CGAAMP CSc1ccccc1C[NH+](C)C[C@]1(C)CC[N@H+](C)C1 ZINC000214983757 376144054 /nfs/dbraw/zinc/14/40/54/376144054.db2.gz KBKIWYOFCSCPJV-MRXNPFEDSA-N 2 1 278.465 3.182 50 0 CGAAMP CSc1ccccc1C[NH+](C)C[C@]1(C)CC[N@@H+](C)C1 ZINC000214983757 376144061 /nfs/dbraw/zinc/14/40/61/376144061.db2.gz KBKIWYOFCSCPJV-MRXNPFEDSA-N 2 1 278.465 3.182 50 0 CGAAMP CC[N@H+](Cc1cc(C[NH+](C)C)cs1)C[C@H]1CCCCO1 ZINC000215040420 376144392 /nfs/dbraw/zinc/14/43/92/376144392.db2.gz VOYKAMUZMJEBFQ-OAHLLOKOSA-N 2 1 296.480 3.201 50 0 CGAAMP C[NH+](C)CC[C@@H]1CCCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072407459 176397732 /nfs/dbraw/zinc/39/77/32/176397732.db2.gz COEDSZUIQLVTSA-KRWDZBQOSA-N 2 1 285.435 3.474 50 0 CGAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577292 345790491 /nfs/dbraw/zinc/79/04/91/345790491.db2.gz WNPKZWMDHQEOKA-HBUWYVDXSA-N 2 1 285.435 3.029 50 0 CGAAMP CCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000002464037 368455724 /nfs/dbraw/zinc/45/57/24/368455724.db2.gz NMQFZHCFSBKKMR-UHFFFAOYSA-N 2 1 260.425 3.383 50 0 CGAAMP CCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000002464037 368455728 /nfs/dbraw/zinc/45/57/28/368455728.db2.gz NMQFZHCFSBKKMR-UHFFFAOYSA-N 2 1 260.425 3.383 50 0 CGAAMP c1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000032511599 368934329 /nfs/dbraw/zinc/93/43/29/368934329.db2.gz MSOIMAROVVKBGP-LJQANCHMSA-N 2 1 286.463 3.427 50 0 CGAAMP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000053385727 369484028 /nfs/dbraw/zinc/48/40/28/369484028.db2.gz ADKLAILQTBHSBI-MSOLQXFVSA-N 2 1 272.436 3.431 50 0 CGAAMP c1ccc(C[NH2+]CC[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000053385727 369484030 /nfs/dbraw/zinc/48/40/30/369484030.db2.gz ADKLAILQTBHSBI-MSOLQXFVSA-N 2 1 272.436 3.431 50 0 CGAAMP C[N@@H+](CCCNC(=[NH2+])Nc1ccccc1)Cc1ccccc1 ZINC000057752220 369545576 /nfs/dbraw/zinc/54/55/76/369545576.db2.gz DHQDPGKRQJKTLO-UHFFFAOYSA-N 2 1 296.418 3.145 50 0 CGAAMP CCc1nc(C)c(C[N@H+]2CCC[C@H]2c2ccccn2)[nH]1 ZINC000067967081 369737310 /nfs/dbraw/zinc/73/73/10/369737310.db2.gz NUNXTIWXTRRPLQ-HNNXBMFYSA-N 2 1 270.380 3.013 50 0 CGAAMP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000090035202 370054000 /nfs/dbraw/zinc/05/40/00/370054000.db2.gz ZCHZLFSSQHGSOY-MLGOLLRUSA-N 2 1 296.842 3.100 50 0 CGAAMP Cc1ccc(N2CCC([NH2+][C@H](C)C3CCC3)CC2)[nH+]c1 ZINC000170042367 372634518 /nfs/dbraw/zinc/63/45/18/372634518.db2.gz HTTRESRPPSGPLG-CQSZACIVSA-N 2 1 273.424 3.137 50 0 CGAAMP C[C@@H](C[NH3+])Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000299768952 373612546 /nfs/dbraw/zinc/61/25/46/373612546.db2.gz HDFIDNWXALRBGT-ZDUSSCGKSA-N 2 1 290.432 3.106 50 0 CGAAMP Cc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)[nH]1 ZINC000216425228 376162616 /nfs/dbraw/zinc/16/26/16/376162616.db2.gz GCWUFCPSZXVWTH-QGZVFWFLSA-N 2 1 299.418 3.411 50 0 CGAAMP Cc1ncc(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)[nH]1 ZINC000216425228 376162625 /nfs/dbraw/zinc/16/26/25/376162625.db2.gz GCWUFCPSZXVWTH-QGZVFWFLSA-N 2 1 299.418 3.411 50 0 CGAAMP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000072140062 392196155 /nfs/dbraw/zinc/19/61/55/392196155.db2.gz FZKJWRDENQDZAH-GOSISDBHSA-N 2 1 272.436 3.386 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000670440459 543154680 /nfs/dbraw/zinc/15/46/80/543154680.db2.gz QVAUEQLKRQFIPI-MRXNPFEDSA-N 2 1 295.430 3.071 50 0 CGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000670440459 543154682 /nfs/dbraw/zinc/15/46/82/543154682.db2.gz QVAUEQLKRQFIPI-MRXNPFEDSA-N 2 1 295.430 3.071 50 0 CGAAMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC2(C)C)C[C@H](C)O1 ZINC000095967500 288159871 /nfs/dbraw/zinc/15/98/71/288159871.db2.gz XALMIQUSRCSBKI-OWCLPIDISA-N 2 1 282.472 3.044 50 0 CGAAMP [NH3+][C@H]1CCCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000082133908 295333416 /nfs/dbraw/zinc/33/34/16/295333416.db2.gz JJHHCGLNAWZMIT-LBPRGKRZSA-N 2 1 275.783 3.206 50 0 CGAAMP c1ccn(CCC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001529174895 938071375 /nfs/dbraw/zinc/07/13/75/938071375.db2.gz YDUUBILOXIZWTJ-GOSISDBHSA-N 2 1 289.467 3.076 50 0 CGAAMP COc1ccc([C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000095986771 185056815 /nfs/dbraw/zinc/05/68/15/185056815.db2.gz MPIPCQLTAVKIJU-HLLBOEOZSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000095986771 185056816 /nfs/dbraw/zinc/05/68/16/185056816.db2.gz MPIPCQLTAVKIJU-HLLBOEOZSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000095986771 185056817 /nfs/dbraw/zinc/05/68/17/185056817.db2.gz MPIPCQLTAVKIJU-HLLBOEOZSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000095986771 185056818 /nfs/dbraw/zinc/05/68/18/185056818.db2.gz MPIPCQLTAVKIJU-HLLBOEOZSA-N 2 1 290.451 3.213 50 0 CGAAMP C[C@H]([NH2+]C1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557288 346274247 /nfs/dbraw/zinc/27/42/47/346274247.db2.gz NSDLRXFGHMZGKH-KBPBESRZSA-N 2 1 282.497 3.125 50 0 CGAAMP C1=C[C@@H]2[C@@H](C[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000107082908 186160107 /nfs/dbraw/zinc/16/01/07/186160107.db2.gz OZCZQLILAHNLPT-QRQLOZEOSA-N 2 1 282.431 3.205 50 0 CGAAMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000003207461 368496077 /nfs/dbraw/zinc/49/60/77/368496077.db2.gz HRLJEQMOQMTHFP-RLFYNMQTSA-N 2 1 290.451 3.292 50 0 CGAAMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000067674513 369723735 /nfs/dbraw/zinc/72/37/35/369723735.db2.gz HYCITFGOMOSIFC-GOSISDBHSA-N 2 1 272.436 3.187 50 0 CGAAMP [NH3+]CCc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000072429375 369819655 /nfs/dbraw/zinc/81/96/55/369819655.db2.gz WKHJUFWJOKHHFX-QGZVFWFLSA-N 2 1 298.405 3.316 50 0 CGAAMP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080339220 369986646 /nfs/dbraw/zinc/98/66/46/369986646.db2.gz FVYCCYLPBRUZCN-WMZOPIPTSA-N 2 1 297.446 3.168 50 0 CGAAMP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000080339220 369986648 /nfs/dbraw/zinc/98/66/48/369986648.db2.gz FVYCCYLPBRUZCN-WMZOPIPTSA-N 2 1 297.446 3.168 50 0 CGAAMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000097038867 370216352 /nfs/dbraw/zinc/21/63/52/370216352.db2.gz XLQWRAZBFROFPJ-HDMKZQKVSA-N 2 1 289.467 3.197 50 0 CGAAMP C[N@@H+](Cc1cccc(OCCC[NH3+])c1)C1CCCCC1 ZINC000299796837 373613842 /nfs/dbraw/zinc/61/38/42/373613842.db2.gz PWACRCQWDLJYGB-UHFFFAOYSA-N 2 1 276.424 3.179 50 0 CGAAMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000240551622 376776204 /nfs/dbraw/zinc/77/62/04/376776204.db2.gz GUYBGSUMBRUEQS-ZBFHGGJFSA-N 2 1 276.424 3.177 50 0 CGAAMP c1ccc2c(c1)CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000257191314 377795315 /nfs/dbraw/zinc/79/53/15/377795315.db2.gz PWYLXUBIPYZXPU-UHFFFAOYSA-N 2 1 284.447 3.357 50 0 CGAAMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000216332456 392989969 /nfs/dbraw/zinc/98/99/69/392989969.db2.gz NSFNKJKDMCIFLI-KBMXLJTQSA-N 2 1 252.446 3.131 50 0 CGAAMP COC(C)(C)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020524493 171237246 /nfs/dbraw/zinc/23/72/46/171237246.db2.gz PBHMIPYGRFHEKR-CQSZACIVSA-N 2 1 270.461 3.044 50 0 CGAAMP Cn1ccc2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+](C)C)cc21 ZINC000072430242 618672239 /nfs/dbraw/zinc/67/22/39/618672239.db2.gz VSPDGPDWDYCYOB-GOSISDBHSA-N 2 1 299.462 3.485 50 0 CGAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]C1(c2cc(F)cc(F)c2)CC1 ZINC000584895427 346723113 /nfs/dbraw/zinc/72/31/13/346723113.db2.gz XXFYMVOLHGLWMH-NSHDSACASA-N 2 1 291.345 3.137 50 0 CGAAMP c1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000067489692 369717374 /nfs/dbraw/zinc/71/73/74/369717374.db2.gz BUSPMALNNPHGDE-LJQANCHMSA-N 2 1 280.415 3.415 50 0 CGAAMP CCc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000065420789 369676085 /nfs/dbraw/zinc/67/60/85/369676085.db2.gz XNDLNXFTXZFZGY-CQSZACIVSA-N 2 1 263.429 3.394 50 0 CGAAMP C[NH+](C)Cc1csc(C[N@H+](C)Cc2ccoc2)c1 ZINC000219278543 376198868 /nfs/dbraw/zinc/19/88/68/376198868.db2.gz GXGZOFNHXMHJDC-UHFFFAOYSA-N 2 1 264.394 3.035 50 0 CGAAMP C[NH+](C)Cc1csc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000219278543 376198874 /nfs/dbraw/zinc/19/88/74/376198874.db2.gz GXGZOFNHXMHJDC-UHFFFAOYSA-N 2 1 264.394 3.035 50 0 CGAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2ccsc2)CC1 ZINC000097394136 370241584 /nfs/dbraw/zinc/24/15/84/370241584.db2.gz AQUXZEFOSNWOTN-UHFFFAOYSA-N 2 1 275.421 3.165 50 0 CGAAMP C[C@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371247 217173019 /nfs/dbraw/zinc/17/30/19/217173019.db2.gz FLWZGJUBMGLTBT-KGLIPLIRSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1nccs1 ZINC000344371247 217173022 /nfs/dbraw/zinc/17/30/22/217173022.db2.gz FLWZGJUBMGLTBT-KGLIPLIRSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000344371247 217173023 /nfs/dbraw/zinc/17/30/23/217173023.db2.gz FLWZGJUBMGLTBT-KGLIPLIRSA-N 2 1 281.469 3.053 50 0 CGAAMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1nccs1 ZINC000344371247 217173025 /nfs/dbraw/zinc/17/30/25/217173025.db2.gz FLWZGJUBMGLTBT-KGLIPLIRSA-N 2 1 281.469 3.053 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000192740281 375784792 /nfs/dbraw/zinc/78/47/92/375784792.db2.gz SWXLIANDUVVVFA-HNNXBMFYSA-N 2 1 292.386 3.409 50 0 CGAAMP C1=C[C@@H]2[C@@H](C[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000216290093 376160409 /nfs/dbraw/zinc/16/04/09/376160409.db2.gz OZCZQLILAHNLPT-BHIYHBOVSA-N 2 1 282.431 3.205 50 0 CGAAMP C1=C[C@H]2[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000216290048 376161765 /nfs/dbraw/zinc/16/17/65/376161765.db2.gz OZCZQLILAHNLPT-QXAKKESOSA-N 2 1 282.431 3.205 50 0 CGAAMP CCOc1ccccc1[C@H](CC)[NH2+]C1CC[NH+](C)CC1 ZINC000095421548 392242981 /nfs/dbraw/zinc/24/29/81/392242981.db2.gz SRQFZUWVOWMIPY-INIZCTEOSA-N 2 1 276.424 3.220 50 0 CGAAMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000216332494 392989281 /nfs/dbraw/zinc/98/92/81/392989281.db2.gz NSFNKJKDMCIFLI-BMFZPTHFSA-N 2 1 252.446 3.131 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000670440458 543154796 /nfs/dbraw/zinc/15/47/96/543154796.db2.gz QVAUEQLKRQFIPI-INIZCTEOSA-N 2 1 295.430 3.071 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000670440458 543154798 /nfs/dbraw/zinc/15/47/98/543154798.db2.gz QVAUEQLKRQFIPI-INIZCTEOSA-N 2 1 295.430 3.071 50 0 CGAAMP CC(C)(C)c1cc(Cl)ccc1OCCCC[NH2+]CC[NH3+] ZINC000039960849 174179618 /nfs/dbraw/zinc/17/96/18/174179618.db2.gz PDKKPWGNWYAFQV-UHFFFAOYSA-N 2 1 298.858 3.345 50 0 CGAAMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)oc1C ZINC000072411357 176398442 /nfs/dbraw/zinc/39/84/42/176398442.db2.gz ZOYBSDVMGXJJCS-HNNXBMFYSA-N 2 1 264.413 3.203 50 0 CGAAMP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)oc1C ZINC000072411357 176398443 /nfs/dbraw/zinc/39/84/43/176398443.db2.gz ZOYBSDVMGXJJCS-HNNXBMFYSA-N 2 1 264.413 3.203 50 0 CGAAMP C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096500632 278365331 /nfs/dbraw/zinc/36/53/31/278365331.db2.gz PZUJCWBWZXOFPA-OWCLPIDISA-N 2 1 287.451 3.385 50 0 CGAAMP C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096500632 278365333 /nfs/dbraw/zinc/36/53/33/278365333.db2.gz PZUJCWBWZXOFPA-OWCLPIDISA-N 2 1 287.451 3.385 50 0 CGAAMP Cc1ccc2ncccc2c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072151493 281171368 /nfs/dbraw/zinc/17/13/68/281171368.db2.gz OPSWTJQFLGBYQV-MRXNPFEDSA-N 2 1 297.446 3.459 50 0 CGAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000584890302 346722454 /nfs/dbraw/zinc/72/24/54/346722454.db2.gz USRGXHGIJVFJKB-OAHLLOKOSA-N 2 1 287.432 3.166 50 0 CGAAMP C[N@H+](Cc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000000236337 368321952 /nfs/dbraw/zinc/32/19/52/368321952.db2.gz MSCJNBMJTVBKDO-UHFFFAOYSA-N 2 1 268.404 3.366 50 0 CGAAMP C[N@@H+](Cc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000000236337 368321955 /nfs/dbraw/zinc/32/19/55/368321955.db2.gz MSCJNBMJTVBKDO-UHFFFAOYSA-N 2 1 268.404 3.366 50 0 CGAAMP Cc1cccc2c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c[nH]c21 ZINC000067724884 369726170 /nfs/dbraw/zinc/72/61/70/369726170.db2.gz GGVJASVFCOTOOH-UHFFFAOYSA-N 2 1 283.419 3.052 50 0 CGAAMP Clc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000077471909 369946758 /nfs/dbraw/zinc/94/67/58/369946758.db2.gz HWNYDUNJXGBYMJ-UHFFFAOYSA-N 2 1 287.794 3.057 50 0 CGAAMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000170591390 372639966 /nfs/dbraw/zinc/63/99/66/372639966.db2.gz GBFUMLIYPUJINQ-UHFFFAOYSA-N 2 1 278.440 3.167 50 0 CGAAMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000170591390 372639973 /nfs/dbraw/zinc/63/99/73/372639973.db2.gz GBFUMLIYPUJINQ-UHFFFAOYSA-N 2 1 278.440 3.167 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000575547348 377917673 /nfs/dbraw/zinc/91/76/73/377917673.db2.gz ZWTGYEMGTMPFSS-KRWDZBQOSA-N 2 1 296.418 3.301 50 0 CGAAMP C[N@H+](Cc1cccc2ccccc21)CC1CC[NH2+]CC1 ZINC000094010625 184749901 /nfs/dbraw/zinc/74/99/01/184749901.db2.gz BEFVMXZVIZIXMR-UHFFFAOYSA-N 2 1 268.404 3.271 50 0 CGAAMP CCN(Cc1cc(F)cc(Cl)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000215493872 392987666 /nfs/dbraw/zinc/98/76/66/392987666.db2.gz BKEGSAULXBIHSB-LBPRGKRZSA-N 2 1 284.806 3.253 50 0 CGAAMP CC[NH+](Cc1cc(F)cc(Cl)c1)C[C@H]1CC[N@H+](C)C1 ZINC000215493872 392987692 /nfs/dbraw/zinc/98/76/92/392987692.db2.gz BKEGSAULXBIHSB-LBPRGKRZSA-N 2 1 284.806 3.253 50 0 CGAAMP CC[NH+](Cc1cc(F)cc(Cl)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000215493872 392987701 /nfs/dbraw/zinc/98/77/01/392987701.db2.gz BKEGSAULXBIHSB-LBPRGKRZSA-N 2 1 284.806 3.253 50 0 CGAAMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000071839253 176274972 /nfs/dbraw/zinc/27/49/72/176274972.db2.gz HNMBULFIVRPJBC-UHFFFAOYSA-N 2 1 298.434 3.041 50 0 CGAAMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)oc1C ZINC000072411356 176398649 /nfs/dbraw/zinc/39/86/49/176398649.db2.gz ZOYBSDVMGXJJCS-OAHLLOKOSA-N 2 1 264.413 3.203 50 0 CGAAMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)oc1C ZINC000072411356 176398651 /nfs/dbraw/zinc/39/86/51/176398651.db2.gz ZOYBSDVMGXJJCS-OAHLLOKOSA-N 2 1 264.413 3.203 50 0 CGAAMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)CC3 ZINC000097165823 281032290 /nfs/dbraw/zinc/03/22/90/281032290.db2.gz PTLMZEYXCKHWKI-SOUVJXGZSA-N 2 1 297.446 3.003 50 0 CGAAMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000095974231 185050008 /nfs/dbraw/zinc/05/00/08/185050008.db2.gz VKUNOHLYEAHMJT-UXLLHSPISA-N 2 1 273.424 3.139 50 0 CGAAMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000095974231 185050010 /nfs/dbraw/zinc/05/00/10/185050010.db2.gz VKUNOHLYEAHMJT-UXLLHSPISA-N 2 1 273.424 3.139 50 0 CGAAMP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000097371154 345907506 /nfs/dbraw/zinc/90/75/06/345907506.db2.gz IQFMRHVWZIBDBH-RRFJBIMHSA-N 2 1 282.497 3.125 50 0 CGAAMP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195558854 346273853 /nfs/dbraw/zinc/27/38/53/346273853.db2.gz IQFMRHVWZIBDBH-ZNMIVQPWSA-N 2 1 282.497 3.125 50 0 CGAAMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000019912855 368781523 /nfs/dbraw/zinc/78/15/23/368781523.db2.gz YSMLZZYPBHOMBN-HNNXBMFYSA-N 2 1 276.424 3.049 50 0 CGAAMP Cc1cc(N2CCC[N@@H+](C/C=C/c3ccco3)CC2)cc[nH+]1 ZINC000065470612 369676774 /nfs/dbraw/zinc/67/67/74/369676774.db2.gz SDDJQJJASMDNAO-GORDUTHDSA-N 2 1 297.402 3.209 50 0 CGAAMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000067674512 369723855 /nfs/dbraw/zinc/72/38/55/369723855.db2.gz HYCITFGOMOSIFC-SFHVURJKSA-N 2 1 272.436 3.187 50 0 CGAAMP [NH3+]CCc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000072429376 369819253 /nfs/dbraw/zinc/81/92/53/369819253.db2.gz WKHJUFWJOKHHFX-KRWDZBQOSA-N 2 1 298.405 3.316 50 0 CGAAMP Cc1ccccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000097230559 370234899 /nfs/dbraw/zinc/23/48/99/370234899.db2.gz ROPQOVKPKNOTHF-UHFFFAOYSA-N 2 1 258.409 3.055 50 0 CGAAMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000095420214 370188947 /nfs/dbraw/zinc/18/89/47/370188947.db2.gz LFBQTRYLMBTDFV-LSDHHAIUSA-N 2 1 250.430 3.195 50 0 CGAAMP CC(C)[N@H+]1CC[C@@H](C[NH+](C)CCSc2ccccc2)C1 ZINC000299794149 373613271 /nfs/dbraw/zinc/61/32/71/373613271.db2.gz IZRPOXGMGSUIKF-INIZCTEOSA-N 2 1 292.492 3.441 50 0 CGAAMP CC(C)[NH+]1CC[C@@H](C[N@H+](C)CCSc2ccccc2)C1 ZINC000299794149 373613282 /nfs/dbraw/zinc/61/32/82/373613282.db2.gz IZRPOXGMGSUIKF-INIZCTEOSA-N 2 1 292.492 3.441 50 0 CGAAMP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)CCSc2ccccc2)C1 ZINC000299794149 373613288 /nfs/dbraw/zinc/61/32/88/373613288.db2.gz IZRPOXGMGSUIKF-INIZCTEOSA-N 2 1 292.492 3.441 50 0 CGAAMP Cc1cnccc1C[N@@H+](C)Cc1cc(C[NH+](C)C)cs1 ZINC000215713823 376150260 /nfs/dbraw/zinc/15/02/60/376150260.db2.gz MDYQUIONRMIPLU-UHFFFAOYSA-N 2 1 289.448 3.145 50 0 CGAAMP Cc1cnccc1C[N@H+](C)Cc1cc(C[NH+](C)C)cs1 ZINC000215713823 376150267 /nfs/dbraw/zinc/15/02/67/376150267.db2.gz MDYQUIONRMIPLU-UHFFFAOYSA-N 2 1 289.448 3.145 50 0 CGAAMP C[N@H+]1CC[C@@](C)(C[NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000952983715 616347237 /nfs/dbraw/zinc/34/72/37/616347237.db2.gz QKSHVURROZPGAP-IBGZPJMESA-N 2 1 295.430 3.180 50 0 CGAAMP COCCC[C@@H]1CCCC[N@H+]1CC1CC[NH+](C(C)C)CC1 ZINC000952869754 800686096 /nfs/dbraw/zinc/68/60/96/800686096.db2.gz NZXOYHYYMZHZFN-SFHVURJKSA-N 2 1 296.499 3.388 50 0 CGAAMP c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000604399761 348118999 /nfs/dbraw/zinc/11/89/99/348118999.db2.gz XYIRDIWHEQVFMV-DLBZAZTESA-N 2 1 258.409 3.041 50 0 biogenic CGAAMP c1cncc(C[NH2+]C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000019735494 368762054 /nfs/dbraw/zinc/76/20/54/368762054.db2.gz XMADRZXWUCBVKU-QGZVFWFLSA-N 2 1 287.451 3.216 50 0 CGAAMP c1cncc(C[NH2+]C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000019735494 368762058 /nfs/dbraw/zinc/76/20/58/368762058.db2.gz XMADRZXWUCBVKU-QGZVFWFLSA-N 2 1 287.451 3.216 50 0 CGAAMP COc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000019912861 368781451 /nfs/dbraw/zinc/78/14/51/368781451.db2.gz YXJOJKZIRQOMLN-HNNXBMFYSA-N 2 1 276.424 3.049 50 0 CGAAMP COc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000019912861 368781455 /nfs/dbraw/zinc/78/14/55/368781455.db2.gz YXJOJKZIRQOMLN-HNNXBMFYSA-N 2 1 276.424 3.049 50 0 CGAAMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000065371377 369669423 /nfs/dbraw/zinc/66/94/23/369669423.db2.gz JWSHXTWBXWHCKH-LBPRGKRZSA-N 2 1 286.341 3.266 50 0 CGAAMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000065375759 369670634 /nfs/dbraw/zinc/67/06/34/369670634.db2.gz BPQQCPKAIZBHNI-KRWDZBQOSA-N 2 1 272.436 3.431 50 0 CGAAMP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000067693181 369725173 /nfs/dbraw/zinc/72/51/73/369725173.db2.gz YWIYTUSAHDSIER-UHFFFAOYSA-N 2 1 290.357 3.316 50 0 CGAAMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000095419520 370187049 /nfs/dbraw/zinc/18/70/49/370187049.db2.gz YEQQYJMZDPPRSZ-AWEZNQCLSA-N 2 1 298.377 3.423 50 0 CGAAMP C[N@@H+](Cc1cncn1C1CC1)[C@@H](c1ccccn1)C1CC1 ZINC000252488282 377631320 /nfs/dbraw/zinc/63/13/20/377631320.db2.gz IOMLOUUQBHNVFY-QGZVFWFLSA-N 2 1 282.391 3.196 50 0 CGAAMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000037248742 173061360 /nfs/dbraw/zinc/06/13/60/173061360.db2.gz NSFNKJKDMCIFLI-VNQPRFMTSA-N 2 1 252.446 3.131 50 0 CGAAMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000240540904 279039802 /nfs/dbraw/zinc/03/98/02/279039802.db2.gz GQDCJAMDGIUEGF-OAHLLOKOSA-N 2 1 284.513 3.326 50 0 CGAAMP CC[NH+](C)C[C@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000240540904 279039803 /nfs/dbraw/zinc/03/98/03/279039803.db2.gz GQDCJAMDGIUEGF-OAHLLOKOSA-N 2 1 284.513 3.326 50 0 CGAAMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000240540904 279039805 /nfs/dbraw/zinc/03/98/05/279039805.db2.gz GQDCJAMDGIUEGF-OAHLLOKOSA-N 2 1 284.513 3.326 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC001506398789 937989549 /nfs/dbraw/zinc/98/95/49/937989549.db2.gz GCHNBGMAJWBNNW-ZDUSSCGKSA-N 2 1 291.826 3.320 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cccc(SC)c1 ZINC001506406587 937989950 /nfs/dbraw/zinc/98/99/50/937989950.db2.gz LUNBHRNYYPTWBZ-ZDUSSCGKSA-N 2 1 289.448 3.346 50 0 CGAAMP CC[NH+](CC)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000057364358 369536714 /nfs/dbraw/zinc/53/67/14/369536714.db2.gz IWRQENNACKYQTN-UHFFFAOYSA-N 2 1 254.805 3.162 50 0 CGAAMP Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057681524 369545014 /nfs/dbraw/zinc/54/50/14/369545014.db2.gz KWYMUFDXOHWFJH-UHFFFAOYSA-N 2 1 296.414 3.146 50 0 CGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000097532571 370244858 /nfs/dbraw/zinc/24/48/58/370244858.db2.gz MLIZAUQGTMPKGT-UHFFFAOYSA-N 2 1 297.324 3.342 50 0 CGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000097532571 370244865 /nfs/dbraw/zinc/24/48/65/370244865.db2.gz MLIZAUQGTMPKGT-UHFFFAOYSA-N 2 1 297.324 3.342 50 0 CGAAMP CSCC[N@@H+](C)Cc1ccc([C@H](C)[NH+](C)C)cc1 ZINC000216053020 376156286 /nfs/dbraw/zinc/15/62/86/376156286.db2.gz PODDCYPUTSELLS-ZDUSSCGKSA-N 2 1 266.454 3.104 50 0 CGAAMP CCc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670448392 543155774 /nfs/dbraw/zinc/15/57/74/543155774.db2.gz CBCFKJBBAUCHBT-HNNXBMFYSA-N 2 1 287.407 3.259 50 0 CGAAMP CCc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670448392 543155775 /nfs/dbraw/zinc/15/57/75/543155775.db2.gz CBCFKJBBAUCHBT-HNNXBMFYSA-N 2 1 287.407 3.259 50 0 CGAAMP C/C(=C\c1ccccc1)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000004987606 170049711 /nfs/dbraw/zinc/04/97/11/170049711.db2.gz KTNFWZCAMIPYSY-FYWRMAATSA-N 2 1 258.409 3.116 50 0 CGAAMP C/C(=C\c1ccccc1)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000004987606 170049712 /nfs/dbraw/zinc/04/97/12/170049712.db2.gz KTNFWZCAMIPYSY-FYWRMAATSA-N 2 1 258.409 3.116 50 0 CGAAMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000078552936 177353412 /nfs/dbraw/zinc/35/34/12/177353412.db2.gz BVFHZLIBEYYLBI-UHFFFAOYSA-N 2 1 284.403 3.134 50 0 CGAAMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000187623393 534054339 /nfs/dbraw/zinc/05/43/39/534054339.db2.gz BSWKJXQJFADSNZ-LBPRGKRZSA-N 2 1 266.816 3.127 50 0 CGAAMP COCC1(C[NH2+][C@@H](C)C[NH+]2CCCCCC2)CCCC1 ZINC001506405480 937989513 /nfs/dbraw/zinc/98/95/13/937989513.db2.gz JMORXFIBUXXMBO-INIZCTEOSA-N 2 1 282.472 3.047 50 0 CGAAMP C[NH+]1CCC([NH2+][C@@H]2CCCSc3ccccc32)CC1 ZINC000098020450 282711620 /nfs/dbraw/zinc/71/16/20/282711620.db2.gz XCFHUQXQGWDHNP-OAHLLOKOSA-N 2 1 276.449 3.297 50 0 CGAAMP CCOc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000798143 368394836 /nfs/dbraw/zinc/39/48/36/368394836.db2.gz IXSBXJAOUMNUOC-UHFFFAOYSA-N 2 1 290.451 3.484 50 0 CGAAMP CC[NH+](CC)CCC[NH2+]Cc1ccc(SC)cc1 ZINC000013734479 368664324 /nfs/dbraw/zinc/66/43/24/368664324.db2.gz QISSGZCKABHJRB-UHFFFAOYSA-N 2 1 266.454 3.230 50 0 CGAAMP CC(C)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067855055 369733505 /nfs/dbraw/zinc/73/35/05/369733505.db2.gz UJGDEHCFVTXELU-UHFFFAOYSA-N 2 1 288.435 3.049 50 0 CGAAMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c2ccccc12 ZINC000097229203 370235718 /nfs/dbraw/zinc/23/57/18/370235718.db2.gz YLUQFQCACIJUHN-HIFRSBDPSA-N 2 1 284.403 3.160 50 0 CGAAMP C[NH+]1CCC([NH2+][C@H]2CCCSc3ccccc32)CC1 ZINC000098020451 541996180 /nfs/dbraw/zinc/99/61/80/541996180.db2.gz XCFHUQXQGWDHNP-HNNXBMFYSA-N 2 1 276.449 3.297 50 0 CGAAMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000225639017 376319634 /nfs/dbraw/zinc/31/96/34/376319634.db2.gz QHNBXKJCOJBFDQ-DOMZBBRYSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000225639017 376319640 /nfs/dbraw/zinc/31/96/40/376319640.db2.gz QHNBXKJCOJBFDQ-DOMZBBRYSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc(F)cc2Cl)CC[NH+]1C ZINC000225639017 376319647 /nfs/dbraw/zinc/31/96/47/376319647.db2.gz QHNBXKJCOJBFDQ-DOMZBBRYSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(F)cc2Cl)CC[NH+]1C ZINC000225639017 376319651 /nfs/dbraw/zinc/31/96/51/376319651.db2.gz QHNBXKJCOJBFDQ-DOMZBBRYSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])Cc2ccco2)C[C@H]1C ZINC000239415307 376773635 /nfs/dbraw/zinc/77/36/35/376773635.db2.gz UDTRLIVLFCHUOX-KFWWJZLASA-N 2 1 264.413 3.255 50 0 CGAAMP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000241447035 376778853 /nfs/dbraw/zinc/77/88/53/376778853.db2.gz NQRKRMQCMMKSOK-OSGQAZFXSA-N 2 1 284.447 3.253 50 0 CGAAMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)cc1 ZINC000251032628 377572329 /nfs/dbraw/zinc/57/23/29/377572329.db2.gz APUITFHRYSJQFN-RYRKJORJSA-N 2 1 288.435 3.363 50 0 CGAAMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000097657327 534790681 /nfs/dbraw/zinc/79/06/81/534790681.db2.gz UHUAGSZYCLPUJP-QGZVFWFLSA-N 2 1 280.415 3.443 50 0 CGAAMP c1ccn(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001529174904 938071326 /nfs/dbraw/zinc/07/13/26/938071326.db2.gz YDUUBILOXIZWTJ-SFHVURJKSA-N 2 1 289.467 3.076 50 0 CGAAMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000097657320 230386944 /nfs/dbraw/zinc/38/69/44/230386944.db2.gz XSSBCYUVUJSWMF-KRWDZBQOSA-N 2 1 283.419 3.151 50 0 CGAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC000097657320 230386945 /nfs/dbraw/zinc/38/69/45/230386945.db2.gz XSSBCYUVUJSWMF-KRWDZBQOSA-N 2 1 283.419 3.151 50 0 CGAAMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000584892165 346722321 /nfs/dbraw/zinc/72/23/21/346722321.db2.gz DAUZCRIYIWBXNH-AWEZNQCLSA-N 2 1 296.418 3.284 50 0 CGAAMP CCCC(CCC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019112 369142090 /nfs/dbraw/zinc/14/20/90/369142090.db2.gz HAAOQISWKJIHJA-VHRNVKJDSA-N 2 1 252.446 3.418 50 0 CGAAMP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000061327897 369597888 /nfs/dbraw/zinc/59/78/88/369597888.db2.gz XJIYDORLYQMEDX-HNNXBMFYSA-N 2 1 276.449 3.342 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000575547310 377917914 /nfs/dbraw/zinc/91/79/14/377917914.db2.gz ZCEJAEPVNADWNC-QGZVFWFLSA-N 2 1 298.434 3.245 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000575547310 377917918 /nfs/dbraw/zinc/91/79/18/377917918.db2.gz ZCEJAEPVNADWNC-QGZVFWFLSA-N 2 1 298.434 3.245 50 0 CGAAMP [NH3+][C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1C1CC1 ZINC000095362918 274963290 /nfs/dbraw/zinc/96/32/90/274963290.db2.gz LJDMKRYYKBCMQH-KGLIPLIRSA-N 2 1 287.794 3.062 50 0 CGAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]C1(Cc2ccccc2C)CC1 ZINC000534590106 328317847 /nfs/dbraw/zinc/31/78/47/328317847.db2.gz OSLUQMWRTLHQHY-HNNXBMFYSA-N 2 1 283.419 3.253 50 0 CGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534661957 328349819 /nfs/dbraw/zinc/34/98/19/328349819.db2.gz JABZGZJDIBDKQS-HNNXBMFYSA-N 2 1 283.419 3.199 50 0 CGAAMP Cc1[nH+]cn(C[C@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1C ZINC000089547603 370043714 /nfs/dbraw/zinc/04/37/14/370043714.db2.gz ZRDCOVYMMNXYMQ-ZDUSSCGKSA-N 2 1 296.418 3.202 50 0 CGAAMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047689 370218571 /nfs/dbraw/zinc/21/85/71/370218571.db2.gz CHILMVDCSKVBOM-JQWIXIFHSA-N 2 1 286.391 3.170 50 0 CGAAMP C[NH+](C)Cc1csc(C[N@@H+](C)C2CCSCC2)c1 ZINC000097179445 370232693 /nfs/dbraw/zinc/23/26/93/370232693.db2.gz ADAPLNZFTYDYCH-UHFFFAOYSA-N 2 1 284.494 3.137 50 0 CGAAMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)cc1 ZINC000251032627 377572377 /nfs/dbraw/zinc/57/23/77/377572377.db2.gz APUITFHRYSJQFN-BQFCYCMXSA-N 2 1 288.435 3.363 50 0 CGAAMP CC1(C)CC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000000139648 391906254 /nfs/dbraw/zinc/90/62/54/391906254.db2.gz IOCLFIGHHOKNTE-UHFFFAOYSA-N 3 1 295.515 3.194 50 0 CGAAMP Cc1[nH+]ccn1CC1CC[NH+](C[C@H](C)C(F)(F)F)CC1 ZINC000215429179 392987295 /nfs/dbraw/zinc/98/72/95/392987295.db2.gz IGNNBHMICWCGEL-NSHDSACASA-N 2 1 289.345 3.102 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095420475 275070888 /nfs/dbraw/zinc/07/08/88/275070888.db2.gz YILNUZLPDPPEAS-NFAWXSAZSA-N 2 1 274.433 3.050 50 0 CGAAMP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095420475 275070889 /nfs/dbraw/zinc/07/08/89/275070889.db2.gz YILNUZLPDPPEAS-NFAWXSAZSA-N 2 1 274.433 3.050 50 0 CGAAMP CSC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCC1 ZINC000824891360 800472573 /nfs/dbraw/zinc/47/25/73/800472573.db2.gz DEWDJDDJHKCSJI-AWEZNQCLSA-N 2 1 270.486 3.126 50 0 CGAAMP CCc1[nH+]ccn1CCC[NH2+]CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000952861004 800684899 /nfs/dbraw/zinc/68/48/99/800684899.db2.gz WHINLCXHCDJPHM-HOTGVXAUSA-N 2 1 287.451 3.418 50 0 CGAAMP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080339212 369987088 /nfs/dbraw/zinc/98/70/88/369987088.db2.gz FVYCCYLPBRUZCN-SJLPKXTDSA-N 2 1 297.446 3.168 50 0 CGAAMP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000080339212 369987092 /nfs/dbraw/zinc/98/70/92/369987092.db2.gz FVYCCYLPBRUZCN-SJLPKXTDSA-N 2 1 297.446 3.168 50 0 CGAAMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047690 370218754 /nfs/dbraw/zinc/21/87/54/370218754.db2.gz CHILMVDCSKVBOM-PWSUYJOCSA-N 2 1 286.391 3.170 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000195546992 376111817 /nfs/dbraw/zinc/11/18/17/376111817.db2.gz JKGYDMBQKWPCFG-MRXNPFEDSA-N 2 1 287.382 3.210 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000195546992 376111823 /nfs/dbraw/zinc/11/18/23/376111823.db2.gz JKGYDMBQKWPCFG-MRXNPFEDSA-N 2 1 287.382 3.210 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000575545809 377917531 /nfs/dbraw/zinc/91/75/31/377917531.db2.gz JWWZCAGGGZRISK-KRWDZBQOSA-N 2 1 296.418 3.301 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000575545809 377917535 /nfs/dbraw/zinc/91/75/35/377917535.db2.gz JWWZCAGGGZRISK-KRWDZBQOSA-N 2 1 296.418 3.301 50 0 CGAAMP c1ccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000041720761 344973129 /nfs/dbraw/zinc/97/31/29/344973129.db2.gz GPLCQBIQPIYEGI-CYBMUJFWSA-N 2 1 267.376 3.131 50 0 CGAAMP Cc1ccc(CNC2=[NH+]CCC[NH2+]C23CCCCC3)cc1 ZINC000064459858 541888337 /nfs/dbraw/zinc/88/83/37/541888337.db2.gz GGHCTXAKRYPQSX-UHFFFAOYSA-N 2 1 285.435 3.179 50 0 CGAAMP CCCC[C@H]1C=CC[N@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000215155220 376146070 /nfs/dbraw/zinc/14/60/70/376146070.db2.gz PBXYQHAZPOXPKP-KRWDZBQOSA-N 2 1 258.409 3.118 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000575547349 377918107 /nfs/dbraw/zinc/91/81/07/377918107.db2.gz ZWTGYEMGTMPFSS-QGZVFWFLSA-N 2 1 296.418 3.301 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000670438876 543154879 /nfs/dbraw/zinc/15/48/79/543154879.db2.gz OFJWARLVLLJWTM-CQSZACIVSA-N 2 1 275.421 3.165 50 0 CGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000670438876 543154881 /nfs/dbraw/zinc/15/48/81/543154881.db2.gz OFJWARLVLLJWTM-CQSZACIVSA-N 2 1 275.421 3.165 50 0 CGAAMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C)o2)c1 ZINC000078552926 177353483 /nfs/dbraw/zinc/35/34/83/177353483.db2.gz RREMRLWXPGNNCE-UHFFFAOYSA-N 2 1 272.392 3.330 50 0 CGAAMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000095421934 273510957 /nfs/dbraw/zinc/51/09/57/273510957.db2.gz OPHFZYNZMJOWHF-KRWDZBQOSA-N 2 1 288.435 3.090 50 0 CGAAMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000097657328 534792226 /nfs/dbraw/zinc/79/22/26/534792226.db2.gz UHUAGSZYCLPUJP-KRWDZBQOSA-N 2 1 280.415 3.443 50 0 CGAAMP Cc1ccc(NCCC[NH2+]C/C=C/c2ccccc2)[nH+]c1 ZINC000952872299 800686431 /nfs/dbraw/zinc/68/64/31/800686431.db2.gz NLJRAZYTWMXUFH-WEVVVXLNSA-N 2 1 281.403 3.495 50 0 CGAAMP COc1ccccc1C[NH2+]CCC[NH2+]C1CCCCC1 ZINC000075108024 345495571 /nfs/dbraw/zinc/49/55/71/345495571.db2.gz COOBTHCHJAIEKE-UHFFFAOYSA-N 2 1 276.424 3.097 50 0 CGAAMP c1ccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000002734803 368473477 /nfs/dbraw/zinc/47/34/77/368473477.db2.gz ZYRFBJKAZWWPCP-UHFFFAOYSA-N 2 1 272.436 3.179 50 0 CGAAMP C([NH2+][C@H]1CCC[N@H+](CC2CCCCC2)C1)C1CC1 ZINC000032537386 368934833 /nfs/dbraw/zinc/93/48/33/368934833.db2.gz RAJCJEZPONMBKK-INIZCTEOSA-N 2 1 250.430 3.031 50 0 CGAAMP C([NH2+][C@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CC1 ZINC000032537386 368934836 /nfs/dbraw/zinc/93/48/36/368934836.db2.gz RAJCJEZPONMBKK-INIZCTEOSA-N 2 1 250.430 3.031 50 0 CGAAMP CCc1[nH+]ccn1CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000065420792 369675097 /nfs/dbraw/zinc/67/50/97/369675097.db2.gz XNDLNXFTXZFZGY-AWEZNQCLSA-N 2 1 263.429 3.394 50 0 CGAAMP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080339218 369987158 /nfs/dbraw/zinc/98/71/58/369987158.db2.gz FVYCCYLPBRUZCN-AEFFLSMTSA-N 2 1 297.446 3.168 50 0 CGAAMP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000080339218 369987163 /nfs/dbraw/zinc/98/71/63/369987163.db2.gz FVYCCYLPBRUZCN-AEFFLSMTSA-N 2 1 297.446 3.168 50 0 CGAAMP Cc1c2ccccc2oc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000097823157 370254681 /nfs/dbraw/zinc/25/46/81/370254681.db2.gz FLPFYERHMHLEID-UHFFFAOYSA-N 2 1 284.403 3.317 50 0 CGAAMP FC1(F)CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000277747590 193747203 /nfs/dbraw/zinc/74/72/03/193747203.db2.gz VVPRACGLSOVITB-UHFFFAOYSA-N 2 1 280.362 3.038 50 0 CGAAMP CC[N@H+](Cc1cc(C[NH+](C)C)cs1)Cc1cccnc1 ZINC000215838663 376152495 /nfs/dbraw/zinc/15/24/95/376152495.db2.gz XNOFLWJVBWSAPJ-UHFFFAOYSA-N 2 1 289.448 3.227 50 0 CGAAMP CC[N@@H+](Cc1cc(C[NH+](C)C)cs1)Cc1cccnc1 ZINC000215838663 376152500 /nfs/dbraw/zinc/15/25/00/376152500.db2.gz XNOFLWJVBWSAPJ-UHFFFAOYSA-N 2 1 289.448 3.227 50 0 CGAAMP c1cn(CCCC[NH+]2CCCCCC2)c(C2CC2)[nH+]1 ZINC000071749865 176259775 /nfs/dbraw/zinc/25/97/75/176259775.db2.gz AWEJHNDRRXICKX-UHFFFAOYSA-N 2 1 261.413 3.417 50 0 CGAAMP C[N@H+](Cc1ccsc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072145178 176324953 /nfs/dbraw/zinc/32/49/53/176324953.db2.gz JQCNIPUJHOAWDF-JKSUJKDBSA-N 2 1 278.465 3.444 50 0 CGAAMP C[NH+](Cc1ccsc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072145178 176324954 /nfs/dbraw/zinc/32/49/54/176324954.db2.gz JQCNIPUJHOAWDF-JKSUJKDBSA-N 2 1 278.465 3.444 50 0 CGAAMP C[NH+](Cc1ccsc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072145178 176324955 /nfs/dbraw/zinc/32/49/55/176324955.db2.gz JQCNIPUJHOAWDF-JKSUJKDBSA-N 2 1 278.465 3.444 50 0 CGAAMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000122052210 187012564 /nfs/dbraw/zinc/01/25/64/187012564.db2.gz MHGJGDFHKDUVLK-DXJOGWAWSA-N 2 1 290.426 3.362 50 0 CGAAMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000122052210 187012565 /nfs/dbraw/zinc/01/25/65/187012565.db2.gz MHGJGDFHKDUVLK-DXJOGWAWSA-N 2 1 290.426 3.362 50 0 CGAAMP Cc1c2cc(C)ccc2oc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426379655 372156303 /nfs/dbraw/zinc/15/63/03/372156303.db2.gz HHLVSEUWQVATQD-WNKDZCFJSA-N 2 1 296.414 3.232 50 0 CGAAMP c1coc(-c2ccccc2C[N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)c1 ZINC000426746095 372171006 /nfs/dbraw/zinc/17/10/06/372171006.db2.gz MGOLSJFUQXJGJH-ZBFHGGJFSA-N 2 1 282.387 3.130 50 0 CGAAMP c1coc(-c2ccccc2C[N@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)c1 ZINC000426746095 372171013 /nfs/dbraw/zinc/17/10/13/372171013.db2.gz MGOLSJFUQXJGJH-ZBFHGGJFSA-N 2 1 282.387 3.130 50 0 CGAAMP CCC[C@@H](C)[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192850467 375793886 /nfs/dbraw/zinc/79/38/86/375793886.db2.gz RTGXLNOPCGDEMK-UKRRQHHQSA-N 2 1 295.496 3.394 50 0 CGAAMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCF ZINC000248865959 377415722 /nfs/dbraw/zinc/41/57/22/377415722.db2.gz AXQQFKGITZRPCL-QLPKVWCKSA-N 2 1 278.415 3.092 50 0 CGAAMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)o1 ZINC000072143802 176324375 /nfs/dbraw/zinc/32/43/75/176324375.db2.gz NCFVFHWRZFVKKY-UHFFFAOYSA-N 2 1 285.391 3.004 50 0 CGAAMP Cc1ccc2ncccc2c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072151492 176327520 /nfs/dbraw/zinc/32/75/20/176327520.db2.gz OPSWTJQFLGBYQV-INIZCTEOSA-N 2 1 297.446 3.459 50 0 CGAAMP COc1ccc(C[N@@H+](C)C[C@@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000952973652 636775932 /nfs/dbraw/zinc/77/59/32/636775932.db2.gz YHPWQELKARVCAC-OAHLLOKOSA-N 2 1 290.451 3.167 50 0 CGAAMP CCc1[nH+]ccn1CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000952869199 800685203 /nfs/dbraw/zinc/68/52/03/800685203.db2.gz LYPFNHSHRWFYAL-OAHLLOKOSA-N 2 1 271.408 3.229 50 0 CGAAMP COc1ccc([C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000095986773 185055930 /nfs/dbraw/zinc/05/59/30/185055930.db2.gz MPIPCQLTAVKIJU-VYDXJSESSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000095986773 185055932 /nfs/dbraw/zinc/05/59/32/185055932.db2.gz MPIPCQLTAVKIJU-VYDXJSESSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000095986773 185055933 /nfs/dbraw/zinc/05/59/33/185055933.db2.gz MPIPCQLTAVKIJU-VYDXJSESSA-N 2 1 290.451 3.213 50 0 CGAAMP COc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000095986773 185055934 /nfs/dbraw/zinc/05/59/34/185055934.db2.gz MPIPCQLTAVKIJU-VYDXJSESSA-N 2 1 290.451 3.213 50 0 CGAAMP CCc1ccc(C[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)nc1 ZINC000067490888 369717048 /nfs/dbraw/zinc/71/70/48/369717048.db2.gz UJVITDUMTAHCTK-UHFFFAOYSA-N 2 1 289.467 3.385 50 0 CGAAMP CCc1ccc(C[N@@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)nc1 ZINC000067490888 369717054 /nfs/dbraw/zinc/71/70/54/369717054.db2.gz UJVITDUMTAHCTK-UHFFFAOYSA-N 2 1 289.467 3.385 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000575547306 377917457 /nfs/dbraw/zinc/91/74/57/377917457.db2.gz ZCEJAEPVNADWNC-KRWDZBQOSA-N 2 1 298.434 3.245 50 0 CGAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000575547306 377917461 /nfs/dbraw/zinc/91/74/61/377917461.db2.gz ZCEJAEPVNADWNC-KRWDZBQOSA-N 2 1 298.434 3.245 50 0 CGAAMP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000097165819 392262369 /nfs/dbraw/zinc/26/23/69/392262369.db2.gz RWNYUDJENYOZHB-YOEHRIQHSA-N 2 1 260.425 3.164 50 0 CGAAMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000130176100 392453879 /nfs/dbraw/zinc/45/38/79/392453879.db2.gz APUITFHRYSJQFN-JZXOWHBKSA-N 2 1 288.435 3.363 50 0 CGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCn1ccc2ccccc21 ZINC001506429677 937990045 /nfs/dbraw/zinc/99/00/45/937990045.db2.gz SVXASPWVFUBTOE-OAHLLOKOSA-N 2 1 296.418 3.079 50 0 CGAAMP CCc1[nH+]ccn1CCC[NH2+]C/C=C/c1ccc(OC)cc1 ZINC001506428957 937990078 /nfs/dbraw/zinc/99/00/78/937990078.db2.gz RTZYUPRTCJGTIH-GQCTYLIASA-N 2 1 299.418 3.147 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCCc2sccc2C1 ZINC000095975858 185051333 /nfs/dbraw/zinc/05/13/33/185051333.db2.gz BMZCZMKAGAVICL-UHFFFAOYSA-N 2 1 275.421 3.092 50 0 CGAAMP Cc1[nH+]ccn1CCC[N@H+]1CCCc2sccc2C1 ZINC000095975858 185051335 /nfs/dbraw/zinc/05/13/35/185051335.db2.gz BMZCZMKAGAVICL-UHFFFAOYSA-N 2 1 275.421 3.092 50 0 CGAAMP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000097371156 345907860 /nfs/dbraw/zinc/90/78/60/345907860.db2.gz IQFMRHVWZIBDBH-SOUVJXGZSA-N 2 1 282.497 3.125 50 0 CGAAMP CC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000000182373 368310134 /nfs/dbraw/zinc/31/01/34/368310134.db2.gz WYGHVCPXAVMMIQ-UHFFFAOYSA-N 2 1 286.463 3.425 50 0 CGAAMP C[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000000757056 368393402 /nfs/dbraw/zinc/39/34/02/368393402.db2.gz AHISZTGILZDGCJ-UHFFFAOYSA-N 2 1 287.234 3.220 50 0 CGAAMP CCc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000065461918 369677075 /nfs/dbraw/zinc/67/70/75/369677075.db2.gz ZPHVVZNZZDWLPT-OAHLLOKOSA-N 2 1 260.425 3.023 50 0 CGAAMP CCc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000065461918 369677081 /nfs/dbraw/zinc/67/70/81/369677081.db2.gz ZPHVVZNZZDWLPT-OAHLLOKOSA-N 2 1 260.425 3.023 50 0 CGAAMP CCc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000065461918 369677083 /nfs/dbraw/zinc/67/70/83/369677083.db2.gz ZPHVVZNZZDWLPT-OAHLLOKOSA-N 2 1 260.425 3.023 50 0 CGAAMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067805192 369730306 /nfs/dbraw/zinc/73/03/06/369730306.db2.gz AKEWKRCHNRULSN-UHFFFAOYSA-N 2 1 283.419 3.052 50 0 CGAAMP C[N@@H+](CCC1CCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095401444 370182660 /nfs/dbraw/zinc/18/26/60/370182660.db2.gz KGYLRXOZJSXTCD-UHFFFAOYSA-N 2 1 294.483 3.142 50 0 CGAAMP COC[C@H]1CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000097660341 370249912 /nfs/dbraw/zinc/24/99/12/370249912.db2.gz IFIRYSVJQAOZQX-HNNXBMFYSA-N 2 1 291.439 3.001 50 0 CGAAMP c1ccc([C@@H]2[N@@H+](C3CC[NH2+]CC3)CC23CCCC3)cc1 ZINC000169676558 372630138 /nfs/dbraw/zinc/63/01/38/372630138.db2.gz TVAFVKHEDLYFOS-KRWDZBQOSA-N 2 1 270.420 3.356 50 0 CGAAMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(F)cc2Cl)CCN1C ZINC000252548721 377637706 /nfs/dbraw/zinc/63/77/06/377637706.db2.gz QHNBXKJCOJBFDQ-WFASDCNBSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000252548721 377637716 /nfs/dbraw/zinc/63/77/16/377637716.db2.gz QHNBXKJCOJBFDQ-WFASDCNBSA-N 2 1 298.833 3.436 50 0 CGAAMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(F)cc2Cl)CC[NH+]1C ZINC000252548721 377637738 /nfs/dbraw/zinc/63/77/38/377637738.db2.gz QHNBXKJCOJBFDQ-WFASDCNBSA-N 2 1 298.833 3.436 50 0 CGAAMP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000072140063 392195653 /nfs/dbraw/zinc/19/56/53/392195653.db2.gz FZKJWRDENQDZAH-SFHVURJKSA-N 2 1 272.436 3.386 50 0 CGAAMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000097165817 392262158 /nfs/dbraw/zinc/26/21/58/392262158.db2.gz RWNYUDJENYOZHB-WMLDXEAASA-N 2 1 260.425 3.164 50 0 CGAAMP CCC(CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035361894 172152862 /nfs/dbraw/zinc/15/28/62/172152862.db2.gz IILFGFGHMFLZQH-UHFFFAOYSA-N 2 1 260.425 3.429 50 0 CGAAMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000952869262 800684681 /nfs/dbraw/zinc/68/46/81/800684681.db2.gz GSFLUDQKRRVSGD-HNNXBMFYSA-N 2 1 293.455 3.191 50 0 CGAAMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000584892166 346722036 /nfs/dbraw/zinc/72/20/36/346722036.db2.gz DAUZCRIYIWBXNH-CQSZACIVSA-N 2 1 296.418 3.284 50 0 CGAAMP CCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000000280062 368332084 /nfs/dbraw/zinc/33/20/84/368332084.db2.gz QENLOIJODZQRJF-UHFFFAOYSA-N 2 1 266.816 3.304 50 0 CGAAMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000067755873 369727465 /nfs/dbraw/zinc/72/74/65/369727465.db2.gz DEEWKVNZTUDXLR-LLVKDONJSA-N 2 1 270.779 3.040 50 0 CGAAMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000070074740 369779617 /nfs/dbraw/zinc/77/96/17/369779617.db2.gz GMUJXPCPLFGMDM-QWHCGFSZSA-N 2 1 274.433 3.461 50 0 CGAAMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000130175673 371016529 /nfs/dbraw/zinc/01/65/29/371016529.db2.gz APUITFHRYSJQFN-NUJGCVRESA-N 2 1 288.435 3.363 50 0 CGAAMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000240540903 376776704 /nfs/dbraw/zinc/77/67/04/376776704.db2.gz GQDCJAMDGIUEGF-HNNXBMFYSA-N 2 1 284.513 3.326 50 0 CGAAMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000240540903 376776709 /nfs/dbraw/zinc/77/67/09/376776709.db2.gz GQDCJAMDGIUEGF-HNNXBMFYSA-N 2 1 284.513 3.326 50 0 CGAAMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000240540903 376776715 /nfs/dbraw/zinc/77/67/15/376776715.db2.gz GQDCJAMDGIUEGF-HNNXBMFYSA-N 2 1 284.513 3.326 50 0 CGAAMP CC(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067934244 392161066 /nfs/dbraw/zinc/16/10/66/392161066.db2.gz KZAMTTXHMHYGJL-UHFFFAOYSA-N 2 1 272.436 3.386 50 0 CGAAMP CCc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670448393 543155808 /nfs/dbraw/zinc/15/58/08/543155808.db2.gz CBCFKJBBAUCHBT-OAHLLOKOSA-N 2 1 287.407 3.259 50 0 CGAAMP CCc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670448393 543155810 /nfs/dbraw/zinc/15/58/10/543155810.db2.gz CBCFKJBBAUCHBT-OAHLLOKOSA-N 2 1 287.407 3.259 50 0 CGAAMP CC1(C)CC([NH2+]Cc2ccc(F)c(F)c2)CC(C)(C)[NH2+]1 ZINC000020143097 171029248 /nfs/dbraw/zinc/02/92/48/171029248.db2.gz USFOYUUBGABTAI-UHFFFAOYSA-N 2 1 282.378 3.364 50 0 CGAAMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000078552930 177353515 /nfs/dbraw/zinc/35/35/15/177353515.db2.gz XQCBXKPGNLOWCJ-UHFFFAOYSA-N 2 1 274.433 3.490 50 0 CGAAMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000072162855 275392105 /nfs/dbraw/zinc/39/21/05/275392105.db2.gz WUZDDAOJZUSTTO-MRXNPFEDSA-N 2 1 250.430 3.032 50 0 CGAAMP