smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCOCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000093232477 349533997 /nfs/dbraw/zinc/53/39/97/349533997.db2.gz BTWUREYUIWESSL-UHFFFAOYSA-N 2 3 255.406 0.770 20 0 CCADHP C[N@H+](CCO)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346840761 355873348 /nfs/dbraw/zinc/87/33/48/355873348.db2.gz UQFXELITOCUDIW-UHFFFAOYSA-N 2 3 255.406 0.375 20 0 CCADHP C[N@@H+](CCO)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346840761 355873353 /nfs/dbraw/zinc/87/33/53/355873353.db2.gz UQFXELITOCUDIW-UHFFFAOYSA-N 2 3 255.406 0.375 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090845 376767434 /nfs/dbraw/zinc/76/74/34/376767434.db2.gz JGMVGAMJYSGGRZ-CQSZACIVSA-N 2 3 299.463 0.263 20 0 CCADHP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423190185 389551534 /nfs/dbraw/zinc/55/15/34/389551534.db2.gz SCSSQZMIRXSKGL-UONOGXRCSA-N 2 3 254.422 0.402 20 0 CCADHP CC[N@@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000414888029 389643999 /nfs/dbraw/zinc/64/39/99/389643999.db2.gz RPVVRJHWXLTDTN-UONOGXRCSA-N 2 3 254.422 0.212 20 0 CCADHP CC[N@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000414888029 389644003 /nfs/dbraw/zinc/64/40/03/389644003.db2.gz RPVVRJHWXLTDTN-UONOGXRCSA-N 2 3 254.422 0.212 20 0 CCADHP CN(C)CCN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792899 390173222 /nfs/dbraw/zinc/17/32/22/390173222.db2.gz DNBSGDBANUXHPD-ZMSDIMECSA-N 2 3 294.487 0.990 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662272232 414703768 /nfs/dbraw/zinc/70/37/68/414703768.db2.gz CXLOLWUNSPVSDO-KKUMJFAQSA-N 2 3 279.428 0.829 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662272232 414703769 /nfs/dbraw/zinc/70/37/69/414703769.db2.gz CXLOLWUNSPVSDO-KKUMJFAQSA-N 2 3 279.428 0.829 20 0 CCADHP COCC1(CNC[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663498420 415080816 /nfs/dbraw/zinc/08/08/16/415080816.db2.gz SOWCKPPGFCGZQB-GXTWGEPZSA-N 2 3 253.390 0.202 20 0 CCADHP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742527 613233994 /nfs/dbraw/zinc/23/39/94/613233994.db2.gz CGBPHWKFUKXKLA-BARDWOONSA-N 2 3 265.401 0.581 20 0 CCADHP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742527 613233995 /nfs/dbraw/zinc/23/39/95/613233995.db2.gz CGBPHWKFUKXKLA-BARDWOONSA-N 2 3 265.401 0.581 20 0 CCADHP CC1(C)C[NH2+]CC[C@H](NCCN2CCC([NH3+])CC2)C1 ZINC000902405836 614703526 /nfs/dbraw/zinc/70/35/26/614703526.db2.gz OKYOGQKLKQJVME-AWEZNQCLSA-N 2 3 268.449 0.777 20 0 CCADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925688260 614868908 /nfs/dbraw/zinc/86/89/08/614868908.db2.gz CJSPCDYVISKXSO-ILXRZTDVSA-N 2 3 280.460 0.648 20 0 CCADHP CC1(C)[C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H]2CCCN[C@@H]21 ZINC000925688261 614869400 /nfs/dbraw/zinc/86/94/00/614869400.db2.gz CJSPCDYVISKXSO-QLFBSQMISA-N 2 3 280.460 0.648 20 0 CCADHP CN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[NH2+]CC1 ZINC000923333982 616151566 /nfs/dbraw/zinc/15/15/66/616151566.db2.gz DTDYINGTIGGMLJ-QWHCGFSZSA-N 2 3 253.390 0.439 20 0 CCADHP C[NH+]1CCC(O)(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925614649 616174822 /nfs/dbraw/zinc/17/48/22/616174822.db2.gz ZLFIFAMUVCVFOT-RDBSUJKOSA-N 2 3 281.444 0.809 20 0 CCADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC12CC(C1)CN2 ZINC000925718685 625756058 /nfs/dbraw/zinc/75/60/58/625756058.db2.gz ZDWXRBVZMLROTM-PGLUUVCHSA-N 2 3 251.374 0.080 20 0 CCADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2NCC12CC(C1)C[NH2+]2 ZINC000925718685 625756072 /nfs/dbraw/zinc/75/60/72/625756072.db2.gz ZDWXRBVZMLROTM-PGLUUVCHSA-N 2 3 251.374 0.080 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@@H](C)C2CC[NH2+]CC2)cnn1C ZINC000903937426 634694761 /nfs/dbraw/zinc/69/47/61/634694761.db2.gz KRXOJERVEHZLDK-GXTWGEPZSA-N 2 3 293.459 0.824 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1C ZINC000903915730 634694783 /nfs/dbraw/zinc/69/47/83/634694783.db2.gz BQLRRMMEHFFDAS-UONOGXRCSA-N 2 3 279.432 0.435 20 0 CCADHP C[C@]1(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)CC[NH2+]C1 ZINC000904393200 634738479 /nfs/dbraw/zinc/73/84/79/634738479.db2.gz NATHNAFHNRJESJ-KBPBESRZSA-N 2 3 267.417 0.816 20 0 CCADHP [NH3+]CCCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000846220520 643390493 /nfs/dbraw/zinc/39/04/93/643390493.db2.gz JIIXFEJJKAPSHV-AWEZNQCLSA-N 2 3 254.422 0.485 20 0 CCADHP [NH3+]CC1(O)CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873213662 646359175 /nfs/dbraw/zinc/35/91/75/646359175.db2.gz LLXJQUZDWFDXOQ-UHFFFAOYSA-N 2 3 281.425 0.679 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925817231 648464284 /nfs/dbraw/zinc/46/42/84/648464284.db2.gz ONYRZQKFYNHVDB-ARFHVFGLSA-N 2 3 280.460 0.920 20 0 CCADHP N[C@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842284 648465826 /nfs/dbraw/zinc/46/58/26/648465826.db2.gz LDOBCPMUQRIQMG-UONOGXRCSA-N 2 3 254.422 0.531 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530056 802171162 /nfs/dbraw/zinc/17/11/62/802171162.db2.gz PMDQVPJOFOKGJE-AGIUHOORSA-N 2 3 270.421 0.430 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710434 804092790 /nfs/dbraw/zinc/09/27/90/804092790.db2.gz FRMVEFIWROEHQO-QWRGUYRKSA-N 2 3 295.387 0.755 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218994741 804178645 /nfs/dbraw/zinc/17/86/45/804178645.db2.gz KVMDIWFGHLINHR-JSGCOSHPSA-N 2 3 276.384 0.768 20 0 CCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001219646567 804391483 /nfs/dbraw/zinc/39/14/83/804391483.db2.gz VKZICCMQNJJIDL-IHRRRGAJSA-N 2 3 284.448 0.407 20 0 CCADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220061840 804490222 /nfs/dbraw/zinc/49/02/22/804490222.db2.gz DSMMOWAQOIUFIR-KGLIPLIRSA-N 2 3 284.448 0.823 20 0 CCADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220061840 804490226 /nfs/dbraw/zinc/49/02/26/804490226.db2.gz DSMMOWAQOIUFIR-KGLIPLIRSA-N 2 3 284.448 0.823 20 0 CCADHP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220386432 804591573 /nfs/dbraw/zinc/59/15/73/804591573.db2.gz TUAXTBFMZLQCCT-CYBMUJFWSA-N 2 3 296.459 0.707 20 0 CCADHP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220386432 804591578 /nfs/dbraw/zinc/59/15/78/804591578.db2.gz TUAXTBFMZLQCCT-CYBMUJFWSA-N 2 3 296.459 0.707 20 0 CCADHP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221371683 804792023 /nfs/dbraw/zinc/79/20/23/804792023.db2.gz HZRZRENLIBXUMY-GFCCVEGCSA-N 2 3 282.432 0.209 20 0 CCADHP C(CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001222491437 804905004 /nfs/dbraw/zinc/90/50/04/804905004.db2.gz BAIUMNOPPAOXIW-KKUMJFAQSA-N 2 3 266.433 0.402 20 0 CCADHP C1CC2(C[NH2+]1)CCC([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC2 ZINC001246145020 807166084 /nfs/dbraw/zinc/16/60/84/807166084.db2.gz CYNTZJXCWKCORS-AURRFLRISA-N 2 3 279.428 0.733 20 0 CCADHP C[C@@H]1CC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246149163 807167891 /nfs/dbraw/zinc/16/78/91/807167891.db2.gz UCAWDLKGQGORDU-MCIONIFRSA-N 2 3 280.460 0.979 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246150430 807168839 /nfs/dbraw/zinc/16/88/39/807168839.db2.gz VZDYTHWGHUQNBV-JHJVBQTASA-N 2 3 252.406 0.201 20 0 CCADHP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001246510772 807269242 /nfs/dbraw/zinc/26/92/42/807269242.db2.gz HOKLACBOVIPOBY-GSPSYOTPSA-N 2 3 282.432 0.445 20 0 CCADHP C1C[C@H]2C[C@H](N3CCNC4(CC[NH2+]CC4)C3)C[C@@H]1[NH2+]2 ZINC001246599556 807318812 /nfs/dbraw/zinc/31/88/12/807318812.db2.gz DALPRUSXTQJFTC-BTTYYORXSA-N 2 3 264.417 0.297 20 0 CCADHP C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849490 807405525 /nfs/dbraw/zinc/40/55/25/807405525.db2.gz RWBXFMAMXAVILF-OLZOCXBDSA-N 2 3 252.406 0.012 20 0 CCADHP C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849490 807405529 /nfs/dbraw/zinc/40/55/29/807405529.db2.gz RWBXFMAMXAVILF-OLZOCXBDSA-N 2 3 252.406 0.012 20 0 CCADHP [NH2+]=C(NC1CCC(N2CCOCC2)CC1)SCC[NH3+] ZINC001256679243 808548525 /nfs/dbraw/zinc/54/85/25/808548525.db2.gz HBCNHGDEVSXTDG-UHFFFAOYSA-N 2 3 286.445 0.846 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161446652 811634669 /nfs/dbraw/zinc/63/46/69/811634669.db2.gz TWTGWOFKNXZVHY-SOUVJXGZSA-N 2 3 296.459 0.517 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220252241 811727233 /nfs/dbraw/zinc/72/72/33/811727233.db2.gz SPDPMGDQJMWYOH-KBPBESRZSA-N 2 3 284.448 0.646 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220252241 811727241 /nfs/dbraw/zinc/72/72/41/811727241.db2.gz SPDPMGDQJMWYOH-KBPBESRZSA-N 2 3 284.448 0.646 20 0 CCADHP C[C@@H]1CC[C@H](CN[C@@H]2CCOC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246112101 839623912 /nfs/dbraw/zinc/62/39/12/839623912.db2.gz KUESUKWFNNUFKV-JHJVBQTASA-N 2 3 253.390 0.485 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246130131 839636200 /nfs/dbraw/zinc/63/62/00/839636200.db2.gz YDRHNBTUPJBFFL-RDBSUJKOSA-N 2 3 267.417 0.875 20 0 CCADHP C(C[C@H]1CCCC[NH2+]1)N[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246241914 839737436 /nfs/dbraw/zinc/73/74/36/839737436.db2.gz CYZKDJHLYDPKAD-NEPJUHHUSA-N 2 3 255.431 0.956 20 0 CCADHP NC[C@H]1CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588698 840133403 /nfs/dbraw/zinc/13/34/03/840133403.db2.gz CCQXFXJLMIHYQS-OLZOCXBDSA-N 2 3 253.390 0.568 20 0 CCADHP NC[C@H]1CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588698 840133408 /nfs/dbraw/zinc/13/34/08/840133408.db2.gz CCQXFXJLMIHYQS-OLZOCXBDSA-N 2 3 253.390 0.568 20 0 CCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160696578 840135602 /nfs/dbraw/zinc/13/56/02/840135602.db2.gz XFMCXZMGEQMSSW-KGLIPLIRSA-N 2 3 294.443 0.319 20 0 CCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160696578 840135606 /nfs/dbraw/zinc/13/56/06/840135606.db2.gz XFMCXZMGEQMSSW-KGLIPLIRSA-N 2 3 294.443 0.319 20 0 CCADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135607 291197586 /nfs/dbraw/zinc/19/75/86/291197586.db2.gz OCKZJDZXGYQGRV-ILXRZTDVSA-N 2 3 266.433 0.354 20 0 CCADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135607 291197587 /nfs/dbraw/zinc/19/75/87/291197587.db2.gz OCKZJDZXGYQGRV-ILXRZTDVSA-N 2 3 266.433 0.354 20 0 CCADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000634990990 372326038 /nfs/dbraw/zinc/32/60/38/372326038.db2.gz KUOWTHRUQGRCGT-CHWSQXEVSA-N 2 3 270.421 0.004 20 0 CCADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000634990990 372326040 /nfs/dbraw/zinc/32/60/40/372326040.db2.gz KUOWTHRUQGRCGT-CHWSQXEVSA-N 2 3 270.421 0.004 20 0 CCADHP CC[N@H+](C)C[C@H](O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755445 375980722 /nfs/dbraw/zinc/98/07/22/375980722.db2.gz LLCHWLZECHFGGP-AWEZNQCLSA-N 2 3 269.433 0.717 20 0 CCADHP CC[N@@H+](C)C[C@H](O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755445 375980728 /nfs/dbraw/zinc/98/07/28/375980728.db2.gz LLCHWLZECHFGGP-AWEZNQCLSA-N 2 3 269.433 0.717 20 0 CCADHP C[N@H+](C[C@@H](O)CN1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639756628 375983545 /nfs/dbraw/zinc/98/35/45/375983545.db2.gz ZOLVQSBLKYNOCH-OAHLLOKOSA-N 2 3 281.444 0.859 20 0 CCADHP C[N@@H+](C[C@@H](O)CN1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639756628 375983550 /nfs/dbraw/zinc/98/35/50/375983550.db2.gz ZOLVQSBLKYNOCH-OAHLLOKOSA-N 2 3 281.444 0.859 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000572263969 291868205 /nfs/dbraw/zinc/86/82/05/291868205.db2.gz JAOQJHDTSKPTNU-ZIAGYGMSSA-N 2 3 299.463 0.249 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423203760 389552044 /nfs/dbraw/zinc/55/20/44/389552044.db2.gz NIXYOQMAQUFNDQ-QLFBSQMISA-N 2 3 266.433 0.354 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423203760 389552047 /nfs/dbraw/zinc/55/20/47/389552047.db2.gz NIXYOQMAQUFNDQ-QLFBSQMISA-N 2 3 266.433 0.354 20 0 CCADHP CN(C)CCN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792898 390173300 /nfs/dbraw/zinc/17/33/00/390173300.db2.gz DNBSGDBANUXHPD-YQQAZPJKSA-N 2 3 294.487 0.990 20 0 CCADHP CCO[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000652356599 412036556 /nfs/dbraw/zinc/03/65/56/412036556.db2.gz WCYKIBCXOZBOME-BFHYXJOUSA-N 2 3 255.406 0.672 20 0 CCADHP CCO[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000652356599 412036560 /nfs/dbraw/zinc/03/65/60/412036560.db2.gz WCYKIBCXOZBOME-BFHYXJOUSA-N 2 3 255.406 0.672 20 0 CCADHP CCO[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356599 412036566 /nfs/dbraw/zinc/03/65/66/412036566.db2.gz WCYKIBCXOZBOME-BFHYXJOUSA-N 2 3 255.406 0.672 20 0 CCADHP CC[NH2+]CCCN[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000581065695 336002808 /nfs/dbraw/zinc/00/28/08/336002808.db2.gz DLBQQEMWRDOHJQ-CYBMUJFWSA-N 2 3 285.432 0.897 20 0 CCADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742530 613234049 /nfs/dbraw/zinc/23/40/49/613234049.db2.gz CGBPHWKFUKXKLA-QPSCCSFWSA-N 2 3 265.401 0.581 20 0 CCADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742530 613234050 /nfs/dbraw/zinc/23/40/50/613234050.db2.gz CGBPHWKFUKXKLA-QPSCCSFWSA-N 2 3 265.401 0.581 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923500839 615100176 /nfs/dbraw/zinc/10/01/76/615100176.db2.gz YKUDANORDRRPIG-KGLIPLIRSA-N 2 3 296.459 0.504 20 0 CCADHP CCN1CCN(CCC[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000893327496 615157926 /nfs/dbraw/zinc/15/79/26/615157926.db2.gz KANJVDRGXMZGMP-UHFFFAOYSA-N 2 3 282.476 0.945 20 0 CCADHP CC[N@@H+]1CC[C@@H](NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000925808715 615235364 /nfs/dbraw/zinc/23/53/64/615235364.db2.gz DMEVGUZMRGYAPW-DZGCQCFKSA-N 2 3 268.449 0.729 20 0 CCADHP CC[N@H+]1CC[C@@H](NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000925808715 615235365 /nfs/dbraw/zinc/23/53/65/615235365.db2.gz DMEVGUZMRGYAPW-DZGCQCFKSA-N 2 3 268.449 0.729 20 0 CCADHP C[NH+](C)CCOCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902378508 615906925 /nfs/dbraw/zinc/90/69/25/615906925.db2.gz XNTNSJWPILOVFC-ZDUSSCGKSA-N 2 3 257.422 0.932 20 0 CCADHP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000923333981 616133863 /nfs/dbraw/zinc/13/38/63/616133863.db2.gz DTDYINGTIGGMLJ-OLZOCXBDSA-N 2 3 253.390 0.439 20 0 CCADHP [NH3+]CCOCCN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813193 634656984 /nfs/dbraw/zinc/65/69/84/634656984.db2.gz YREZTPIMTUUJLF-CYBMUJFWSA-N 2 3 255.406 0.945 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000843119957 643002960 /nfs/dbraw/zinc/00/29/60/643002960.db2.gz QJGIKLZWOZSFKC-CQSZACIVSA-N 2 3 294.443 0.259 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000843119957 643002971 /nfs/dbraw/zinc/00/29/71/643002971.db2.gz QJGIKLZWOZSFKC-CQSZACIVSA-N 2 3 294.443 0.259 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246129181 807160866 /nfs/dbraw/zinc/16/08/66/807160866.db2.gz SWBBFLQESMIEIU-OLZOCXBDSA-N 2 3 252.406 0.202 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160698723 802005191 /nfs/dbraw/zinc/00/51/91/802005191.db2.gz QBRJJYXJQHWYSD-CABCVRRESA-N 2 3 298.475 0.940 20 0 CCADHP CN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060735 802080485 /nfs/dbraw/zinc/08/04/85/802080485.db2.gz CSJJPBXRRQPPEV-FRRDWIJNSA-N 2 3 268.405 0.042 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001161081062 802084005 /nfs/dbraw/zinc/08/40/05/802084005.db2.gz CZIOAMLBBWFIFA-IHRRRGAJSA-N 2 3 282.432 0.256 20 0 CCADHP CN(C)CCN(C(=O)C[C@H]([NH3+])C1CC1)[C@H]1CCC[NH2+]C1 ZINC001161444123 802154205 /nfs/dbraw/zinc/15/42/05/802154205.db2.gz CDJXYYLOYNXIOJ-KBPBESRZSA-N 2 3 282.432 0.256 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161447887 802155851 /nfs/dbraw/zinc/15/58/51/802155851.db2.gz ZNZUDFJULWFACE-MGPQQGTHSA-N 2 3 282.432 0.256 20 0 CCADHP [NH3+]CCC[C@H]([NH3+])C(=O)NCCc1c[nH]c2ccncc12 ZINC001220865709 804683738 /nfs/dbraw/zinc/68/37/38/804683738.db2.gz IHOKFIJUDJMCKF-LBPRGKRZSA-N 2 3 275.356 0.288 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221128965 804733837 /nfs/dbraw/zinc/73/38/37/804733837.db2.gz RNWVBBYRQAOJRO-CQSZACIVSA-N 2 3 296.459 0.729 20 0 CCADHP CC[NH+]1CCC(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001222491615 804904116 /nfs/dbraw/zinc/90/41/16/804904116.db2.gz FNQDASTZMYLSPW-HOTGVXAUSA-N 2 3 280.460 0.744 20 0 CCADHP C[C@@H]1CC[C@H](NCC[C@H]2CCOC23C[NH2+]C3)C[NH2+]1 ZINC001246139916 807163552 /nfs/dbraw/zinc/16/35/52/807163552.db2.gz YBTQOBKLXPRCIL-AGIUHOORSA-N 2 3 253.390 0.485 20 0 CCADHP CN1CCC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246214670 807189061 /nfs/dbraw/zinc/18/90/61/807189061.db2.gz KDSZBHYLYYGHOZ-CYBMUJFWSA-N 2 3 266.433 0.497 20 0 CCADHP [NH3+]C[C@@]1(O)CCCCN([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246560128 807288980 /nfs/dbraw/zinc/28/89/80/807288980.db2.gz PGWJXBBFRSDRKY-RYUDHWBXSA-N 2 3 271.430 0.010 20 0 CCADHP C1C[C@H]2C[C@@H](N3CCNC4(CC[NH2+]CC4)C3)C[C@@H]1[NH2+]2 ZINC001246599580 807318258 /nfs/dbraw/zinc/31/82/58/807318258.db2.gz DALPRUSXTQJFTC-WDNDVIMCSA-N 2 3 264.417 0.297 20 0 CCADHP CC[C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246605831 807319372 /nfs/dbraw/zinc/31/93/72/807319372.db2.gz QYGTVTOLBNCESM-ZIAGYGMSSA-N 2 3 266.433 0.544 20 0 CCADHP NC1([C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CF)CC1 ZINC001246695994 807358594 /nfs/dbraw/zinc/35/85/94/807358594.db2.gz UNCRHMAAQLKWIM-YNEHKIRRSA-N 2 3 282.407 0.089 20 0 CCADHP NC1([C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CF)CC1 ZINC001246695994 807358602 /nfs/dbraw/zinc/35/86/02/807358602.db2.gz UNCRHMAAQLKWIM-YNEHKIRRSA-N 2 3 282.407 0.089 20 0 CCADHP CCCN1C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246938658 807435585 /nfs/dbraw/zinc/43/55/85/807435585.db2.gz FQUWWFAYBUAJND-RBSFLKMASA-N 2 3 278.444 0.354 20 0 CCADHP C[C@H](C[NH3+])C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684166 808548210 /nfs/dbraw/zinc/54/82/10/808548210.db2.gz NBKLQWKCTGTQAE-IYXRBSQSSA-N 2 3 255.406 0.814 20 0 CCADHP [NH3+]CCN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256849659 808563261 /nfs/dbraw/zinc/56/32/61/808563261.db2.gz JIXAIXSWCCHVJG-UHFFFAOYSA-N 2 3 289.427 0.627 20 0 CCADHP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161445059 811608433 /nfs/dbraw/zinc/60/84/33/811608433.db2.gz MTNGZGCKJPOQGH-QLFBSQMISA-N 2 3 296.459 0.374 20 0 CCADHP [NH2+]=C(NCCCC[NH3+])Nc1cccnc1OC1CNC1 ZINC001167883950 812404730 /nfs/dbraw/zinc/40/47/30/812404730.db2.gz OCGZNNJEWFQTTD-UHFFFAOYSA-N 2 3 278.360 0.107 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544171 839955839 /nfs/dbraw/zinc/95/58/39/839955839.db2.gz PIOBLHDABXZODX-XGUBFFRZSA-N 2 3 267.417 0.835 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544171 839955842 /nfs/dbraw/zinc/95/58/42/839955842.db2.gz PIOBLHDABXZODX-XGUBFFRZSA-N 2 3 267.417 0.835 20 0 CCADHP C[C@@H]1CC[N@@H+]([C@@H]2CCOC3(CNC3)C2)CC[C@@H]1C[NH3+] ZINC001246563644 840032498 /nfs/dbraw/zinc/03/24/98/840032498.db2.gz XLWMOFVQPGDDGD-MGPQQGTHSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1CC[N@H+]([C@@H]2CCOC3(CNC3)C2)CC[C@@H]1C[NH3+] ZINC001246563644 840032503 /nfs/dbraw/zinc/03/25/03/840032503.db2.gz XLWMOFVQPGDDGD-MGPQQGTHSA-N 2 3 267.417 0.814 20 0 CCADHP CC(C)[C@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246604847 840167325 /nfs/dbraw/zinc/16/73/25/840167325.db2.gz OGFBXWQGOOGZGM-LSDHHAIUSA-N 2 3 280.460 0.790 20 0 CCADHP OCCNC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000631863436 370723946 /nfs/dbraw/zinc/72/39/46/370723946.db2.gz WQLHLCUEMWTEFV-UHFFFAOYSA-N 2 3 255.406 0.422 20 0 CCADHP C[C@H]1C[C@H](CN2CCC([NH2+]CCO)CC2)CC[NH2+]1 ZINC000635001773 372337305 /nfs/dbraw/zinc/33/73/05/372337305.db2.gz CIZNIKQZKBMVCZ-QWHCGFSZSA-N 2 3 255.406 0.421 20 0 CCADHP C[N@@H+]1CCCC2CN(C(=O)C3([NH3+])CCC3)CCC21 ZINC000227333821 389150632 /nfs/dbraw/zinc/15/06/32/389150632.db2.gz FFVJTHGFHVESKN-NWDGAFQWSA-N 2 3 251.374 0.811 20 0 CCADHP C[N@H+]1CCCC2CN(C(=O)C3([NH3+])CCC3)CCC21 ZINC000227333821 389150637 /nfs/dbraw/zinc/15/06/37/389150637.db2.gz FFVJTHGFHVESKN-NWDGAFQWSA-N 2 3 251.374 0.811 20 0 CCADHP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422739712 389463850 /nfs/dbraw/zinc/46/38/50/389463850.db2.gz LOYKARXOTLGTGD-HZPDHXFCSA-N 2 3 282.476 0.977 20 0 CCADHP CC[NH+]1CCN(CCCN[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422852784 389491539 /nfs/dbraw/zinc/49/15/39/389491539.db2.gz BHLDZEGGGKCWCU-LSDHHAIUSA-N 2 3 268.449 0.744 20 0 CCADHP CC[N@@H+]1CC[C@H](N(C)CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000435371240 389956442 /nfs/dbraw/zinc/95/64/42/389956442.db2.gz SZIBAMJGNRDDCR-CABCVRRESA-N 2 3 268.449 0.554 20 0 CCADHP CC[N@H+]1CC[C@H](N(C)CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000435371240 389956445 /nfs/dbraw/zinc/95/64/45/389956445.db2.gz SZIBAMJGNRDDCR-CABCVRRESA-N 2 3 268.449 0.554 20 0 CCADHP C(CN1CCN([C@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000572243817 390774030 /nfs/dbraw/zinc/77/40/30/390774030.db2.gz SAPHTFXKCIGWIJ-CABCVRRESA-N 2 3 266.433 0.356 20 0 CCADHP COC[C@]1(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000647547001 390839288 /nfs/dbraw/zinc/83/92/88/390839288.db2.gz KCZIJWNKSAPRAX-GBJTYRQASA-N 2 3 267.417 0.733 20 0 CCADHP CN(C)CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400998650 411779611 /nfs/dbraw/zinc/77/96/11/411779611.db2.gz LOAZVGJOEYVBPM-BFHYXJOUSA-N 2 3 255.406 0.542 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295149 414707503 /nfs/dbraw/zinc/70/75/03/414707503.db2.gz TXCWVDJQPKBXSB-GJZGRUSLSA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295149 414707504 /nfs/dbraw/zinc/70/75/04/414707504.db2.gz TXCWVDJQPKBXSB-GJZGRUSLSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295149 414707505 /nfs/dbraw/zinc/70/75/05/414707505.db2.gz TXCWVDJQPKBXSB-GJZGRUSLSA-N 2 3 269.433 0.668 20 0 CCADHP CC1(C)[NH2+]CC[C@H]1NCCCCCN1CC[NH2+]CC1 ZINC000925842785 614808118 /nfs/dbraw/zinc/80/81/18/614808118.db2.gz NOEBZKMDTQJCIF-CQSZACIVSA-N 2 3 268.449 0.792 20 0 CCADHP C[C@](C[NH3+])(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903717747 634629291 /nfs/dbraw/zinc/62/92/91/634629291.db2.gz VLXDYHVARCTIMU-UONOGXRCSA-N 2 3 267.417 0.862 20 0 CCADHP C[C@@](C[NH3+])(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903717745 634629946 /nfs/dbraw/zinc/62/99/46/634629946.db2.gz VLXDYHVARCTIMU-KBPBESRZSA-N 2 3 267.417 0.862 20 0 CCADHP C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903747235 634635450 /nfs/dbraw/zinc/63/54/50/634635450.db2.gz QJTKTHSNGXMOLD-BFHYXJOUSA-N 2 3 253.390 0.426 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903750259 634636326 /nfs/dbraw/zinc/63/63/26/634636326.db2.gz WEVWEISQKPCQHE-RRFJBIMHSA-N 2 3 267.417 0.958 20 0 CCADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903763247 634642123 /nfs/dbraw/zinc/64/21/23/634642123.db2.gz JBROUZADPXTBSM-AAVRWANBSA-N 2 3 253.390 0.615 20 0 CCADHP C[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000903789663 634652988 /nfs/dbraw/zinc/65/29/88/634652988.db2.gz ZATNAYQYYFAUAL-SYQHCUMBSA-N 2 3 253.390 0.282 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925790520 648462663 /nfs/dbraw/zinc/46/26/63/648462663.db2.gz INEJPJLNZGTROE-GZBLMMOJSA-N 2 3 267.417 0.589 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925817235 648464059 /nfs/dbraw/zinc/46/40/59/648464059.db2.gz ONYRZQKFYNHVDB-XHSDSOJGSA-N 2 3 280.460 0.920 20 0 CCADHP C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)CN1CCCC1 ZINC001246097725 807152336 /nfs/dbraw/zinc/15/23/36/807152336.db2.gz MGNCPNRMNVURAM-CYBMUJFWSA-N 2 3 252.406 0.156 20 0 CCADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001161176574 799679180 /nfs/dbraw/zinc/67/91/80/799679180.db2.gz VWPKOGIFVDVYQP-QLFBSQMISA-N 2 3 294.443 0.114 20 0 CCADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001161176574 799679185 /nfs/dbraw/zinc/67/91/85/799679185.db2.gz VWPKOGIFVDVYQP-QLFBSQMISA-N 2 3 294.443 0.114 20 0 CCADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157841147 801497671 /nfs/dbraw/zinc/49/76/71/801497671.db2.gz FFPMQTFXOPLCLU-WOPDTQHZSA-N 2 3 256.394 0.029 20 0 CCADHP C[NH2+]CC1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001160457108 801944577 /nfs/dbraw/zinc/94/45/77/801944577.db2.gz XSYGXXWZYGNODK-AWEZNQCLSA-N 2 3 284.448 0.504 20 0 CCADHP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H](N)C23CCC3)CC1 ZINC000405198875 803867943 /nfs/dbraw/zinc/86/79/43/803867943.db2.gz BUTMMEMPGWSQCH-RYUDHWBXSA-N 2 3 253.390 0.303 20 0 CCADHP CN(C)c1ccncc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218563133 804007423 /nfs/dbraw/zinc/00/74/23/804007423.db2.gz LKXVGUCUKUOBNE-IAQYHMDHSA-N 2 3 289.383 0.285 20 0 CCADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220252112 804549666 /nfs/dbraw/zinc/54/96/66/804549666.db2.gz OFSWWXYNKDLMCE-NEPJUHHUSA-N 2 3 256.394 0.043 20 0 CCADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220252112 804549670 /nfs/dbraw/zinc/54/96/70/804549670.db2.gz OFSWWXYNKDLMCE-NEPJUHHUSA-N 2 3 256.394 0.043 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805137 804669976 /nfs/dbraw/zinc/66/99/76/804669976.db2.gz QSGUJFPTZYJGCQ-LPEHRKFASA-N 2 3 296.337 0.099 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCCC[NH3+] ZINC001221349445 804786600 /nfs/dbraw/zinc/78/66/00/804786600.db2.gz XIJGCPGDZAGYNR-LBPRGKRZSA-N 2 3 258.410 0.337 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408898 804809548 /nfs/dbraw/zinc/80/95/48/804809548.db2.gz LDTWXRSENAMYLW-LSDHHAIUSA-N 2 3 296.459 0.550 20 0 CCADHP CC[NH+](CC)C[C@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245986919 807107831 /nfs/dbraw/zinc/10/78/31/807107831.db2.gz QWXMVBMMVUVTNT-LSDHHAIUSA-N 2 3 298.475 0.153 20 0 CCADHP C[C@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)C[NH2+]1 ZINC001246477352 807260285 /nfs/dbraw/zinc/26/02/85/807260285.db2.gz HXRACKABWOLHBZ-KBPBESRZSA-N 2 3 254.422 0.483 20 0 CCADHP C[C@@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)C[NH2+]1 ZINC001246477354 807260593 /nfs/dbraw/zinc/26/05/93/807260593.db2.gz HXRACKABWOLHBZ-KGLIPLIRSA-N 2 3 254.422 0.483 20 0 CCADHP c1cc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001246530650 807275867 /nfs/dbraw/zinc/27/58/67/807275867.db2.gz OVTNDLMJPFATFC-HNNXBMFYSA-N 2 3 287.411 0.298 20 0 CCADHP NC[C@H]1CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589912 807310032 /nfs/dbraw/zinc/31/00/32/807310032.db2.gz GNXMKQHNOSACCP-OLZOCXBDSA-N 2 3 252.406 0.141 20 0 CCADHP NC[C@H]1CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589912 807310039 /nfs/dbraw/zinc/31/00/39/807310039.db2.gz GNXMKQHNOSACCP-OLZOCXBDSA-N 2 3 252.406 0.141 20 0 CCADHP C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246127701 839632880 /nfs/dbraw/zinc/63/28/80/839632880.db2.gz OXKVFMMOBQJTFJ-KGLIPLIRSA-N 2 3 266.433 0.592 20 0 CCADHP C[C@@H]1CC[N@H+](CC[C@@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC001205602744 845868988 /nfs/dbraw/zinc/86/89/88/845868988.db2.gz LZGQCVDAXMNXMT-MGPQQGTHSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC001205602744 845868993 /nfs/dbraw/zinc/86/89/93/845868993.db2.gz LZGQCVDAXMNXMT-MGPQQGTHSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001332421473 904112354 /nfs/dbraw/zinc/11/23/54/904112354.db2.gz QQZWMEMPRAQMTP-QJPTWQEYSA-N 2 3 269.389 0.387 20 0 CCADHP CC[C@H](N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000037825484 348211514 /nfs/dbraw/zinc/21/15/14/348211514.db2.gz YYEWTNCGLBXDNB-ZDUSSCGKSA-N 2 3 272.437 0.456 20 0 CCADHP C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607150992 363342830 /nfs/dbraw/zinc/34/28/30/363342830.db2.gz YPRXLBVZWBTLMO-GEEKYZPCSA-N 2 3 278.444 0.069 20 0 CCADHP C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607150992 363342833 /nfs/dbraw/zinc/34/28/33/363342833.db2.gz YPRXLBVZWBTLMO-GEEKYZPCSA-N 3 3 278.444 0.069 20 0 CCADHP C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607150992 363342837 /nfs/dbraw/zinc/34/28/37/363342837.db2.gz YPRXLBVZWBTLMO-GEEKYZPCSA-N 3 3 278.444 0.069 20 0 CCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000564729815 291296968 /nfs/dbraw/zinc/29/69/68/291296968.db2.gz UIUCWBKZTRJIQF-HOTGVXAUSA-N 2 3 277.412 0.588 20 0 CCADHP [NH3+]CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000564729815 291296969 /nfs/dbraw/zinc/29/69/69/291296969.db2.gz UIUCWBKZTRJIQF-HOTGVXAUSA-N 2 3 277.412 0.588 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414889677 389643851 /nfs/dbraw/zinc/64/38/51/389643851.db2.gz UAFPIBJIUGTQTK-ILXRZTDVSA-N 2 3 266.433 0.402 20 0 CCADHP COC[C@]1(CNC[C@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000414943148 389646586 /nfs/dbraw/zinc/64/65/86/389646586.db2.gz CQEGGGOFBQSMHC-HZSPNIEDSA-N 2 3 255.406 0.733 20 0 CCADHP [NH3+]C1CCN(CCCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000433138123 389900415 /nfs/dbraw/zinc/90/04/15/389900415.db2.gz WQBGXYBKZQYYKN-AWEZNQCLSA-N 2 3 294.443 0.543 20 0 CCADHP [NH3+]C1CCN(CCCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000433138123 389900416 /nfs/dbraw/zinc/90/04/16/389900416.db2.gz WQBGXYBKZQYYKN-AWEZNQCLSA-N 2 3 294.443 0.543 20 0 CCADHP [NH3+][C@@H]1CCO[C@@H](C2CCN(C[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000647992540 390241730 /nfs/dbraw/zinc/24/17/30/390241730.db2.gz NCPBXKIHNHKXCX-BPLDGKMQSA-N 2 3 267.417 0.814 20 0 CCADHP C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000662291011 414707675 /nfs/dbraw/zinc/70/76/75/414707675.db2.gz BGRORIXOWAIAII-INIZCTEOSA-N 2 3 280.460 0.603 20 0 CCADHP CN(CCN1CC[NH2+]CC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662246105 414698825 /nfs/dbraw/zinc/69/88/25/414698825.db2.gz OWUONULOKMJEOE-UHFFFAOYSA-N 2 3 288.439 0.669 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000663504925 415080911 /nfs/dbraw/zinc/08/09/11/415080911.db2.gz CBYXYWCARSXZHO-UKRRQHHQSA-N 2 3 296.459 0.837 20 0 CCADHP C[C@@H]1C[C@@H](CN2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000584113475 327040401 /nfs/dbraw/zinc/04/04/01/327040401.db2.gz SZQLIEYCBFETTD-QLFBSQMISA-N 2 3 266.433 0.354 20 0 CCADHP [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000578453138 335636739 /nfs/dbraw/zinc/63/67/39/335636739.db2.gz HLFPWBYGGUYTME-NHIYQJMISA-N 2 3 294.443 0.493 20 0 CCADHP CCN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000923334307 615063132 /nfs/dbraw/zinc/06/31/32/615063132.db2.gz CBOBPGNLHPFHCD-KGLIPLIRSA-N 2 3 267.417 0.829 20 0 CCADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000877143705 615929248 /nfs/dbraw/zinc/92/92/48/615929248.db2.gz WLXRRCQESQUBCL-MGPQQGTHSA-N 2 3 298.475 0.558 20 0 CCADHP C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCC[NH2+]C1 ZINC000925848986 631398201 /nfs/dbraw/zinc/39/82/01/631398201.db2.gz MMBDZAPMGPMIMR-BFHYXJOUSA-N 2 3 295.427 0.649 20 0 CCADHP CC(C)[N@H+](C)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923321270 640083833 /nfs/dbraw/zinc/08/38/33/640083833.db2.gz BCUZBXHBPMJSRX-KKUMJFAQSA-N 2 3 269.433 0.889 20 0 CCADHP CC(C)[N@@H+](C)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923321270 640083840 /nfs/dbraw/zinc/08/38/40/640083840.db2.gz BCUZBXHBPMJSRX-KKUMJFAQSA-N 2 3 269.433 0.889 20 0 CCADHP C[C@@H]1C[C@H](C)N(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923383532 640115119 /nfs/dbraw/zinc/11/51/19/640115119.db2.gz UASDDMLQFYOPFG-RFGFWPKPSA-N 2 3 267.417 0.670 20 0 CCADHP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(N)n1 ZINC000866012562 645462289 /nfs/dbraw/zinc/46/22/89/645462289.db2.gz IEYHAPXIWZBMMQ-CHWSQXEVSA-N 2 3 292.431 0.543 20 0 CCADHP C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817984 648464300 /nfs/dbraw/zinc/46/43/00/648464300.db2.gz YRDUEZUIIGDLJP-JSGCOSHPSA-N 2 3 254.422 0.387 20 0 CCADHP CCCC[C@H]1C[C@@H](NCCC2(O)C[NH2+]C2)CC[NH2+]1 ZINC001246119614 807159376 /nfs/dbraw/zinc/15/93/76/807159376.db2.gz WNJFTIKMTLTNGS-STQMWFEESA-N 2 3 255.406 0.611 20 0 CCADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157844921 801499410 /nfs/dbraw/zinc/49/94/10/801499410.db2.gz YMQFXTDIPZWUKD-RDBSUJKOSA-N 2 3 294.443 0.446 20 0 CCADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157844921 801499414 /nfs/dbraw/zinc/49/94/14/801499414.db2.gz YMQFXTDIPZWUKD-RDBSUJKOSA-N 2 3 294.443 0.446 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291855 801785142 /nfs/dbraw/zinc/78/51/42/801785142.db2.gz UGRAGCYWPPGHAA-AWEZNQCLSA-N 2 3 294.443 0.387 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291855 801785149 /nfs/dbraw/zinc/78/51/49/801785149.db2.gz UGRAGCYWPPGHAA-AWEZNQCLSA-N 2 3 294.443 0.387 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160964102 802054015 /nfs/dbraw/zinc/05/40/15/802054015.db2.gz OMAYPYYCZOKTKO-IJEWVQPXSA-N 2 3 296.459 0.456 20 0 CCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219980692 804464337 /nfs/dbraw/zinc/46/43/37/804464337.db2.gz NEUVNTTXSBYKLP-STQMWFEESA-N 2 3 270.421 0.291 20 0 CCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219980692 804464343 /nfs/dbraw/zinc/46/43/43/804464343.db2.gz NEUVNTTXSBYKLP-STQMWFEESA-N 2 3 270.421 0.291 20 0 CCADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252233 804549918 /nfs/dbraw/zinc/54/99/18/804549918.db2.gz RXXLDPWVIYIMKG-ZIAGYGMSSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252233 804549922 /nfs/dbraw/zinc/54/99/22/804549922.db2.gz RXXLDPWVIYIMKG-ZIAGYGMSSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252233 804549924 /nfs/dbraw/zinc/54/99/24/804549924.db2.gz RXXLDPWVIYIMKG-ZIAGYGMSSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252233 804549928 /nfs/dbraw/zinc/54/99/28/804549928.db2.gz RXXLDPWVIYIMKG-ZIAGYGMSSA-N 2 3 294.443 0.461 20 0 CCADHP CC(C)CN(C(=O)[C@H](N)CCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187615 804741706 /nfs/dbraw/zinc/74/17/06/804741706.db2.gz BYEFXVNBRNXUJI-MGPQQGTHSA-N 2 3 284.448 0.807 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@@H](N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)C2 ZINC001246133462 807162129 /nfs/dbraw/zinc/16/21/29/807162129.db2.gz JNMUPDFXWOJYKQ-KJWHEZOQSA-N 2 3 265.401 0.485 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@H](N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)C2 ZINC001246133455 807162789 /nfs/dbraw/zinc/16/27/89/807162789.db2.gz JNMUPDFXWOJYKQ-JARUQAPTSA-N 2 3 265.401 0.485 20 0 CCADHP C1CNC[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001246143182 807164707 /nfs/dbraw/zinc/16/47/07/807164707.db2.gz UONWXTCIYQARDB-CQSZACIVSA-N 2 3 266.433 0.544 20 0 CCADHP C[C@@H]1CC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246149165 807167475 /nfs/dbraw/zinc/16/74/75/807167475.db2.gz UCAWDLKGQGORDU-MGPQQGTHSA-N 2 3 280.460 0.979 20 0 CCADHP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3)CCN2 ZINC001246335556 807225093 /nfs/dbraw/zinc/22/50/93/807225093.db2.gz YUZOAGCQJOEFRG-RQJABVFESA-N 2 3 264.417 0.343 20 0 CCADHP CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246337893 807226108 /nfs/dbraw/zinc/22/61/08/807226108.db2.gz XHFQDBNAYYWPIZ-HZSPNIEDSA-N 2 3 266.433 0.543 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544169 807281312 /nfs/dbraw/zinc/28/13/12/807281312.db2.gz PIOBLHDABXZODX-LXTVHRRPSA-N 2 3 267.417 0.835 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544169 807281315 /nfs/dbraw/zinc/28/13/15/807281315.db2.gz PIOBLHDABXZODX-LXTVHRRPSA-N 2 3 267.417 0.835 20 0 CCADHP CCOC(=O)[C@@]12C[N@@H+](C3CCNCC3)C[C@@H]1CC[NH2+]CC2 ZINC001246683867 807355135 /nfs/dbraw/zinc/35/51/35/807355135.db2.gz VCSWLXSBQCXWTF-BBRMVZONSA-N 2 3 295.427 0.603 20 0 CCADHP CCOC(=O)[C@@]12C[N@H+](C3CCNCC3)C[C@@H]1CC[NH2+]CC2 ZINC001246683867 807355144 /nfs/dbraw/zinc/35/51/44/807355144.db2.gz VCSWLXSBQCXWTF-BBRMVZONSA-N 2 3 295.427 0.603 20 0 CCADHP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747211 807370877 /nfs/dbraw/zinc/37/08/77/807370877.db2.gz KNSCUKTVINIGKI-XUWVNRHRSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747211 807370886 /nfs/dbraw/zinc/37/08/86/807370886.db2.gz KNSCUKTVINIGKI-XUWVNRHRSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@H]1CC[C@@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1 ZINC001246089118 839602953 /nfs/dbraw/zinc/60/29/53/839602953.db2.gz OPJLEMLZHOZDBZ-UONOGXRCSA-N 2 3 254.422 0.402 20 0 CCADHP C[C@H]1C[C@H]([NH2+]CCCOC2CC[NH2+]CC2)CCN1 ZINC001246112978 839624452 /nfs/dbraw/zinc/62/44/52/839624452.db2.gz HEQLOXSFVTYFEN-QWHCGFSZSA-N 2 3 255.406 0.875 20 0 CCADHP C[C@@H]1CC[N@H+](CC[C@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC001205602745 845868912 /nfs/dbraw/zinc/86/89/12/845868912.db2.gz LZGQCVDAXMNXMT-RDBSUJKOSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1CC[N@@H+](CC[C@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC001205602745 845868918 /nfs/dbraw/zinc/86/89/18/845868918.db2.gz LZGQCVDAXMNXMT-RDBSUJKOSA-N 2 3 255.406 0.672 20 0 CCADHP C[NH+](C)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000042388502 348277881 /nfs/dbraw/zinc/27/78/81/348277881.db2.gz VUGSTHNULVUNLK-UHFFFAOYSA-N 2 3 254.422 0.165 20 0 CCADHP [NH3+]CCCOC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000567872346 358603205 /nfs/dbraw/zinc/60/32/05/358603205.db2.gz UIGKISLHZNFWLJ-CYBMUJFWSA-N 2 3 255.406 0.816 20 0 CCADHP [NH3+]CCCOC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000567872346 358603208 /nfs/dbraw/zinc/60/32/08/358603208.db2.gz UIGKISLHZNFWLJ-CYBMUJFWSA-N 2 3 255.406 0.816 20 0 CCADHP [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000564211395 291270363 /nfs/dbraw/zinc/27/03/63/291270363.db2.gz FFTPBKHRAMGZML-JKSUJKDBSA-N 2 3 296.459 0.110 20 0 CCADHP CCOC(=O)C1([C@@H](C)NCC[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000598734342 361501064 /nfs/dbraw/zinc/50/10/64/361501064.db2.gz GFWZBKFEXAGDTN-NWDGAFQWSA-N 2 3 271.405 0.635 20 0 CCADHP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569578254 291689991 /nfs/dbraw/zinc/68/99/91/291689991.db2.gz LLEXBDCSPYYLFC-KGLIPLIRSA-N 2 3 299.463 0.119 20 0 CCADHP C[N@H+](CCCO)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346995900 389344258 /nfs/dbraw/zinc/34/42/58/389344258.db2.gz VNMJEGKTOUQYHV-UHFFFAOYSA-N 2 3 269.433 0.765 20 0 CCADHP C[N@@H+](CCCO)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346995900 389344260 /nfs/dbraw/zinc/34/42/60/389344260.db2.gz VNMJEGKTOUQYHV-UHFFFAOYSA-N 2 3 269.433 0.765 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000422820497 389481830 /nfs/dbraw/zinc/48/18/30/389481830.db2.gz QYMYGEWYSCGHBC-GDBMZVCRSA-N 2 3 282.476 0.990 20 0 CCADHP C(CN1CCN([C@H]2CC[NH2+]C2)CC1)C1CC[NH2+]CC1 ZINC000647966939 390233158 /nfs/dbraw/zinc/23/31/58/390233158.db2.gz WOVWGIAFOPRHMN-HNNXBMFYSA-N 2 3 266.433 0.356 20 0 CCADHP COCC1(CN[C@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]CC1 ZINC000647547161 390839804 /nfs/dbraw/zinc/83/98/04/390839804.db2.gz PLOBDKCXIQLBPR-QWHCGFSZSA-N 2 3 255.406 0.590 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCN2CC[NH2+]CC2)C1 ZINC000652363658 412038714 /nfs/dbraw/zinc/03/87/14/412038714.db2.gz KNWVGZCVRIXHAO-PMPSAXMXSA-N 2 3 296.459 0.252 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273254 414703641 /nfs/dbraw/zinc/70/36/41/414703641.db2.gz KVUWZFAFYWQXHX-MJBXVCDLSA-N 2 3 265.401 0.439 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273254 414703642 /nfs/dbraw/zinc/70/36/42/414703642.db2.gz KVUWZFAFYWQXHX-MJBXVCDLSA-N 2 3 265.401 0.439 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903791292 617001934 /nfs/dbraw/zinc/00/19/34/617001934.db2.gz QZBDGSXFGWFDKN-AWEZNQCLSA-N 2 3 257.422 0.654 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923365815 613224189 /nfs/dbraw/zinc/22/41/89/613224189.db2.gz ZJHXYZBRCCPTGI-QLFBSQMISA-N 2 3 279.428 0.829 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782032 614854021 /nfs/dbraw/zinc/85/40/21/614854021.db2.gz DUKOJIMMMWFGOW-UPJWGTAASA-N 2 3 267.417 0.861 20 0 CCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782032 614854023 /nfs/dbraw/zinc/85/40/23/614854023.db2.gz DUKOJIMMMWFGOW-UPJWGTAASA-N 2 3 267.417 0.861 20 0 CCADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)CC2CC2)C[C@H]1C[NH+](C)C ZINC000884453589 615929797 /nfs/dbraw/zinc/92/97/97/615929797.db2.gz SWVSCSFAQZZXEP-RBSFLKMASA-N 2 3 296.459 0.312 20 0 CCADHP C[N@@H+]1CCCN(CCCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925607169 616185991 /nfs/dbraw/zinc/18/59/91/616185991.db2.gz ADQQYUFFOLWEAB-VIQHNZTISA-N 2 3 292.471 0.600 20 0 CCADHP C[N@H+]1CCCN(CCCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925607169 616185992 /nfs/dbraw/zinc/18/59/92/616185992.db2.gz ADQQYUFFOLWEAB-VIQHNZTISA-N 2 3 292.471 0.600 20 0 CCADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713518 634634103 /nfs/dbraw/zinc/63/41/03/634634103.db2.gz UHTYSLIBZIENRG-KGLIPLIRSA-N 2 3 282.432 0.163 20 0 CCADHP [NH3+]CC1(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903980048 634701156 /nfs/dbraw/zinc/70/11/56/634701156.db2.gz FDKSLJDFEDOGPW-GASCZTMLSA-N 2 3 278.444 0.626 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246129179 807160490 /nfs/dbraw/zinc/16/04/90/807160490.db2.gz SWBBFLQESMIEIU-CHWSQXEVSA-N 2 3 252.406 0.202 20 0 CCADHP C([NH2+]C1CCNCC1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246158225 807171947 /nfs/dbraw/zinc/17/19/47/807171947.db2.gz UDESWFSCCRFOAG-JSGCOSHPSA-N 2 3 253.390 0.487 20 0 CCADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](N)CCC[NH3+])C2 ZINC001220716673 811742373 /nfs/dbraw/zinc/74/23/73/811742373.db2.gz NUBSDWPSCCHWQN-FVCCEPFGSA-N 2 3 268.405 0.184 20 0 CCADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](N)CCC[NH3+])C2 ZINC001220716673 811742375 /nfs/dbraw/zinc/74/23/75/811742375.db2.gz NUBSDWPSCCHWQN-FVCCEPFGSA-N 2 3 268.405 0.184 20 0 CCADHP [NH3+]Cc1cccc(CN2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205726618 803167308 /nfs/dbraw/zinc/16/73/08/803167308.db2.gz VJQSAULLCGIIGV-HNNXBMFYSA-N 2 3 263.385 0.821 20 0 CCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219978304 804463717 /nfs/dbraw/zinc/46/37/17/804463717.db2.gz KMBHLDNAVKVOTO-SQWLQELKSA-N 2 3 294.443 0.034 20 0 CCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219978304 804463723 /nfs/dbraw/zinc/46/37/23/804463723.db2.gz KMBHLDNAVKVOTO-SQWLQELKSA-N 2 3 294.443 0.034 20 0 CCADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220062057 804490459 /nfs/dbraw/zinc/49/04/59/804490459.db2.gz LBVNETDBMCWMPV-ZFWWWQNUSA-N 2 3 296.459 0.694 20 0 CCADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220062057 804490464 /nfs/dbraw/zinc/49/04/64/804490464.db2.gz LBVNETDBMCWMPV-ZFWWWQNUSA-N 2 3 296.459 0.694 20 0 CCADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCC[NH3+] ZINC001220221265 804541831 /nfs/dbraw/zinc/54/18/31/804541831.db2.gz XJWNZHXQBQNEHG-WOPDTQHZSA-N 2 3 256.394 0.042 20 0 CCADHP CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245984253 807107041 /nfs/dbraw/zinc/10/70/41/807107041.db2.gz IUDJLWFVHRTXRK-KBPBESRZSA-N 2 3 298.475 0.199 20 0 CCADHP C[NH+](C)C1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246083410 807147102 /nfs/dbraw/zinc/14/71/02/807147102.db2.gz OWTMMEHIEZDLBA-CLRIEMFWSA-N 2 3 273.396 0.511 20 0 CCADHP COC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246095930 807151038 /nfs/dbraw/zinc/15/10/38/807151038.db2.gz GZOABDDVBDUFFB-FUNVUKJBSA-N 2 3 281.400 0.402 20 0 CCADHP C(C[C@H]1CCOC12CC[NH2+]CC2)N[C@H]1CCC[NH2+]C1 ZINC001246143183 807164847 /nfs/dbraw/zinc/16/48/47/807164847.db2.gz UOQYEFADNWQPEI-KBPBESRZSA-N 2 3 267.417 0.877 20 0 CCADHP OC1(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246188919 807181761 /nfs/dbraw/zinc/18/17/61/807181761.db2.gz YAFPWTNTPFVUJE-FUNVUKJBSA-N 2 3 253.390 0.364 20 0 CCADHP C[C@@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1N ZINC001246563040 807290159 /nfs/dbraw/zinc/29/01/59/807290159.db2.gz NXZUNGPNBACHFT-NELGMTEASA-N 2 3 253.390 0.567 20 0 CCADHP C[C@@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1N ZINC001246563040 807290160 /nfs/dbraw/zinc/29/01/60/807290160.db2.gz NXZUNGPNBACHFT-NELGMTEASA-N 2 3 253.390 0.567 20 0 CCADHP C[C@@H]1CC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@@H](C)N1 ZINC001246594678 807313265 /nfs/dbraw/zinc/31/32/65/807313265.db2.gz KSOANUAWRNEBTH-CHWSQXEVSA-N 2 3 266.433 0.543 20 0 CCADHP C[C@@H]1CC([N@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@@H](C)N1 ZINC001246594678 807313273 /nfs/dbraw/zinc/31/32/73/807313273.db2.gz KSOANUAWRNEBTH-CHWSQXEVSA-N 2 3 266.433 0.543 20 0 CCADHP C[C@@H]1CC(N2CCNC3(CC[NH2+]CC3)C2)C[C@@H](C)[NH2+]1 ZINC001246594678 807313283 /nfs/dbraw/zinc/31/32/83/807313283.db2.gz KSOANUAWRNEBTH-CHWSQXEVSA-N 2 3 266.433 0.543 20 0 CCADHP CC(C)[C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246604824 807320316 /nfs/dbraw/zinc/32/03/16/807320316.db2.gz OGFBXWQGOOGZGM-CABCVRRESA-N 2 3 280.460 0.790 20 0 CCADHP CC[NH+](CC)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219555694 811683490 /nfs/dbraw/zinc/68/34/90/811683490.db2.gz NLTFJSOIBBCJKB-CYBMUJFWSA-N 2 3 282.432 0.319 20 0 CCADHP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1 ZINC001246125954 839633615 /nfs/dbraw/zinc/63/36/15/839633615.db2.gz FNRQHYFLSQSNAJ-SYQHCUMBSA-N 2 3 252.406 0.010 20 0 CCADHP CC(C)[C@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246604833 840167498 /nfs/dbraw/zinc/16/74/98/840167498.db2.gz OGFBXWQGOOGZGM-HUUCEWRRSA-N 2 3 280.460 0.790 20 0 CCADHP N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001119632372 856795813 /nfs/dbraw/zinc/79/58/13/856795813.db2.gz SPBYHWSTCWBEKI-QJPTWQEYSA-N 2 3 267.373 0.141 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001339226937 921688022 /nfs/dbraw/zinc/68/80/22/921688022.db2.gz YBHWAHDHQNDAGR-AGIUHOORSA-N 2 3 268.405 0.043 20 0 CCADHP CC(C)C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000568879036 358713840 /nfs/dbraw/zinc/71/38/40/358713840.db2.gz DPERIFOPOZEVEQ-ILXRZTDVSA-N 2 3 298.475 0.938 20 0 CCADHP CCOC(=O)C1([C@H](C)NC[C@@H](C)C[NH2+]C)CC[NH2+]CC1 ZINC000423267817 389558451 /nfs/dbraw/zinc/55/84/51/389558451.db2.gz FGWVKBSGCWWMBM-STQMWFEESA-N 2 3 285.432 0.753 20 0 CCADHP C(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CN1CC[NH2+]CC1 ZINC000414787862 389637527 /nfs/dbraw/zinc/63/75/27/389637527.db2.gz CVIDEGKSCAINOI-XHSDSOJGSA-N 2 3 280.460 0.792 20 0 CCADHP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000433138124 389900729 /nfs/dbraw/zinc/90/07/29/389900729.db2.gz WQBGXYBKZQYYKN-CQSZACIVSA-N 2 3 294.443 0.543 20 0 CCADHP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000433138124 389900731 /nfs/dbraw/zinc/90/07/31/389900731.db2.gz WQBGXYBKZQYYKN-CQSZACIVSA-N 2 3 294.443 0.543 20 0 CCADHP CN1CCCN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793264 390172793 /nfs/dbraw/zinc/17/27/93/390172793.db2.gz QYDVQSRXMLQENL-YESZJQIVSA-N 2 3 294.487 0.992 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000580074202 390217888 /nfs/dbraw/zinc/21/78/88/390217888.db2.gz IJTXYNIREZSZAL-LXTVHRRPSA-N 2 3 294.443 0.243 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000580074202 390217890 /nfs/dbraw/zinc/21/78/90/390217890.db2.gz IJTXYNIREZSZAL-LXTVHRRPSA-N 2 3 294.443 0.243 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000572879713 390809436 /nfs/dbraw/zinc/80/94/36/390809436.db2.gz SXTYGQTTWSOWBD-AWEZNQCLSA-N 2 3 294.443 0.259 20 0 CCADHP CN1CCC(O)(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400977483 411780130 /nfs/dbraw/zinc/78/01/30/411780130.db2.gz HAVWUOREGLTDIC-MELADBBJSA-N 2 3 267.417 0.421 20 0 CCADHP [NH3+]CC[C@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662273247 414703870 /nfs/dbraw/zinc/70/38/70/414703870.db2.gz NCJXYDBQTOQYED-OLZOCXBDSA-N 2 3 253.390 0.711 20 0 CCADHP [NH3+]CCCOC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662247417 414699371 /nfs/dbraw/zinc/69/93/71/414699371.db2.gz GIKDLBRHRSRNNK-CQSZACIVSA-N 2 3 283.416 0.337 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000665289173 415588194 /nfs/dbraw/zinc/58/81/94/415588194.db2.gz IIAPDPOVBHYRSG-ZFWWWQNUSA-N 2 3 296.459 0.565 20 0 CCADHP CC[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000903747707 634634709 /nfs/dbraw/zinc/63/47/09/634634709.db2.gz VEFZNBMVEQCSEV-CBBWQLFWSA-N 2 3 267.417 0.814 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@@H](C)CCCC[NH3+])cnn1C ZINC000903918820 634685145 /nfs/dbraw/zinc/68/51/45/634685145.db2.gz IVHDVFKIMCRJGY-GXTWGEPZSA-N 2 3 281.448 0.953 20 0 CCADHP C[C@@H](NCCN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000925817663 631307004 /nfs/dbraw/zinc/30/70/04/631307004.db2.gz UYJVRSYVXYFIES-OLZOCXBDSA-N 2 3 254.422 0.387 20 0 CCADHP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925712959 648455704 /nfs/dbraw/zinc/45/57/04/648455704.db2.gz WHMAGHAWIXNCFY-LBDPXKHJSA-N 2 3 280.460 0.933 20 0 CCADHP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925712959 648455705 /nfs/dbraw/zinc/45/57/05/648455705.db2.gz WHMAGHAWIXNCFY-LBDPXKHJSA-N 2 3 280.460 0.933 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160973969 802056129 /nfs/dbraw/zinc/05/61/29/802056129.db2.gz WYALOPDKJUEDEW-MNOVXSKESA-N 2 3 292.374 0.241 20 0 CCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161048904 802076294 /nfs/dbraw/zinc/07/62/94/802076294.db2.gz AKBFBQVOISIYED-ZIAGYGMSSA-N 2 3 282.432 0.254 20 0 CCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161048904 802076302 /nfs/dbraw/zinc/07/63/02/802076302.db2.gz AKBFBQVOISIYED-ZIAGYGMSSA-N 2 3 282.432 0.254 20 0 CCADHP CCN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161333971 802131511 /nfs/dbraw/zinc/13/15/11/802131511.db2.gz YSQNTNVOZRFIBI-UONOGXRCSA-N 2 3 294.443 0.461 20 0 CCADHP CCN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCC[NH2+]C1 ZINC001161333971 802131507 /nfs/dbraw/zinc/13/15/07/802131507.db2.gz YSQNTNVOZRFIBI-UONOGXRCSA-N 2 3 294.443 0.461 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161446768 802155679 /nfs/dbraw/zinc/15/56/79/802155679.db2.gz UTWCVJRDMREDJS-RDBSUJKOSA-N 2 3 296.459 0.502 20 0 CCADHP CN(C)CCN(C(=O)C[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161448736 802155825 /nfs/dbraw/zinc/15/58/25/802155825.db2.gz GXSUJCGIUSHOIT-HUUCEWRRSA-N 2 3 296.459 0.661 20 0 CCADHP C[NH+](C)CCN1CC2(C1)CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001276453584 803075341 /nfs/dbraw/zinc/07/53/41/803075341.db2.gz LFYOBPRYZMBVIS-UHFFFAOYSA-N 2 3 294.487 0.898 20 0 CCADHP [NH3+]Cc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205681101 803154147 /nfs/dbraw/zinc/15/41/47/803154147.db2.gz FJJUXTZHHLLYOB-HNNXBMFYSA-N 2 3 263.385 0.821 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219817322 804427485 /nfs/dbraw/zinc/42/74/85/804427485.db2.gz XHPMWASIANFBNR-ZNMIVQPWSA-N 2 3 290.411 0.662 20 0 CCADHP [NH3+]C1(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCCC1 ZINC001220494632 804615683 /nfs/dbraw/zinc/61/56/83/804615683.db2.gz PNHHZRGYAYJHCC-GFCCVEGCSA-N 2 3 280.416 0.248 20 0 CCADHP [NH3+]C1(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCCC1 ZINC001220494632 804615692 /nfs/dbraw/zinc/61/56/92/804615692.db2.gz PNHHZRGYAYJHCC-GFCCVEGCSA-N 2 3 280.416 0.248 20 0 CCADHP CN1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221240887 804754391 /nfs/dbraw/zinc/75/43/91/804754391.db2.gz GSZXMCMTNXAFRT-AAEUAGOBSA-N 2 3 256.394 0.043 20 0 CCADHP C[C@@]1(C[NH3+])CCCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246022838 807121906 /nfs/dbraw/zinc/12/19/06/807121906.db2.gz PHNZSSIODBFYKS-CABCVRRESA-N 2 3 299.459 0.303 20 0 CCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028387 807124855 /nfs/dbraw/zinc/12/48/55/807124855.db2.gz BGBFKKYJMXCGQT-YESZJQIVSA-N 2 3 291.439 0.978 20 0 CCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028387 807124859 /nfs/dbraw/zinc/12/48/59/807124859.db2.gz BGBFKKYJMXCGQT-YESZJQIVSA-N 2 3 291.439 0.978 20 0 CCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028367 807125717 /nfs/dbraw/zinc/12/57/17/807125717.db2.gz BGBFKKYJMXCGQT-IXDOHACOSA-N 2 3 291.439 0.978 20 0 CCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028367 807125722 /nfs/dbraw/zinc/12/57/22/807125722.db2.gz BGBFKKYJMXCGQT-IXDOHACOSA-N 2 3 291.439 0.978 20 0 CCADHP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246147454 807167413 /nfs/dbraw/zinc/16/74/13/807167413.db2.gz KTAGUUIVPXJBJC-MQYQWHSLSA-N 2 3 253.390 0.628 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246155844 807170778 /nfs/dbraw/zinc/17/07/78/807170778.db2.gz GOVKPSODRNZVPB-MCIONIFRSA-N 2 3 253.390 0.487 20 0 CCADHP C[C@H]1C[C@@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246156231 807171418 /nfs/dbraw/zinc/17/14/18/807171418.db2.gz KGIREKFRQUTVDX-HTVCTNPSSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@H]1C[C@@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246156231 807171420 /nfs/dbraw/zinc/17/14/20/807171420.db2.gz KGIREKFRQUTVDX-HTVCTNPSSA-N 2 3 253.390 0.341 20 0 CCADHP C([NH2+]C1CCNCC1)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246158224 807172588 /nfs/dbraw/zinc/17/25/88/807172588.db2.gz UDESWFSCCRFOAG-GXTWGEPZSA-N 2 3 253.390 0.487 20 0 CCADHP [NH3+]CCNCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246406823 807244731 /nfs/dbraw/zinc/24/47/31/807244731.db2.gz VDBCTODOHHYQQQ-CABCVRRESA-N 2 3 262.401 0.618 20 0 CCADHP [NH3+]C[C@H]1CN(C2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1O ZINC001246580194 807302746 /nfs/dbraw/zinc/30/27/46/807302746.db2.gz KYXDLANVKVOGHY-WFASDCNBSA-N 2 3 276.384 0.302 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620210 807328554 /nfs/dbraw/zinc/32/85/54/807328554.db2.gz WOEUYEOMOUOTIT-QZWWFDLISA-N 2 3 292.471 0.935 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620210 807328561 /nfs/dbraw/zinc/32/85/61/807328561.db2.gz WOEUYEOMOUOTIT-QZWWFDLISA-N 2 3 292.471 0.935 20 0 CCADHP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620446 807328985 /nfs/dbraw/zinc/32/89/85/807328985.db2.gz YKQHXILVHASOCD-RDBSUJKOSA-N 2 3 264.417 0.154 20 0 CCADHP C1[NH2+]CC12CC[C@@H]([N@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620446 807328994 /nfs/dbraw/zinc/32/89/94/807328994.db2.gz YKQHXILVHASOCD-RDBSUJKOSA-N 2 3 264.417 0.154 20 0 CCADHP F[C@@H]1CCNC[C@@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693902 807355989 /nfs/dbraw/zinc/35/59/89/807355989.db2.gz RFMLAKMQQQMFMR-BFHYXJOUSA-N 2 3 282.407 0.104 20 0 CCADHP F[C@@H]1CCNC[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693902 807355997 /nfs/dbraw/zinc/35/59/97/807355997.db2.gz RFMLAKMQQQMFMR-BFHYXJOUSA-N 2 3 282.407 0.104 20 0 CCADHP c1ncn([C@@H]2CC[NH2+]C3(CNC3)C2)c1C1CC[NH2+]CC1 ZINC001246868144 807415272 /nfs/dbraw/zinc/41/52/72/807415272.db2.gz QWHYAYYTCYLSLW-CYBMUJFWSA-N 2 3 275.400 0.617 20 0 CCADHP CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022309 839583348 /nfs/dbraw/zinc/58/33/48/839583348.db2.gz QOOKNONRTSQLBE-ZIAGYGMSSA-N 2 3 275.412 0.842 20 0 CCADHP CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022309 839583355 /nfs/dbraw/zinc/58/33/55/839583355.db2.gz QOOKNONRTSQLBE-ZIAGYGMSSA-N 2 3 275.412 0.842 20 0 CCADHP CC[NH+]1CCC(N(C)C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160537220 839999635 /nfs/dbraw/zinc/99/96/35/839999635.db2.gz ITMUZCINSJXHOK-CZUORRHYSA-N 2 3 294.443 0.128 20 0 CCADHP C[N@H+]1CCC[C@@H](N2CCN(CCCC[NH3+])CC2)CC1 ZINC001254515581 852622309 /nfs/dbraw/zinc/62/23/09/852622309.db2.gz YVEWTVXROPTXNH-OAHLLOKOSA-N 2 3 268.449 0.827 20 0 CCADHP C[N@@H+]1CCC[C@@H](N2CCN(CCCC[NH3+])CC2)CC1 ZINC001254515581 852622300 /nfs/dbraw/zinc/62/23/00/852622300.db2.gz YVEWTVXROPTXNH-OAHLLOKOSA-N 2 3 268.449 0.827 20 0 CCADHP C[C@H](C[C@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786353 233680649 /nfs/dbraw/zinc/68/06/49/233680649.db2.gz ATYXFRUJAPDNDY-ZIAGYGMSSA-N 2 3 254.422 0.402 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629541625 369697550 /nfs/dbraw/zinc/69/75/50/369697550.db2.gz XVCVQOPNKCDSNZ-MJBXVCDLSA-N 2 3 255.406 0.862 20 0 CCADHP [NH3+][C@H]1CCC[C@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635011156 372341483 /nfs/dbraw/zinc/34/14/83/372341483.db2.gz MPOILPNEMJXJJI-QWHCGFSZSA-N 2 3 261.373 0.783 20 0 CCADHP C[C@H](NCC1CC[NH+](CCN(C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422740777 389463448 /nfs/dbraw/zinc/46/34/48/389463448.db2.gz NEILELODWNJAQT-GOEBONIOSA-N 2 3 282.476 0.990 20 0 CCADHP C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000422820498 389481767 /nfs/dbraw/zinc/48/17/67/389481767.db2.gz QYMYGEWYSCGHBC-GOEBONIOSA-N 2 3 282.476 0.990 20 0 CCADHP COC[C@]1(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC[NH2+]1 ZINC000647547000 390839097 /nfs/dbraw/zinc/83/90/97/390839097.db2.gz KCZIJWNKSAPRAX-BYNSBNAKSA-N 2 3 267.417 0.733 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652340939 412031949 /nfs/dbraw/zinc/03/19/49/412031949.db2.gz OADLMTVUKZDINP-ZNMIVQPWSA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652340939 412031951 /nfs/dbraw/zinc/03/19/51/412031951.db2.gz OADLMTVUKZDINP-ZNMIVQPWSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652340939 412031956 /nfs/dbraw/zinc/03/19/56/412031956.db2.gz OADLMTVUKZDINP-ZNMIVQPWSA-N 2 3 269.433 0.668 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663498754 415080779 /nfs/dbraw/zinc/08/07/79/415080779.db2.gz TWBHDOCEQUFXFT-XFIYOXNOSA-N 2 3 279.428 0.957 20 0 CCADHP CC(C)(C)[C@@]1(C[NH3+])CCN(CCN2CC[NH2+]CC2)C1 ZINC000866708967 614032386 /nfs/dbraw/zinc/03/23/86/614032386.db2.gz UBEXZVFTKYUQHJ-OAHLLOKOSA-N 2 3 268.449 0.589 20 0 CCADHP CCCN(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022521 614515141 /nfs/dbraw/zinc/51/51/41/614515141.db2.gz UCDXODQUUJNPOA-HUUCEWRRSA-N 2 3 298.475 0.526 20 0 CCADHP CC[NH+]1CCC(NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925859469 615101532 /nfs/dbraw/zinc/10/15/32/615101532.db2.gz YQGDPFBCRHDHSP-CQSZACIVSA-N 2 3 295.427 0.746 20 0 CCADHP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCCN1 ZINC000925815889 615535646 /nfs/dbraw/zinc/53/56/46/615535646.db2.gz BPUXYPFWWMKMRB-CABCVRRESA-N 2 3 268.449 0.920 20 0 CCADHP C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CCC([NH3+])CC1 ZINC000843055335 616135521 /nfs/dbraw/zinc/13/55/21/616135521.db2.gz YZFNJIGQEAUDTB-HSBZDZAISA-N 2 3 282.432 0.385 20 0 CCADHP C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CCC([NH3+])CC1 ZINC000843055335 616135522 /nfs/dbraw/zinc/13/55/22/616135522.db2.gz YZFNJIGQEAUDTB-HSBZDZAISA-N 2 3 282.432 0.385 20 0 CCADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713520 634634129 /nfs/dbraw/zinc/63/41/29/634634129.db2.gz UHTYSLIBZIENRG-ZIAGYGMSSA-N 2 3 282.432 0.163 20 0 CCADHP NCc1cn(-c2cccc(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)c2)nn1 ZINC000904385163 634741799 /nfs/dbraw/zinc/74/17/99/634741799.db2.gz TYZAMDGJFUNWNR-BETUJISGSA-N 2 3 286.383 0.553 20 0 CCADHP C[C@@H](NCCN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000925817662 631307396 /nfs/dbraw/zinc/30/73/96/631307396.db2.gz UYJVRSYVXYFIES-CHWSQXEVSA-N 2 3 254.422 0.387 20 0 CCADHP C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](CN)C1 ZINC000923388387 640117685 /nfs/dbraw/zinc/11/76/85/640117685.db2.gz JHOKBZXSDJOBFL-AGIUHOORSA-N 2 3 253.390 0.424 20 0 CCADHP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](CN)C1 ZINC000923388387 640117690 /nfs/dbraw/zinc/11/76/90/640117690.db2.gz JHOKBZXSDJOBFL-AGIUHOORSA-N 2 3 253.390 0.424 20 0 CCADHP CC(C)N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CC[NH2+]C1 ZINC001161352268 791263240 /nfs/dbraw/zinc/26/32/40/791263240.db2.gz TUOHCAKCBCPVER-KBPBESRZSA-N 2 3 294.443 0.460 20 0 CCADHP CC(C)N(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161352268 791263251 /nfs/dbraw/zinc/26/32/51/791263251.db2.gz TUOHCAKCBCPVER-KBPBESRZSA-N 2 3 294.443 0.460 20 0 CCADHP CC1(C)[NH2+]C[C@@H](CN2CCC3(CC[C@H]3[NH3+])CC2)O1 ZINC001237355941 806655106 /nfs/dbraw/zinc/65/51/06/806655106.db2.gz FIKLXOXNEPHZGD-NWDGAFQWSA-N 2 3 253.390 0.914 20 0 CCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161051645 802078042 /nfs/dbraw/zinc/07/80/42/802078042.db2.gz XMXLUUXZLMMMBZ-IJEWVQPXSA-N 2 3 294.443 0.127 20 0 CCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161051645 802078045 /nfs/dbraw/zinc/07/80/45/802078045.db2.gz XMXLUUXZLMMMBZ-IJEWVQPXSA-N 2 3 294.443 0.127 20 0 CCADHP CC(C)(C)CN(C(=O)[C@H](N)CCC[NH3+])C1CC[NH2+]CC1 ZINC001161259101 802116543 /nfs/dbraw/zinc/11/65/43/802116543.db2.gz VPSYMJZUSVUPDY-CYBMUJFWSA-N 2 3 284.448 0.679 20 0 CCADHP CN(C)CCN(C(=O)C=C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161448514 802155427 /nfs/dbraw/zinc/15/54/27/802155427.db2.gz DMCODZXFZGWOGJ-OAHLLOKOSA-N 2 3 294.443 0.438 20 0 CCADHP N[C@H](C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001220163004 804524186 /nfs/dbraw/zinc/52/41/86/804524186.db2.gz NMSCRSHTYYZXDQ-DZKIICNBSA-N 2 3 294.443 0.352 20 0 CCADHP C[NH+](C)CCC(C)(C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220385814 804591591 /nfs/dbraw/zinc/59/15/91/804591591.db2.gz BIERJFPEUSIGPG-IUODEOHRSA-N 2 3 282.432 0.032 20 0 CCADHP CC(C)N(C(=O)[C@H](N)C1CC[NH2+]CC1)C(C)(C)C[NH3+] ZINC001221394795 804800835 /nfs/dbraw/zinc/80/08/35/804800835.db2.gz HWLJSOXSQRDGPW-GFCCVEGCSA-N 2 3 270.421 0.288 20 0 CCADHP C(CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC001222491525 804904824 /nfs/dbraw/zinc/90/48/24/804904824.db2.gz DJVZHKVWQBPZGJ-GJZGRUSLSA-N 2 3 266.433 0.402 20 0 CCADHP C[C@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246140643 807164189 /nfs/dbraw/zinc/16/41/89/807164189.db2.gz OOXZGPLWEYVDOF-ZFWWWQNUSA-N 2 3 280.460 0.933 20 0 CCADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563762 807292809 /nfs/dbraw/zinc/29/28/09/807292809.db2.gz LRRFKCSBPZAUMH-UPJWGTAASA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563762 807292814 /nfs/dbraw/zinc/29/28/14/807292814.db2.gz LRRFKCSBPZAUMH-UPJWGTAASA-N 2 3 252.406 0.140 20 0 CCADHP CCOCC[N@H+](C1CCNCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246950410 807439393 /nfs/dbraw/zinc/43/93/93/807439393.db2.gz PJIFNWDWXWQZKN-OAHLLOKOSA-N 2 3 296.459 0.171 20 0 CCADHP CCOCC[N@@H+](C1CCNCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246950410 807439396 /nfs/dbraw/zinc/43/93/96/807439396.db2.gz PJIFNWDWXWQZKN-OAHLLOKOSA-N 2 3 296.459 0.171 20 0 CCADHP O[C@@]1(CN2CCC(C3CC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC001246059174 839589301 /nfs/dbraw/zinc/58/93/01/839589301.db2.gz YMSYHQQUQDCBOC-INIZCTEOSA-N 2 3 281.444 0.813 20 0 CCADHP C[NH2+]C1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246083833 839598892 /nfs/dbraw/zinc/59/88/92/839598892.db2.gz PXDNFBCWBQZQPS-IFWUJCSASA-N 2 3 259.369 0.169 20 0 CCADHP C[C@@H]1CC[C@@H](CN[C@H]2CCOC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246112097 839623621 /nfs/dbraw/zinc/62/36/21/839623621.db2.gz KUESUKWFNNUFKV-AGIUHOORSA-N 2 3 253.390 0.485 20 0 CCADHP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1 ZINC001246125952 839634253 /nfs/dbraw/zinc/63/42/53/839634253.db2.gz FNRQHYFLSQSNAJ-MQYQWHSLSA-N 2 3 252.406 0.010 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246141374 839641698 /nfs/dbraw/zinc/64/16/98/839641698.db2.gz KGIREKFRQUTVDX-QMVSFRDZSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246141374 839641701 /nfs/dbraw/zinc/64/17/01/839641701.db2.gz KGIREKFRQUTVDX-QMVSFRDZSA-N 2 3 253.390 0.341 20 0 CCADHP C(C[C@@H]1CCCC[NH2+]1)N[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246241921 839735781 /nfs/dbraw/zinc/73/57/81/839735781.db2.gz CYZKDJHLYDPKAD-RYUDHWBXSA-N 2 3 255.431 0.956 20 0 CCADHP C[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[NH2+]1 ZINC001246478422 839865854 /nfs/dbraw/zinc/86/58/54/839865854.db2.gz ONDJDYLUTLZACV-KGLIPLIRSA-N 2 3 254.422 0.483 20 0 CCADHP NC[C@@H]1CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589914 840134697 /nfs/dbraw/zinc/13/46/97/840134697.db2.gz GNXMKQHNOSACCP-STQMWFEESA-N 2 3 252.406 0.141 20 0 CCADHP NC[C@@H]1CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589914 840134702 /nfs/dbraw/zinc/13/47/02/840134702.db2.gz GNXMKQHNOSACCP-STQMWFEESA-N 2 3 252.406 0.141 20 0 CCADHP N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001119632371 856795136 /nfs/dbraw/zinc/79/51/36/856795136.db2.gz SPBYHWSTCWBEKI-IJLUTSLNSA-N 2 3 267.373 0.141 20 0 CCADHP C(O[C@@H]1CC[NH2+]C1)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000629590194 369730558 /nfs/dbraw/zinc/73/05/58/369730558.db2.gz OUCXNNAQAKTEST-LSDHHAIUSA-N 2 3 267.417 0.686 20 0 CCADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000570942389 390725797 /nfs/dbraw/zinc/72/57/97/390725797.db2.gz QIZTUYCRIWBPOK-UONOGXRCSA-N 2 3 268.449 0.872 20 0 CCADHP CN1CCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000357346233 289114128 /nfs/dbraw/zinc/11/41/28/289114128.db2.gz MCWGOVSGZLDZHP-HNNXBMFYSA-N 2 3 298.475 0.813 20 0 CCADHP C([C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505619 613228105 /nfs/dbraw/zinc/22/81/05/613228105.db2.gz FGWBSWIKQDVOCG-BMFZPTHFSA-N 2 3 278.444 0.639 20 0 CCADHP C([C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505619 613228106 /nfs/dbraw/zinc/22/81/06/613228106.db2.gz FGWBSWIKQDVOCG-BMFZPTHFSA-N 2 3 278.444 0.639 20 0 CCADHP C([C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505619 613228109 /nfs/dbraw/zinc/22/81/09/613228109.db2.gz FGWBSWIKQDVOCG-BMFZPTHFSA-N 2 3 278.444 0.639 20 0 CCADHP C[N@@H+]1CCCN(CCCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925607168 616185917 /nfs/dbraw/zinc/18/59/17/616185917.db2.gz ADQQYUFFOLWEAB-SMLCLMEVSA-N 2 3 292.471 0.600 20 0 CCADHP C[N@H+]1CCCN(CCCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925607168 616185918 /nfs/dbraw/zinc/18/59/18/616185918.db2.gz ADQQYUFFOLWEAB-SMLCLMEVSA-N 2 3 292.471 0.600 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920316 634686417 /nfs/dbraw/zinc/68/64/17/634686417.db2.gz SQNMGZSZXDPDMR-HIFRSBDPSA-N 2 3 291.443 0.578 20 0 CCADHP Cc1c(C[C@H](C[NH3+])CN[C@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920316 634686420 /nfs/dbraw/zinc/68/64/20/634686420.db2.gz SQNMGZSZXDPDMR-HIFRSBDPSA-N 2 3 291.443 0.578 20 0 CCADHP Cc1c(C[C@@H](CN)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cnn1C ZINC000903977937 634700316 /nfs/dbraw/zinc/70/03/16/634700316.db2.gz FGKWEODOZWSIJX-VHDGCEQUSA-N 2 3 293.459 0.763 20 0 CCADHP Cc1c(C[C@@H](CN)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cnn1C ZINC000903977937 634700318 /nfs/dbraw/zinc/70/03/18/634700318.db2.gz FGKWEODOZWSIJX-VHDGCEQUSA-N 2 3 293.459 0.763 20 0 CCADHP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C[NH3+] ZINC000904409617 634743422 /nfs/dbraw/zinc/74/34/22/634743422.db2.gz DOEVJSYOQYMEOJ-MGPQQGTHSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C[NH3+] ZINC000904409617 634743428 /nfs/dbraw/zinc/74/34/28/634743428.db2.gz DOEVJSYOQYMEOJ-MGPQQGTHSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@H]1C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923497260 640168819 /nfs/dbraw/zinc/16/88/19/640168819.db2.gz DLFXTZXBVGTCTM-ORQFMDKSSA-N 2 3 291.439 0.834 20 0 CCADHP C[C@H]1C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923497260 640168827 /nfs/dbraw/zinc/16/88/27/640168827.db2.gz DLFXTZXBVGTCTM-ORQFMDKSSA-N 2 3 291.439 0.834 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082791 801568431 /nfs/dbraw/zinc/56/84/31/801568431.db2.gz RNERUMZLKRSSED-AWEZNQCLSA-N 2 3 296.459 0.776 20 0 CCADHP C[NH2+]CC1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160456497 801944313 /nfs/dbraw/zinc/94/43/13/801944313.db2.gz KWNSETZSZQBUMH-CQSZACIVSA-N 2 3 294.443 0.319 20 0 CCADHP C[NH2+]CC1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160456497 801944318 /nfs/dbraw/zinc/94/43/18/801944318.db2.gz KWNSETZSZQBUMH-CQSZACIVSA-N 2 3 294.443 0.319 20 0 CCADHP CC[NH+]1CCC(N(C)C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160537158 801965827 /nfs/dbraw/zinc/96/58/27/801965827.db2.gz GYXXURRAEMTLPX-ZDUSSCGKSA-N 2 3 270.421 0.385 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058390 802079754 /nfs/dbraw/zinc/07/97/54/802079754.db2.gz TWFQLFBZDXXEPS-HZSPNIEDSA-N 2 3 294.443 0.589 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058390 802079767 /nfs/dbraw/zinc/07/97/67/802079767.db2.gz TWFQLFBZDXXEPS-HZSPNIEDSA-N 2 3 294.443 0.589 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CC2(CC2)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447439 802155716 /nfs/dbraw/zinc/15/57/16/802155716.db2.gz XMUSTVKHPMURBD-KBPBESRZSA-N 2 3 294.443 0.271 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703121 804409697 /nfs/dbraw/zinc/40/96/97/804409697.db2.gz BEPCKIXKXKMCOZ-HNNXBMFYSA-N 2 3 290.411 0.405 20 0 CCADHP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219952053 804456044 /nfs/dbraw/zinc/45/60/44/804456044.db2.gz MTKYEKMMRGEYGJ-AWEZNQCLSA-N 2 3 294.443 0.224 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394897 804594534 /nfs/dbraw/zinc/59/45/34/804594534.db2.gz PRKCXVMIIXBUSD-AWEZNQCLSA-N 2 3 296.459 0.648 20 0 CCADHP [NH3+][C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccccc1 ZINC001220500352 804617127 /nfs/dbraw/zinc/61/71/27/804617127.db2.gz IUIDRWROXNLNKE-IJEWVQPXSA-N 2 3 288.395 0.002 20 0 CCADHP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220884834 804689971 /nfs/dbraw/zinc/68/99/71/804689971.db2.gz OQIVJYWFEIQNGO-KGLIPLIRSA-N 2 3 294.443 0.319 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254626 804758701 /nfs/dbraw/zinc/75/87/01/804758701.db2.gz RMMKIIMQTWXYSQ-STQMWFEESA-N 2 3 270.421 0.114 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254626 804758705 /nfs/dbraw/zinc/75/87/05/804758705.db2.gz RMMKIIMQTWXYSQ-STQMWFEESA-N 2 3 270.421 0.114 20 0 CCADHP C[C@]1([NH3+])CCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246023012 807122075 /nfs/dbraw/zinc/12/20/75/807122075.db2.gz RPIVWZZLLCYRMA-KBPBESRZSA-N 2 3 285.432 0.055 20 0 CCADHP O[C@@]1(C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNC[C@@H]1F ZINC001246078315 807144062 /nfs/dbraw/zinc/14/40/62/807144062.db2.gz AGBHWODGVDFXRS-BHDPWAOGSA-N 2 3 299.434 0.951 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246128422 807161527 /nfs/dbraw/zinc/16/15/27/807161527.db2.gz TWEARAXDKSJWSM-RDBSUJKOSA-N 2 3 267.417 0.875 20 0 CCADHP CC[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246142245 807164834 /nfs/dbraw/zinc/16/48/34/807164834.db2.gz IINYBCQURQTIPM-KFWWJZLASA-N 2 3 280.460 0.981 20 0 CCADHP C1C[NH2+]C[C@H](N[C@@H]2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001246255649 807198828 /nfs/dbraw/zinc/19/88/28/807198828.db2.gz LKDBALHBFZQXFM-CHWSQXEVSA-N 2 3 253.390 0.629 20 0 CCADHP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@H]([NH3+])CC3)C[C@H](C1)N2 ZINC001246540123 807276525 /nfs/dbraw/zinc/27/65/25/807276525.db2.gz FSVIXKXZMFLFGN-QFSHSQKFSA-N 2 3 295.427 0.872 20 0 CCADHP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@H]([NH3+])CC3)C[C@H](C1)N2 ZINC001246540123 807276531 /nfs/dbraw/zinc/27/65/31/807276531.db2.gz FSVIXKXZMFLFGN-QFSHSQKFSA-N 2 3 295.427 0.872 20 0 CCADHP C[NH2+]C[C@H]1CCCN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246547946 807282632 /nfs/dbraw/zinc/28/26/32/807282632.db2.gz HBSOAXFNVTVGSC-OLZOCXBDSA-N 2 3 252.406 0.012 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246130090 839635981 /nfs/dbraw/zinc/63/59/81/839635981.db2.gz YDRHNBTUPJBFFL-MCIONIFRSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CCN1 ZINC001246154298 839650151 /nfs/dbraw/zinc/65/01/51/839650151.db2.gz ZYSJNIRWNLPFKO-BJJPWKGXSA-N 2 3 253.390 0.484 20 0 CCADHP [NH3+]C[C@@]1(O)CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246545219 839960615 /nfs/dbraw/zinc/96/06/15/839960615.db2.gz UXHXGZUKLUSVLS-XJFOESAGSA-N 2 3 253.390 0.445 20 0 CCADHP C[NH2+]CCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001118131535 856170900 /nfs/dbraw/zinc/17/09/00/856170900.db2.gz XYWDIADBUOOFTC-UHFFFAOYSA-N 2 3 296.459 0.661 20 0 CCADHP [NH3+][C@H]1C[C@@H](CN2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC001120263942 857023431 /nfs/dbraw/zinc/02/34/31/857023431.db2.gz XADOJPRYXHADAB-GASCZTMLSA-N 2 3 266.433 0.437 20 0 CCADHP C[C@H](NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422967625 299272712 /nfs/dbraw/zinc/27/27/12/299272712.db2.gz UJHJEMJNFJFLCP-ZFWWWQNUSA-N 2 3 268.449 0.743 20 0 CCADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006455 372340542 /nfs/dbraw/zinc/34/05/42/372340542.db2.gz RGUOIAYRFYCQMB-QSLWVIQJSA-N 2 3 255.406 0.846 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708744 397746310 /nfs/dbraw/zinc/74/63/10/397746310.db2.gz KQYJCKVAHGEONH-MJBXVCDLSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708744 397746314 /nfs/dbraw/zinc/74/63/14/397746314.db2.gz KQYJCKVAHGEONH-MJBXVCDLSA-N 2 3 267.417 0.944 20 0 CCADHP COC[C@]1(CNC[C@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000414943151 293292767 /nfs/dbraw/zinc/29/27/67/293292767.db2.gz CQEGGGOFBQSMHC-MELADBBJSA-N 2 3 255.406 0.733 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923365814 613224186 /nfs/dbraw/zinc/22/41/86/613224186.db2.gz ZJHXYZBRCCPTGI-KKUMJFAQSA-N 2 3 279.428 0.829 20 0 CCADHP C(CCN[C@@H]1CC[NH2+]C12CCC2)CCN1CC[NH2+]CC1 ZINC000925844134 613224721 /nfs/dbraw/zinc/22/47/21/613224721.db2.gz WGIGUQKQMPXHIV-OAHLLOKOSA-N 2 3 280.460 0.936 20 0 CCADHP C1[NH2+]C[C@H]2CC[C@@H](N[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C[C@@H]12 ZINC000925708557 613235145 /nfs/dbraw/zinc/23/51/45/613235145.db2.gz RLQHZQGXNPZQIV-YRDUFCKGSA-N 2 3 261.413 0.961 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000903474000 634573615 /nfs/dbraw/zinc/57/36/15/634573615.db2.gz DMYOYKMOYRANFU-VNQPRFMTSA-N 2 3 281.444 0.932 20 0 CCADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713519 634633557 /nfs/dbraw/zinc/63/35/57/634633557.db2.gz UHTYSLIBZIENRG-UONOGXRCSA-N 2 3 282.432 0.163 20 0 CCADHP C[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000903757751 634646785 /nfs/dbraw/zinc/64/67/85/634646785.db2.gz GSKUOMQGFXTZBM-QPSCCSFWSA-N 2 3 267.417 0.672 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903978240 634699798 /nfs/dbraw/zinc/69/97/98/634699798.db2.gz BMFPWZNKQQUVIP-HZSPNIEDSA-N 2 3 282.432 0.019 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cnn1C ZINC000903978470 634700070 /nfs/dbraw/zinc/70/00/70/634700070.db2.gz GLBQUQCSUDYYLO-VHDGCEQUSA-N 2 3 293.459 0.681 20 0 CCADHP [NH3+]C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000904383575 634740133 /nfs/dbraw/zinc/74/01/33/634740133.db2.gz CCLYUYDDRSFJJG-DOLQZWNJSA-N 2 3 251.296 0.793 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001160443259 801941306 /nfs/dbraw/zinc/94/13/06/801941306.db2.gz GBGXRXNLRXBNIQ-CYBMUJFWSA-N 2 3 274.368 0.154 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001160443500 801941830 /nfs/dbraw/zinc/94/18/30/801941830.db2.gz LTRZNVCOMYCNOW-CZUORRHYSA-N 2 3 288.395 0.544 20 0 CCADHP CCN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCC[NH2+]C1 ZINC001161333968 802131531 /nfs/dbraw/zinc/13/15/31/802131531.db2.gz YSQNTNVOZRFIBI-KBPBESRZSA-N 2 3 294.443 0.461 20 0 CCADHP CCN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161333968 802131536 /nfs/dbraw/zinc/13/15/36/802131536.db2.gz YSQNTNVOZRFIBI-KBPBESRZSA-N 2 3 294.443 0.461 20 0 CCADHP C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)[C@@H]1CC[NH3+] ZINC000404302925 803850088 /nfs/dbraw/zinc/85/00/88/803850088.db2.gz QKDVFGNWKSTEAR-QLFBSQMISA-N 2 3 269.433 0.892 20 0 CCADHP C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)[C@@H]1CC[NH3+] ZINC000404302925 803850096 /nfs/dbraw/zinc/85/00/96/803850096.db2.gz QKDVFGNWKSTEAR-QLFBSQMISA-N 2 3 269.433 0.892 20 0 CCADHP CC[NH+](CC)CCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219555930 804347798 /nfs/dbraw/zinc/34/77/98/804347798.db2.gz ZGSTWZSMYMSFRV-ZDUSSCGKSA-N 2 3 272.437 0.504 20 0 CCADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CCC[NH3+] ZINC001220062027 804491291 /nfs/dbraw/zinc/49/12/91/804491291.db2.gz JROQADDFYRZEJY-QWHCGFSZSA-N 2 3 270.421 0.433 20 0 CCADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CCC[NH3+] ZINC001220062027 804491294 /nfs/dbraw/zinc/49/12/94/804491294.db2.gz JROQADDFYRZEJY-QWHCGFSZSA-N 2 3 270.421 0.433 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972544 804711722 /nfs/dbraw/zinc/71/17/22/804711722.db2.gz HNVZUCAOCIWUHI-ZDUSSCGKSA-N 2 3 282.432 0.563 20 0 CCADHP C1CC([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246136213 807162278 /nfs/dbraw/zinc/16/22/78/807162278.db2.gz CZLJIZAFHNXUQJ-UHFFFAOYSA-N 2 3 266.433 0.544 20 0 CCADHP C[NH2+]CC[C@H](C)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138210 807163869 /nfs/dbraw/zinc/16/38/69/807163869.db2.gz AYBUNGJUVCDHRL-STQMWFEESA-N 2 3 254.422 0.448 20 0 CCADHP C[C@@H]1C[C@H](NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246146640 807167501 /nfs/dbraw/zinc/16/75/01/807167501.db2.gz HHVSTBZSVXRDHS-KSTCHIGDSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CCN1 ZINC001246146640 807167506 /nfs/dbraw/zinc/16/75/06/807167506.db2.gz HHVSTBZSVXRDHS-KSTCHIGDSA-N 2 3 253.390 0.341 20 0 CCADHP CC1(C)C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246147023 807167681 /nfs/dbraw/zinc/16/76/81/807167681.db2.gz PECOZGDFTSOCMG-ZIAGYGMSSA-N 2 3 280.460 0.981 20 0 CCADHP C[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246150421 807168684 /nfs/dbraw/zinc/16/86/84/807168684.db2.gz VZDYTHWGHUQNBV-AGIUHOORSA-N 2 3 252.406 0.201 20 0 CCADHP C[C@@H]1C[C@@H](N[C@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246181724 807178838 /nfs/dbraw/zinc/17/88/38/807178838.db2.gz ROWPJPHLEZUXEA-FRRDWIJNSA-N 2 3 253.390 0.628 20 0 CCADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246337894 807226657 /nfs/dbraw/zinc/22/66/57/807226657.db2.gz XHFQDBNAYYWPIZ-MELADBBJSA-N 2 3 266.433 0.543 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246375323 807237214 /nfs/dbraw/zinc/23/72/14/807237214.db2.gz OPAMPMCCEQRJAM-BPLDGKMQSA-N 2 3 266.433 0.543 20 0 CCADHP C[C@@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C[NH2+]1 ZINC001246477356 807260488 /nfs/dbraw/zinc/26/04/88/807260488.db2.gz HXRACKABWOLHBZ-ZIAGYGMSSA-N 2 3 254.422 0.483 20 0 CCADHP [NH3+]C[C@@H]1CN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1(F)F ZINC001246562543 807290972 /nfs/dbraw/zinc/29/09/72/807290972.db2.gz UDLZRJVETWPYFZ-WRWGMCAJSA-N 2 3 259.344 0.900 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C2CNC2)CC1 ZINC001261661644 809048669 /nfs/dbraw/zinc/04/86/69/809048669.db2.gz XLCOSJWTAVYJMS-LBPRGKRZSA-N 2 3 282.432 0.175 20 0 CCADHP CC[NH+](CC)C1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160482152 839941866 /nfs/dbraw/zinc/94/18/66/839941866.db2.gz ACOFOFRSSWCWPX-AWEZNQCLSA-N 2 3 284.448 0.776 20 0 CCADHP NC[C@H]1CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588694 840132639 /nfs/dbraw/zinc/13/26/39/840132639.db2.gz CCQXFXJLMIHYQS-CHWSQXEVSA-N 2 3 253.390 0.568 20 0 CCADHP NC[C@H]1CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588694 840132644 /nfs/dbraw/zinc/13/26/44/840132644.db2.gz CCQXFXJLMIHYQS-CHWSQXEVSA-N 2 3 253.390 0.568 20 0 CCADHP CN(CC[NH3+])CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119227 841851733 /nfs/dbraw/zinc/85/17/33/841851733.db2.gz WICLVOMUEHDEHX-ZSOGYDGISA-N 2 3 254.422 0.482 20 0 CCADHP CN(CC[NH3+])CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119227 841851741 /nfs/dbraw/zinc/85/17/41/841851741.db2.gz WICLVOMUEHDEHX-ZSOGYDGISA-N 2 3 254.422 0.482 20 0 CCADHP NC[C@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1O ZINC001206512064 843818768 /nfs/dbraw/zinc/81/87/68/843818768.db2.gz IMZSBDTWOLYEQA-STQMWFEESA-N 2 3 253.390 0.018 20 0 CCADHP NC[C@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1O ZINC001206512064 843818781 /nfs/dbraw/zinc/81/87/81/843818781.db2.gz IMZSBDTWOLYEQA-STQMWFEESA-N 2 3 253.390 0.018 20 0 CCADHP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001332421485 904113180 /nfs/dbraw/zinc/11/31/80/904113180.db2.gz QQZWMEMPRAQMTP-SRVKXCTJSA-N 2 3 269.389 0.387 20 0 CCADHP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000563137818 291197708 /nfs/dbraw/zinc/19/77/08/291197708.db2.gz YNLHNZOCFDEDKY-ZIAGYGMSSA-N 2 3 284.448 0.489 20 0 CCADHP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000563137818 291197710 /nfs/dbraw/zinc/19/77/10/291197710.db2.gz YNLHNZOCFDEDKY-ZIAGYGMSSA-N 2 3 284.448 0.489 20 0 CCADHP C[NH2+]CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000566226177 291379076 /nfs/dbraw/zinc/37/90/76/291379076.db2.gz JFNZTEXCQIBTEE-AWEZNQCLSA-N 2 3 282.432 0.115 20 0 CCADHP C(O[C@@H]1CC[NH2+]C1)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000629590193 369731368 /nfs/dbraw/zinc/73/13/68/369731368.db2.gz OUCXNNAQAKTEST-HUUCEWRRSA-N 2 3 267.417 0.686 20 0 CCADHP C(O[C@H]1CC[NH2+]C1)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000629590192 369731377 /nfs/dbraw/zinc/73/13/77/369731377.db2.gz OUCXNNAQAKTEST-GJZGRUSLSA-N 2 3 267.417 0.686 20 0 CCADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000634733501 372178580 /nfs/dbraw/zinc/17/85/80/372178580.db2.gz HAXOIVDMCFZMHE-KGLIPLIRSA-N 2 3 296.459 0.552 20 0 CCADHP CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000634990993 372325853 /nfs/dbraw/zinc/32/58/53/372325853.db2.gz KUOWTHRUQGRCGT-STQMWFEESA-N 2 3 270.421 0.004 20 0 CCADHP CC(C)[C@@H](CN)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000634990993 372325856 /nfs/dbraw/zinc/32/58/56/372325856.db2.gz KUOWTHRUQGRCGT-STQMWFEESA-N 2 3 270.421 0.004 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423211529 389553496 /nfs/dbraw/zinc/55/34/96/389553496.db2.gz YPFUAGUJKVUJCQ-XHSDSOJGSA-N 2 3 280.460 0.792 20 0 CCADHP C[N@@H+]1CCC[C@H](N2CCN(CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000649414818 397608639 /nfs/dbraw/zinc/60/86/39/397608639.db2.gz ZOBJVLLBDXXCLV-CVEARBPZSA-N 2 3 280.460 0.698 20 0 CCADHP C[N@H+]1CCC[C@H](N2CCN(CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000649414818 397608640 /nfs/dbraw/zinc/60/86/40/397608640.db2.gz ZOBJVLLBDXXCLV-CVEARBPZSA-N 2 3 280.460 0.698 20 0 CCADHP COCC1(CN[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]CC1 ZINC000423411785 292250163 /nfs/dbraw/zinc/25/01/63/292250163.db2.gz VFUTUMPUXCUBQL-OLZOCXBDSA-N 2 3 255.406 0.590 20 0 CCADHP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422739713 289152702 /nfs/dbraw/zinc/15/27/02/289152702.db2.gz LOYKARXOTLGTGD-JKSUJKDBSA-N 2 3 282.476 0.977 20 0 CCADHP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000575867961 335126435 /nfs/dbraw/zinc/12/64/35/335126435.db2.gz IWWKEBOZPZWSPZ-STQMWFEESA-N 2 3 282.432 0.243 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000576166094 335163631 /nfs/dbraw/zinc/16/36/31/335163631.db2.gz DHQFLCIRUCJHDJ-KKUMJFAQSA-N 2 3 285.432 0.175 20 0 CCADHP C[C@H](CCN1C[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249375 545338876 /nfs/dbraw/zinc/33/88/76/545338876.db2.gz DHUMWRWKJCISMR-CWVYHPPDSA-N 2 3 278.444 0.067 20 0 CCADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788127 613234042 /nfs/dbraw/zinc/23/40/42/613234042.db2.gz CJWKESCCUKNPOB-XGUBFFRZSA-N 2 3 265.401 0.296 20 0 CCADHP CCC1([NH3+])CCN([C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000925761093 614704882 /nfs/dbraw/zinc/70/48/82/614704882.db2.gz ULGBGAINNCPPCP-COVPZLACSA-N 2 3 267.417 0.942 20 0 CCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030570 615131537 /nfs/dbraw/zinc/13/15/37/615131537.db2.gz OZCVKXPYAKAGHV-QWHCGFSZSA-N 2 3 269.437 0.782 20 0 CCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030457 615131720 /nfs/dbraw/zinc/13/17/20/615131720.db2.gz OZCVKXPYAKAGHV-CHWSQXEVSA-N 2 3 269.437 0.782 20 0 CCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC000900683949 615880882 /nfs/dbraw/zinc/88/08/82/615880882.db2.gz UPZPQDKHEHQBRC-UHFFFAOYSA-N 2 3 295.431 0.684 20 0 CCADHP COC[C@H](CCC[NH3+])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838871 616640717 /nfs/dbraw/zinc/64/07/17/616640717.db2.gz DJBFSCGGFREHKR-BFHYXJOUSA-N 2 3 255.406 0.862 20 0 CCADHP C[NH2+]CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508263 616943868 /nfs/dbraw/zinc/94/38/68/616943868.db2.gz AFLGRCOBGJOHPK-GASCZTMLSA-N 2 3 266.433 0.497 20 0 CCADHP C[NH2+]CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508263 616943870 /nfs/dbraw/zinc/94/38/70/616943870.db2.gz AFLGRCOBGJOHPK-GASCZTMLSA-N 2 3 266.433 0.497 20 0 CCADHP [NH3+]C[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713126 634632472 /nfs/dbraw/zinc/63/24/72/634632472.db2.gz FTUWOOAFMQGOFE-MJBXVCDLSA-N 2 3 253.390 0.426 20 0 CCADHP O[C@@H](CN1CCC2(CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000903749375 634636687 /nfs/dbraw/zinc/63/66/87/634636687.db2.gz JTUZUIGWDWGDRK-CQSZACIVSA-N 2 3 267.417 0.519 20 0 CCADHP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903762850 634641893 /nfs/dbraw/zinc/64/18/93/634641893.db2.gz FKSRLJDGGPRSHB-FZKCQIBNSA-N 2 3 279.428 0.816 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920319 634687175 /nfs/dbraw/zinc/68/71/75/634687175.db2.gz SQNMGZSZXDPDMR-UKRRQHHQSA-N 2 3 291.443 0.578 20 0 CCADHP Cc1c(C[C@H](C[NH3+])CN[C@@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920319 634687177 /nfs/dbraw/zinc/68/71/77/634687177.db2.gz SQNMGZSZXDPDMR-UKRRQHHQSA-N 2 3 291.443 0.578 20 0 CCADHP C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851369 631399617 /nfs/dbraw/zinc/39/96/17/631399617.db2.gz YETRAWSTZDBIIX-RWMBFGLXSA-N 2 3 281.400 0.402 20 0 CCADHP C[C@@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000925811912 648463438 /nfs/dbraw/zinc/46/34/38/648463438.db2.gz UKQMDSYJEZQWBN-TZMCWYRMSA-N 2 3 254.422 0.482 20 0 CCADHP C[C@@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1C ZINC000925811912 648463439 /nfs/dbraw/zinc/46/34/39/648463439.db2.gz UKQMDSYJEZQWBN-TZMCWYRMSA-N 2 3 254.422 0.482 20 0 CCADHP [NH3+]C1CCN(CCN[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925816328 648464255 /nfs/dbraw/zinc/46/42/55/648464255.db2.gz DXSQIODNSDMNHL-KBPBESRZSA-N 2 3 254.422 0.659 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246156440 807171048 /nfs/dbraw/zinc/17/10/48/807171048.db2.gz LSZVIFQHZVRZNG-APIJFGDWSA-N 2 3 267.417 0.875 20 0 CCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161049857 802076640 /nfs/dbraw/zinc/07/66/40/802076640.db2.gz IBIZWGYUHCWRBW-GJZGRUSLSA-N 2 3 298.475 0.987 20 0 CCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161049857 802076643 /nfs/dbraw/zinc/07/66/43/802076643.db2.gz IBIZWGYUHCWRBW-GJZGRUSLSA-N 2 3 298.475 0.987 20 0 CCADHP CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161331198 802128704 /nfs/dbraw/zinc/12/87/04/802128704.db2.gz UBEWCMRWEUANTG-KBPBESRZSA-N 2 3 284.448 0.646 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152032 804515836 /nfs/dbraw/zinc/51/58/36/804515836.db2.gz QTQKYMQEPPNXDJ-XQQFMLRXSA-N 2 3 270.421 0.336 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857522 804683036 /nfs/dbraw/zinc/68/30/36/804683036.db2.gz GRZVDPSYOWTZRR-RYUDHWBXSA-N 2 3 272.437 0.535 20 0 CCADHP CC1(C[N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC[NH2+]CC1 ZINC001222492187 804906778 /nfs/dbraw/zinc/90/67/78/804906778.db2.gz QAXGPXHNIGQCHI-KBPBESRZSA-N 2 3 266.433 0.402 20 0 CCADHP CC1(C[N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC[NH2+]CC1 ZINC001222492187 804906782 /nfs/dbraw/zinc/90/67/82/804906782.db2.gz QAXGPXHNIGQCHI-KBPBESRZSA-N 2 3 266.433 0.402 20 0 CCADHP CC[NH+](CC)C[C@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245986916 807107934 /nfs/dbraw/zinc/10/79/34/807107934.db2.gz QWXMVBMMVUVTNT-HUUCEWRRSA-N 2 3 298.475 0.153 20 0 CCADHP C[C@H]1C[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246140638 807163832 /nfs/dbraw/zinc/16/38/32/807163832.db2.gz OOXZGPLWEYVDOF-DZGCQCFKSA-N 2 3 280.460 0.933 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246142371 807165114 /nfs/dbraw/zinc/16/51/14/807165114.db2.gz IKDIDKIAKKGZAY-PEUVFPKISA-N 2 3 278.444 0.733 20 0 CCADHP CC1(C)CNCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246369391 807236504 /nfs/dbraw/zinc/23/65/04/807236504.db2.gz DSQXZHNHUUJVJY-NWDGAFQWSA-N 2 3 252.406 0.058 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246420240 807249918 /nfs/dbraw/zinc/24/99/18/807249918.db2.gz YNCKXFHHPLWUNG-OWYJLGKBSA-N 2 3 282.432 0.481 20 0 CCADHP C[C@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C[NH2+]1 ZINC001246477355 807260443 /nfs/dbraw/zinc/26/04/43/807260443.db2.gz HXRACKABWOLHBZ-UONOGXRCSA-N 2 3 254.422 0.483 20 0 CCADHP C[C@@H]1C[N@@H+]([C@@H]2CCOC3(CNC3)C2)CCC[C@@H]1C[NH3+] ZINC001246569100 807294927 /nfs/dbraw/zinc/29/49/27/807294927.db2.gz PXNDCAGZBCZSTL-MGPQQGTHSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1C[N@H+]([C@@H]2CCOC3(CNC3)C2)CCC[C@@H]1C[NH3+] ZINC001246569100 807294932 /nfs/dbraw/zinc/29/49/32/807294932.db2.gz PXNDCAGZBCZSTL-MGPQQGTHSA-N 2 3 267.417 0.814 20 0 CCADHP [NH3+]C[C@H]1CN(C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1O ZINC001246584030 807305861 /nfs/dbraw/zinc/30/58/61/807305861.db2.gz KYXDLANVKVOGHY-SWLSCSKDSA-N 2 3 276.384 0.302 20 0 CCADHP C1CC2(C[C@@H]1N1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CC[NH2+]CC2 ZINC001246621137 807328624 /nfs/dbraw/zinc/32/86/24/807328624.db2.gz DTJPVUMJPFZYOY-RBSFLKMASA-N 2 3 279.428 0.829 20 0 CCADHP C1C[C@]2(C[NH2+]1)CN(C1CCC3(CC[NH2+]CC3)CC1)CCN2 ZINC001246640745 807340789 /nfs/dbraw/zinc/34/07/89/807340789.db2.gz HECNWQIEHMTSIC-KRWDZBQOSA-N 2 3 292.471 0.936 20 0 CCADHP CCOCC[N@H+](C1CCNCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246950409 807439497 /nfs/dbraw/zinc/43/94/97/807439497.db2.gz PJIFNWDWXWQZKN-HNNXBMFYSA-N 2 3 296.459 0.171 20 0 CCADHP CCOCC[N@@H+](C1CCNCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246950409 807439501 /nfs/dbraw/zinc/43/95/01/807439501.db2.gz PJIFNWDWXWQZKN-HNNXBMFYSA-N 2 3 296.459 0.171 20 0 CCADHP CCOC(=O)[C@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010521 807452559 /nfs/dbraw/zinc/45/25/59/807452559.db2.gz WICWRJYPNWHZBC-HZSPNIEDSA-N 2 3 295.427 0.602 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC001161444711 811602447 /nfs/dbraw/zinc/60/24/47/811602447.db2.gz KNDGNESVMVQOLL-KFWWJZLASA-N 2 3 296.459 0.646 20 0 CCADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157844929 837493302 /nfs/dbraw/zinc/49/33/02/837493302.db2.gz YSSHYUDYOYGWGP-RDBSUJKOSA-N 2 3 284.448 0.631 20 0 CCADHP CC[NH+]1CCC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246147501 839644574 /nfs/dbraw/zinc/64/45/74/839644574.db2.gz PWCWLCBCWQNVBF-HNNXBMFYSA-N 2 3 280.460 0.935 20 0 CCADHP C1C[C@]2(C[NH2+]1)CN([C@@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246642523 840223509 /nfs/dbraw/zinc/22/35/09/840223509.db2.gz MBYGCHMLILTUQA-ZBFHGGJFSA-N 2 3 278.444 0.546 20 0 CCADHP C1[NH2+]CC12CCC(N1CCN[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246645411 840226870 /nfs/dbraw/zinc/22/68/70/840226870.db2.gz UYFCQYSQDKIRAZ-HNNXBMFYSA-N 2 3 264.417 0.156 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629541624 369697416 /nfs/dbraw/zinc/69/74/16/369697416.db2.gz XVCVQOPNKCDSNZ-MGPQQGTHSA-N 2 3 255.406 0.862 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629541623 369697942 /nfs/dbraw/zinc/69/79/42/369697942.db2.gz XVCVQOPNKCDSNZ-MCIONIFRSA-N 2 3 255.406 0.862 20 0 CCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641413706 377089026 /nfs/dbraw/zinc/08/90/26/377089026.db2.gz NCACAVCFNDOXQB-UONOGXRCSA-N 2 3 299.463 0.391 20 0 CCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641413706 377089032 /nfs/dbraw/zinc/08/90/32/377089032.db2.gz NCACAVCFNDOXQB-UONOGXRCSA-N 2 3 299.463 0.391 20 0 CCADHP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574809577 335049029 /nfs/dbraw/zinc/04/90/29/335049029.db2.gz USSXBEBNFFXCNV-CHWSQXEVSA-N 2 3 287.452 0.247 20 0 CCADHP C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000572243819 291866265 /nfs/dbraw/zinc/86/62/65/291866265.db2.gz SAPHTFXKCIGWIJ-HUUCEWRRSA-N 2 3 266.433 0.356 20 0 CCADHP [NH3+][C@H]1CCCCC[C@H]1NCCCN1CC[NH2+]CC1 ZINC000331922938 389316198 /nfs/dbraw/zinc/31/61/98/389316198.db2.gz CIFZCXJXFLZFKQ-UONOGXRCSA-N 2 3 254.422 0.531 20 0 CCADHP CN1CCN(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788613 390172054 /nfs/dbraw/zinc/17/20/54/390172054.db2.gz NCRFOGZZSTVFGR-GVDBMIGSSA-N 2 3 294.487 0.992 20 0 CCADHP COC[C@]1(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC[NH2+]1 ZINC000647547003 390838927 /nfs/dbraw/zinc/83/89/27/390838927.db2.gz KCZIJWNKSAPRAX-LXTVHRRPSA-N 2 3 267.417 0.733 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000647553110 390841260 /nfs/dbraw/zinc/84/12/60/390841260.db2.gz BDTZHBRFCPDZRW-OAHLLOKOSA-N 2 3 290.411 0.432 20 0 CCADHP CC(C)(N)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707241 397746823 /nfs/dbraw/zinc/74/68/23/397746823.db2.gz BNZQZCHFNABLLM-YNEHKIRRSA-N 2 3 255.406 0.942 20 0 CCADHP CC(C)(N)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707241 397746828 /nfs/dbraw/zinc/74/68/28/397746828.db2.gz BNZQZCHFNABLLM-YNEHKIRRSA-N 2 3 255.406 0.942 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000578453137 335636818 /nfs/dbraw/zinc/63/68/18/335636818.db2.gz HLFPWBYGGUYTME-KQTLUZQSSA-N 2 3 294.443 0.493 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693202 613223805 /nfs/dbraw/zinc/22/38/05/613223805.db2.gz PQIMDBBCNLTXRD-HZPDHXFCSA-N 2 3 280.460 0.650 20 0 CCADHP C1[NH2+]C[C@H]2CC[C@@H](N[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C[C@@H]12 ZINC000925708556 613231170 /nfs/dbraw/zinc/23/11/70/613231170.db2.gz RLQHZQGXNPZQIV-WTQKXNQTSA-N 2 3 261.413 0.961 20 0 CCADHP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCCN1 ZINC000925815891 615535639 /nfs/dbraw/zinc/53/56/39/615535639.db2.gz BPUXYPFWWMKMRB-HUUCEWRRSA-N 2 3 268.449 0.920 20 0 CCADHP C[NH+](C)CCN1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607310 615897396 /nfs/dbraw/zinc/89/73/96/615897396.db2.gz UWDVLVWWQFSYAI-HNNXBMFYSA-N 2 3 280.460 0.887 20 0 CCADHP CN(C)CC[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607310 615897398 /nfs/dbraw/zinc/89/73/98/615897398.db2.gz UWDVLVWWQFSYAI-HNNXBMFYSA-N 2 3 280.460 0.887 20 0 CCADHP CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000903717444 616148222 /nfs/dbraw/zinc/14/82/22/616148222.db2.gz QKFFBGACAPSKJT-JSGCOSHPSA-N 2 3 255.406 0.672 20 0 CCADHP COCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]CC1 ZINC000925701295 616774951 /nfs/dbraw/zinc/77/49/51/616774951.db2.gz XDWYTGDYJVUGAR-CHWSQXEVSA-N 2 3 255.406 0.733 20 0 CCADHP [NH3+]C[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903713550 634633955 /nfs/dbraw/zinc/63/39/55/634633955.db2.gz VLRFRFDBEXZCFC-KBPBESRZSA-N 2 3 267.417 0.816 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817985 631308667 /nfs/dbraw/zinc/30/86/67/631308667.db2.gz YRDUEZUIIGDLJP-OCCSQVGLSA-N 2 3 254.422 0.387 20 0 CCADHP C(C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)[C@@H]1CNCCO1 ZINC001236314229 806566185 /nfs/dbraw/zinc/56/61/85/806566185.db2.gz LYPICQSUQIUUFI-HZSPNIEDSA-N 2 3 253.390 0.296 20 0 CCADHP C(C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)[C@@H]1CNCCO1 ZINC001236314229 806566192 /nfs/dbraw/zinc/56/61/92/806566192.db2.gz LYPICQSUQIUUFI-HZSPNIEDSA-N 2 3 253.390 0.296 20 0 CCADHP [NH3+]CCC[NH2+]CC(=O)N1CCNC[C@H]1c1ccccc1 ZINC001157971404 801544300 /nfs/dbraw/zinc/54/43/00/801544300.db2.gz XNRAZCXDZYWEQQ-AWEZNQCLSA-N 2 3 276.384 0.098 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160698724 802005652 /nfs/dbraw/zinc/00/56/52/802005652.db2.gz QBRJJYXJQHWYSD-GJZGRUSLSA-N 2 3 298.475 0.940 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001161081063 802084705 /nfs/dbraw/zinc/08/47/05/802084705.db2.gz CZIOAMLBBWFIFA-MELADBBJSA-N 2 3 282.432 0.256 20 0 CCADHP C[NH+](C)CCN(C(=O)[C@@H](N)CC(F)F)[C@H]1CCC[NH2+]C1 ZINC001161449991 802155181 /nfs/dbraw/zinc/15/51/81/802155181.db2.gz XGYJUTGCSYXQIJ-QWRGUYRKSA-N 2 3 292.374 0.111 20 0 CCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219640849 804386672 /nfs/dbraw/zinc/38/66/72/804386672.db2.gz CJWIGIGTUCEGFM-IHRRRGAJSA-N 2 3 294.443 0.222 20 0 CCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219640849 804386682 /nfs/dbraw/zinc/38/66/82/804386682.db2.gz CJWIGIGTUCEGFM-IHRRRGAJSA-N 2 3 294.443 0.222 20 0 CCADHP C[NH2+]CCCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220077684 804495864 /nfs/dbraw/zinc/49/58/64/804495864.db2.gz SYQXHOQYOIRBSY-LBPRGKRZSA-N 2 3 258.410 0.161 20 0 CCADHP CCCOC[C@@H](O)CNCCC[NH2+]CCCC[NH3+] ZINC001246010381 807114300 /nfs/dbraw/zinc/11/43/00/807114300.db2.gz MXEJWZDLIMHFEP-ZDUSSCGKSA-N 2 3 261.410 0.082 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246128420 807161035 /nfs/dbraw/zinc/16/10/35/807161035.db2.gz TWEARAXDKSJWSM-MCIONIFRSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@H]1CC[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1 ZINC001246136762 807162914 /nfs/dbraw/zinc/16/29/14/807162914.db2.gz DVTQLZAZMNRHCJ-ZFWWWQNUSA-N 2 3 280.460 0.933 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246144111 807166339 /nfs/dbraw/zinc/16/63/39/807166339.db2.gz BOOWOCIYHXWLHE-ZVDSWSACSA-N 2 3 279.428 0.733 20 0 CCADHP C1CC2(C[C@H]1[NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC[NH2+]CC2 ZINC001246149044 807167730 /nfs/dbraw/zinc/16/77/30/807167730.db2.gz QBWHMUGFFWDLIZ-LJISPDSOSA-N 2 3 279.428 0.733 20 0 CCADHP CN1CCC[C@H]1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246230323 807192758 /nfs/dbraw/zinc/19/27/58/807192758.db2.gz AIESVABIRZTBDB-STQMWFEESA-N 2 3 252.406 0.154 20 0 CCADHP C(C1CC1)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246382365 807239459 /nfs/dbraw/zinc/23/94/59/807239459.db2.gz WONXGPAMLNZKOP-CQSZACIVSA-N 2 3 278.444 0.592 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246418600 807248357 /nfs/dbraw/zinc/24/83/57/807248357.db2.gz RXVRTPNKRQAWLC-IPYPFGDCSA-N 2 3 282.432 0.481 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246420747 807249607 /nfs/dbraw/zinc/24/96/07/807249607.db2.gz ZZJCATRZAVXOAY-STQMWFEESA-N 2 3 282.432 0.481 20 0 CCADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246546323 807280248 /nfs/dbraw/zinc/28/02/48/807280248.db2.gz ZQFADWSQXJNYRQ-XJFOESAGSA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246546323 807280255 /nfs/dbraw/zinc/28/02/55/807280255.db2.gz ZQFADWSQXJNYRQ-XJFOESAGSA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246546323 807280262 /nfs/dbraw/zinc/28/02/62/807280262.db2.gz ZQFADWSQXJNYRQ-XJFOESAGSA-N 2 3 255.406 0.691 20 0 CCADHP C[NH+](C)C1CCC(N2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246647156 807343994 /nfs/dbraw/zinc/34/39/94/807343994.db2.gz ZMCFEGILXJUHDI-NRXISQOPSA-N 2 3 266.433 0.497 20 0 CCADHP [NH2+]=C(NCCCC[NH3+])Nc1ccnc(N2CCOCC2)c1 ZINC001167877729 812379021 /nfs/dbraw/zinc/37/90/21/812379021.db2.gz CCDQNWGCJMAFIJ-UHFFFAOYSA-N 2 3 292.387 0.593 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422756 838158091 /nfs/dbraw/zinc/15/80/91/838158091.db2.gz LJKSFQFIMYTIGU-IHRRRGAJSA-N 2 3 282.432 0.445 20 0 CCADHP C[C@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[NH2+]1 ZINC001246478419 839865486 /nfs/dbraw/zinc/86/54/86/839865486.db2.gz ONDJDYLUTLZACV-KBPBESRZSA-N 2 3 254.422 0.483 20 0 CCADHP NC[C@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246589066 840132562 /nfs/dbraw/zinc/13/25/62/840132562.db2.gz YONIVFBUCZMMIY-RWMBFGLXSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246589066 840132565 /nfs/dbraw/zinc/13/25/65/840132565.db2.gz YONIVFBUCZMMIY-RWMBFGLXSA-N 2 3 253.390 0.160 20 0 CCADHP C[N@@H+]1CCC[C@@H](N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC001336286746 920702758 /nfs/dbraw/zinc/70/27/58/920702758.db2.gz UNZWWOHOVBAYNI-QLFBSQMISA-N 2 3 266.433 0.436 20 0 CCADHP C[N@H+]1CCC[C@@H](N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC001336286746 920702771 /nfs/dbraw/zinc/70/27/71/920702771.db2.gz UNZWWOHOVBAYNI-QLFBSQMISA-N 2 3 266.433 0.436 20 0 CCADHP C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627199163 368867192 /nfs/dbraw/zinc/86/71/92/368867192.db2.gz SACFBYJIJCSTJP-ZIAGYGMSSA-N 2 3 299.463 0.262 20 0 CCADHP COCC1(C[NH2+]CC23CC(C2)CN3)CC[NH2+]CC1 ZINC000634995836 372332756 /nfs/dbraw/zinc/33/27/56/372332756.db2.gz QFJUWOGQCWIYQD-UHFFFAOYSA-N 2 3 253.390 0.344 20 0 CCADHP COC[C@H](CCC[NH3+])Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012601 372342569 /nfs/dbraw/zinc/34/25/69/372342569.db2.gz ULGKQARVOPHPGR-ZDUSSCGKSA-N 2 3 293.415 0.657 20 0 CCADHP C(CN[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CN1CC[NH2+]CC1 ZINC000414787860 389638355 /nfs/dbraw/zinc/63/83/55/389638355.db2.gz CVIDEGKSCAINOI-PMPSAXMXSA-N 2 3 280.460 0.792 20 0 CCADHP CN(CCN1CC[NH2+]CC1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652335864 412030295 /nfs/dbraw/zinc/03/02/95/412030295.db2.gz MSTNFFXFQNBCFD-UHFFFAOYSA-N 2 3 288.439 0.669 20 0 CCADHP C[NH2+]CCCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363876 412039930 /nfs/dbraw/zinc/03/99/30/412039930.db2.gz PWHAHEFKHMLABR-MJBXVCDLSA-N 2 3 255.406 0.957 20 0 CCADHP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284272 414706348 /nfs/dbraw/zinc/70/63/48/414706348.db2.gz UVSGEAUIBJXMOV-KGLIPLIRSA-N 2 3 279.428 0.971 20 0 CCADHP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284272 414706349 /nfs/dbraw/zinc/70/63/49/414706349.db2.gz UVSGEAUIBJXMOV-KGLIPLIRSA-N 2 3 279.428 0.971 20 0 CCADHP CC(C)(C)N1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000414866194 277151315 /nfs/dbraw/zinc/15/13/15/277151315.db2.gz MLCZJGCEHBIQGO-UHFFFAOYSA-N 2 3 268.449 0.744 20 0 CCADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423192065 295250801 /nfs/dbraw/zinc/25/08/01/295250801.db2.gz VHOHMIHGBLMJJI-UONOGXRCSA-N 2 3 254.422 0.389 20 0 CCADHP C[C@H]1CN(CC2CC[NH+](CCOCC[NH3+])CC2)C[C@H](C)O1 ZINC000357090428 524586337 /nfs/dbraw/zinc/58/63/37/524586337.db2.gz VPDQBSBHAGOVIL-GJZGRUSLSA-N 2 3 299.459 0.783 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782031 614862199 /nfs/dbraw/zinc/86/21/99/614862199.db2.gz DUKOJIMMMWFGOW-JHJVBQTASA-N 2 3 267.417 0.861 20 0 CCADHP CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782031 614862201 /nfs/dbraw/zinc/86/22/01/614862201.db2.gz DUKOJIMMMWFGOW-JHJVBQTASA-N 2 3 267.417 0.861 20 0 CCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995256 615131596 /nfs/dbraw/zinc/13/15/96/615131596.db2.gz MNDSQEKSOQQROM-CQSZACIVSA-N 2 3 290.415 0.514 20 0 CCADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030458 615144735 /nfs/dbraw/zinc/14/47/35/615144735.db2.gz OZCVKXPYAKAGHV-OLZOCXBDSA-N 2 3 269.437 0.782 20 0 CCADHP C[NH2+]CCOCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718114 616968600 /nfs/dbraw/zinc/96/86/00/616968600.db2.gz GRMORUVPGYGADJ-LSDHHAIUSA-N 2 3 269.433 0.980 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716592 634627697 /nfs/dbraw/zinc/62/76/97/634627697.db2.gz PXMCYIMCERHGRW-LJISPDSOSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@]1(C[NH3+])CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903747764 634634549 /nfs/dbraw/zinc/63/45/49/634634549.db2.gz WSWHKIDVYRFJCS-UONOGXRCSA-N 2 3 267.417 0.816 20 0 CCADHP C[C@]1(C[NH3+])CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903747236 634635199 /nfs/dbraw/zinc/63/51/99/634635199.db2.gz QJTKTHSNGXMOLD-MCIONIFRSA-N 2 3 253.390 0.426 20 0 CCADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000903918717 634685246 /nfs/dbraw/zinc/68/52/46/634685246.db2.gz GACRYMULIGHJAV-TZMCWYRMSA-N 2 3 290.415 0.434 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+]CC2(C)CC[NH2+]CC2)cnn1C ZINC000903918993 634687124 /nfs/dbraw/zinc/68/71/24/634687124.db2.gz KCNPADZPRGVJHH-CQSZACIVSA-N 2 3 293.459 0.825 20 0 CCADHP [NH3+]CCN1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000904359069 634734400 /nfs/dbraw/zinc/73/44/00/634734400.db2.gz YDTBRYAOWJOAFD-AWEZNQCLSA-N 2 3 266.433 0.674 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925476803 638123398 /nfs/dbraw/zinc/12/33/98/638123398.db2.gz AJYJJMPXFMHQLH-DZKIICNBSA-N 2 3 280.460 0.885 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925476803 638123400 /nfs/dbraw/zinc/12/34/00/638123400.db2.gz AJYJJMPXFMHQLH-DZKIICNBSA-N 2 3 280.460 0.885 20 0 CCADHP C[C@H]1NCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925712961 648455671 /nfs/dbraw/zinc/45/56/71/648455671.db2.gz WHMAGHAWIXNCFY-PRLABOORSA-N 2 3 280.460 0.933 20 0 CCADHP C[C@H]1NCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925712961 648455672 /nfs/dbraw/zinc/45/56/72/648455672.db2.gz WHMAGHAWIXNCFY-PRLABOORSA-N 2 3 280.460 0.933 20 0 CCADHP C[C@H](NCCCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000925846363 648466176 /nfs/dbraw/zinc/46/61/76/648466176.db2.gz MFRXBXYCTTYXGU-GJZGRUSLSA-N 2 3 268.449 0.792 20 0 CCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161048903 802076418 /nfs/dbraw/zinc/07/64/18/802076418.db2.gz AKBFBQVOISIYED-UONOGXRCSA-N 2 3 282.432 0.254 20 0 CCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161048903 802076426 /nfs/dbraw/zinc/07/64/26/802076426.db2.gz AKBFBQVOISIYED-UONOGXRCSA-N 2 3 282.432 0.254 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C1(C)CC[NH2+]CC1 ZINC001161066598 802080797 /nfs/dbraw/zinc/08/07/97/802080797.db2.gz BNQASEZQHNRVDP-ZDUSSCGKSA-N 2 3 294.443 0.461 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001161066598 802080804 /nfs/dbraw/zinc/08/08/04/802080804.db2.gz BNQASEZQHNRVDP-ZDUSSCGKSA-N 2 3 294.443 0.461 20 0 CCADHP CN(C)CCN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444167 802155760 /nfs/dbraw/zinc/15/57/60/802155760.db2.gz DFCRBGKPSUZROF-CABCVRRESA-N 2 3 296.459 0.518 20 0 CCADHP C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)[C@H]1CC[NH3+] ZINC000404302917 803850716 /nfs/dbraw/zinc/85/07/16/803850716.db2.gz QKDVFGNWKSTEAR-ILXRZTDVSA-N 2 3 269.433 0.892 20 0 CCADHP C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)[C@H]1CC[NH3+] ZINC000404302917 803850725 /nfs/dbraw/zinc/85/07/25/803850725.db2.gz QKDVFGNWKSTEAR-ILXRZTDVSA-N 2 3 269.433 0.892 20 0 CCADHP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220386433 804591468 /nfs/dbraw/zinc/59/14/68/804591468.db2.gz TUAXTBFMZLQCCT-ZDUSSCGKSA-N 2 3 296.459 0.707 20 0 CCADHP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220386433 804591473 /nfs/dbraw/zinc/59/14/73/804591473.db2.gz TUAXTBFMZLQCCT-ZDUSSCGKSA-N 2 3 296.459 0.707 20 0 CCADHP CN1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221240888 804754459 /nfs/dbraw/zinc/75/44/59/804754459.db2.gz GSZXMCMTNXAFRT-WCQYABFASA-N 2 3 256.394 0.043 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@H](C)C1 ZINC001221410466 804810656 /nfs/dbraw/zinc/81/06/56/804810656.db2.gz YCYYLEFKGYGUOB-RDBSUJKOSA-N 2 3 284.448 0.678 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@H](C)C1 ZINC001221410466 804810665 /nfs/dbraw/zinc/81/06/65/804810665.db2.gz YCYYLEFKGYGUOB-RDBSUJKOSA-N 2 3 284.448 0.678 20 0 CCADHP C[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246123405 807159525 /nfs/dbraw/zinc/15/95/25/807159525.db2.gz DKZCIGXFRWKRSY-MGPQQGTHSA-N 2 3 266.433 0.591 20 0 CCADHP CCCC[C@@H]1C[C@@H](NCCC2(O)C[NH2+]C2)CC[NH2+]1 ZINC001246119612 807159895 /nfs/dbraw/zinc/15/98/95/807159895.db2.gz WNJFTIKMTLTNGS-OLZOCXBDSA-N 2 3 255.406 0.611 20 0 CCADHP CN1CCC[C@@H]1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246230316 807193307 /nfs/dbraw/zinc/19/33/07/807193307.db2.gz AIESVABIRZTBDB-CHWSQXEVSA-N 2 3 252.406 0.154 20 0 CCADHP CC1(C)CC[NH2+]C[C@@H]1N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246334148 807224887 /nfs/dbraw/zinc/22/48/87/807224887.db2.gz YYLFGJYIXWWAQR-RYUDHWBXSA-N 2 3 252.406 0.058 20 0 CCADHP [NH3+]C[C@H]1CN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1(F)F ZINC001246562541 807289505 /nfs/dbraw/zinc/28/95/05/807289505.db2.gz UDLZRJVETWPYFZ-USZNOCQGSA-N 2 3 259.344 0.900 20 0 CCADHP CC(C)[NH+]1CCC(N2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246604205 807317756 /nfs/dbraw/zinc/31/77/56/807317756.db2.gz NJYFMJRTYSCSDP-UHFFFAOYSA-N 2 3 280.460 0.887 20 0 CCADHP C1[NH2+]CC12C[C@@H]([N@@H+]1CCCC13CCNCC3)CCN2 ZINC001246656024 807348044 /nfs/dbraw/zinc/34/80/44/807348044.db2.gz RSENRNOXWUNGPB-ZDUSSCGKSA-N 2 3 264.417 0.298 20 0 CCADHP C1[NH2+]CC12C[C@@H]([N@H+]1CCCC13CCNCC3)CCN2 ZINC001246656024 807348052 /nfs/dbraw/zinc/34/80/52/807348052.db2.gz RSENRNOXWUNGPB-ZDUSSCGKSA-N 2 3 264.417 0.298 20 0 CCADHP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C1CCNCC1 ZINC001246746393 807371017 /nfs/dbraw/zinc/37/10/17/807371017.db2.gz IHRCDQNDSPJRIA-LSDHHAIUSA-N 2 3 266.433 0.449 20 0 CCADHP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1CCNCC1 ZINC001246746393 807371025 /nfs/dbraw/zinc/37/10/25/807371025.db2.gz IHRCDQNDSPJRIA-LSDHHAIUSA-N 2 3 266.433 0.449 20 0 CCADHP C[N@@H+]1CCC[C@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001255480578 808383177 /nfs/dbraw/zinc/38/31/77/808383177.db2.gz XUJVAXMJASSBDY-AWEZNQCLSA-N 2 3 254.422 0.437 20 0 CCADHP C[N@H+]1CCC[C@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001255480578 808383185 /nfs/dbraw/zinc/38/31/85/808383185.db2.gz XUJVAXMJASSBDY-AWEZNQCLSA-N 2 3 254.422 0.437 20 0 CCADHP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161446559 811634176 /nfs/dbraw/zinc/63/41/76/811634176.db2.gz SLGWZGRVBROBFY-ZNMIVQPWSA-N 2 3 298.475 0.892 20 0 CCADHP CC[NH+](CC)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219555695 811683104 /nfs/dbraw/zinc/68/31/04/811683104.db2.gz NLTFJSOIBBCJKB-ZDUSSCGKSA-N 2 3 282.432 0.319 20 0 CCADHP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157844928 837493473 /nfs/dbraw/zinc/49/34/73/837493473.db2.gz YSSHYUDYOYGWGP-MJBXVCDLSA-N 2 3 284.448 0.631 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422746 838157305 /nfs/dbraw/zinc/15/73/05/838157305.db2.gz LJKSFQFIMYTIGU-BFHYXJOUSA-N 2 3 282.432 0.445 20 0 CCADHP N[C@H](CCC[NH3+])Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001170899001 839544994 /nfs/dbraw/zinc/54/49/94/839544994.db2.gz GLQCOHXYDOUYHW-HNNXBMFYSA-N 2 3 277.416 0.527 20 0 CCADHP [NH3+]C1CCN(C2CCN(C3CC[NH2+]CC3)CC2)CC1 ZINC001246968659 840647043 /nfs/dbraw/zinc/64/70/43/840647043.db2.gz NDJOICMVBKPPSU-UHFFFAOYSA-N 2 3 266.433 0.626 20 0 CCADHP CC(C)C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000568879044 358714192 /nfs/dbraw/zinc/71/41/92/358714192.db2.gz DPERIFOPOZEVEQ-KFWWJZLASA-N 2 3 298.475 0.938 20 0 CCADHP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000563137816 291197805 /nfs/dbraw/zinc/19/78/05/291197805.db2.gz YNLHNZOCFDEDKY-UONOGXRCSA-N 2 3 284.448 0.489 20 0 CCADHP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000563137816 291197806 /nfs/dbraw/zinc/19/78/06/291197806.db2.gz YNLHNZOCFDEDKY-UONOGXRCSA-N 2 3 284.448 0.489 20 0 CCADHP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629565423 369711712 /nfs/dbraw/zinc/71/17/12/369711712.db2.gz OOXOAPFELMJJLG-INIZCTEOSA-N 2 3 298.475 0.059 20 0 CCADHP [NH3+]CC1(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000634996848 372333531 /nfs/dbraw/zinc/33/35/31/372333531.db2.gz WZEJLBVXINXNQX-ZIAGYGMSSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000634996848 372333535 /nfs/dbraw/zinc/33/35/35/372333535.db2.gz WZEJLBVXINXNQX-ZIAGYGMSSA-N 2 3 267.417 0.944 20 0 CCADHP CN1CCC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000635007074 372340084 /nfs/dbraw/zinc/34/00/84/372340084.db2.gz DRNBVSRVCAWLAB-UHFFFAOYSA-N 2 3 275.400 0.997 20 0 CCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC[NH3+] ZINC000418311612 285277844 /nfs/dbraw/zinc/27/78/44/285277844.db2.gz MRNDWICGVSZGEL-AWEZNQCLSA-N 2 3 299.463 0.393 20 0 CCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC[NH3+] ZINC000418311612 285277846 /nfs/dbraw/zinc/27/78/46/285277846.db2.gz MRNDWICGVSZGEL-AWEZNQCLSA-N 2 3 299.463 0.393 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423211528 389553307 /nfs/dbraw/zinc/55/33/07/389553307.db2.gz YPFUAGUJKVUJCQ-OAGGEKHMSA-N 2 3 280.460 0.792 20 0 CCADHP CC[N@@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000414888032 389643321 /nfs/dbraw/zinc/64/33/21/389643321.db2.gz RPVVRJHWXLTDTN-ZIAGYGMSSA-N 2 3 254.422 0.212 20 0 CCADHP CC[N@H+]1CC[C@@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000414888032 389643324 /nfs/dbraw/zinc/64/33/24/389643324.db2.gz RPVVRJHWXLTDTN-ZIAGYGMSSA-N 2 3 254.422 0.212 20 0 CCADHP CN1CCN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788612 390172367 /nfs/dbraw/zinc/17/23/67/390172367.db2.gz NCRFOGZZSTVFGR-BRWVUGGUSA-N 2 3 294.487 0.992 20 0 CCADHP CN(C)CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400998663 411779544 /nfs/dbraw/zinc/77/95/44/411779544.db2.gz LOAZVGJOEYVBPM-MGPQQGTHSA-N 2 3 255.406 0.542 20 0 CCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC[NH3+] ZINC000418311614 279302690 /nfs/dbraw/zinc/30/26/90/279302690.db2.gz MRNDWICGVSZGEL-CQSZACIVSA-N 2 3 299.463 0.393 20 0 CCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC[NH3+] ZINC000418311614 279302691 /nfs/dbraw/zinc/30/26/91/279302691.db2.gz MRNDWICGVSZGEL-CQSZACIVSA-N 2 3 299.463 0.393 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693201 613223928 /nfs/dbraw/zinc/22/39/28/613223928.db2.gz PQIMDBBCNLTXRD-HOTGVXAUSA-N 2 3 280.460 0.650 20 0 CCADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923428964 613224992 /nfs/dbraw/zinc/22/49/92/613224992.db2.gz UTKCTHWMICJDFB-CABCVRRESA-N 2 3 279.428 0.831 20 0 CCADHP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCNCC1 ZINC000923327816 614585453 /nfs/dbraw/zinc/58/54/53/614585453.db2.gz RGHLIQALSUWSBK-CQSZACIVSA-N 2 3 267.417 0.829 20 0 CCADHP CCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCNCC1 ZINC000923327816 614585456 /nfs/dbraw/zinc/58/54/56/614585456.db2.gz RGHLIQALSUWSBK-CQSZACIVSA-N 2 3 267.417 0.829 20 0 CCADHP CCCN(C[C@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923327816 614585459 /nfs/dbraw/zinc/58/54/59/614585459.db2.gz RGHLIQALSUWSBK-CQSZACIVSA-N 2 3 267.417 0.829 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752157 614702183 /nfs/dbraw/zinc/70/21/83/614702183.db2.gz KQWGSNJIKHGFLW-IPYPFGDCSA-N 2 3 267.417 0.733 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752157 614702184 /nfs/dbraw/zinc/70/21/84/614702184.db2.gz KQWGSNJIKHGFLW-IPYPFGDCSA-N 2 3 267.417 0.733 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782034 614862090 /nfs/dbraw/zinc/86/20/90/614862090.db2.gz DUKOJIMMMWFGOW-YNEHKIRRSA-N 2 3 267.417 0.861 20 0 CCADHP CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782034 614862092 /nfs/dbraw/zinc/86/20/92/614862092.db2.gz DUKOJIMMMWFGOW-YNEHKIRRSA-N 2 3 267.417 0.861 20 0 CCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000849017043 615131611 /nfs/dbraw/zinc/13/16/11/615131611.db2.gz YCCNHKVTRGBIPM-CQSZACIVSA-N 2 3 279.432 0.847 20 0 CCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000849017043 615131612 /nfs/dbraw/zinc/13/16/12/615131612.db2.gz YCCNHKVTRGBIPM-CQSZACIVSA-N 2 3 279.432 0.847 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+]CCC[C@@H]2CCC[NH2+]2)cnn1C ZINC000903919012 634686347 /nfs/dbraw/zinc/68/63/47/634686347.db2.gz KKKWLJREDSABRK-GOEBONIOSA-N 2 3 293.459 0.968 20 0 CCADHP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1CC[NH3+] ZINC000903978760 634700861 /nfs/dbraw/zinc/70/08/61/634700861.db2.gz WMZMIGOIZBWLQR-HZSPNIEDSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1CC[NH3+] ZINC000903978760 634700873 /nfs/dbraw/zinc/70/08/73/634700873.db2.gz WMZMIGOIZBWLQR-HZSPNIEDSA-N 2 3 282.432 0.100 20 0 CCADHP NC1(C[NH2+]C2CCN(CC[NH3+])CC2)CCCCC1 ZINC000904353624 634733897 /nfs/dbraw/zinc/73/38/97/634733897.db2.gz OZFSBWJJQCKBKT-UHFFFAOYSA-N 2 3 254.422 0.661 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817986 631308898 /nfs/dbraw/zinc/30/88/98/631308898.db2.gz YRDUEZUIIGDLJP-TZMCWYRMSA-N 2 3 254.422 0.387 20 0 CCADHP C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000873293487 646372572 /nfs/dbraw/zinc/37/25/72/646372572.db2.gz KWSIFWIRQSSRDB-WCQYABFASA-N 2 3 253.390 0.343 20 0 CCADHP [NH3+]C1CN([C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001236080815 806543274 /nfs/dbraw/zinc/54/32/74/806543274.db2.gz XHXDJAWKHWLVPW-KRWDZBQOSA-N 2 3 286.423 0.897 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160973989 802056632 /nfs/dbraw/zinc/05/66/32/802056632.db2.gz WYALOPDKJUEDEW-QWRGUYRKSA-N 2 3 292.374 0.241 20 0 CCADHP CN(C)CCN(C(=O)C[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161448735 802155413 /nfs/dbraw/zinc/15/54/13/802155413.db2.gz GXSUJCGIUSHOIT-CABCVRRESA-N 2 3 296.459 0.661 20 0 CCADHP [NH3+]CCNC(=O)c1cccc(CN2CCC(C[NH3+])CC2)c1 ZINC001205053088 803116490 /nfs/dbraw/zinc/11/64/90/803116490.db2.gz KKAFJMNFUNJMKZ-UHFFFAOYSA-N 2 3 290.411 0.546 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816221 804427349 /nfs/dbraw/zinc/42/73/49/804427349.db2.gz FBYXUTKZRCIPMH-MJBXVCDLSA-N 2 3 276.384 0.272 20 0 CCADHP CCC[NH+]1CCC(NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001219954959 804458889 /nfs/dbraw/zinc/45/88/89/804458889.db2.gz ZNXHVIHFLWEKGK-LBPRGKRZSA-N 2 3 256.394 0.043 20 0 CCADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220062055 804490870 /nfs/dbraw/zinc/49/08/70/804490870.db2.gz LBVNETDBMCWMPV-HIFRSBDPSA-N 2 3 296.459 0.694 20 0 CCADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220062055 804490872 /nfs/dbraw/zinc/49/08/72/804490872.db2.gz LBVNETDBMCWMPV-HIFRSBDPSA-N 2 3 296.459 0.694 20 0 CCADHP C[C@H](CNC(=O)[C@@H](N)C1CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001220765841 804663623 /nfs/dbraw/zinc/66/36/23/804663623.db2.gz GNRRTWBJTQYAQJ-JSGCOSHPSA-N 2 3 298.475 0.831 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220973514 804712334 /nfs/dbraw/zinc/71/23/34/804712334.db2.gz XVMVDPVDMSZXGV-AWEZNQCLSA-N 2 3 296.459 0.953 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972543 804713033 /nfs/dbraw/zinc/71/30/33/804713033.db2.gz HNVZUCAOCIWUHI-CYBMUJFWSA-N 2 3 282.432 0.563 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246149161 807167650 /nfs/dbraw/zinc/16/76/50/807167650.db2.gz UCAWDLKGQGORDU-LXTVHRRPSA-N 2 3 280.460 0.979 20 0 CCADHP CCOC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246320705 807220722 /nfs/dbraw/zinc/22/07/22/807220722.db2.gz SPMGIUPVUWIDCX-PBWFPOADSA-N 2 3 295.427 0.792 20 0 CCADHP [NH3+]CCNCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246406826 807244692 /nfs/dbraw/zinc/24/46/92/807244692.db2.gz VDBCTODOHHYQQQ-HUUCEWRRSA-N 2 3 262.401 0.618 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246418602 807248314 /nfs/dbraw/zinc/24/83/14/807248314.db2.gz RXVRTPNKRQAWLC-KCQAQPDRSA-N 2 3 282.432 0.481 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544165 807279271 /nfs/dbraw/zinc/27/92/71/807279271.db2.gz PIOBLHDABXZODX-CBBWQLFWSA-N 2 3 267.417 0.835 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544165 807279272 /nfs/dbraw/zinc/27/92/72/807279272.db2.gz PIOBLHDABXZODX-CBBWQLFWSA-N 2 3 267.417 0.835 20 0 CCADHP C[C@@H]1C[N@@H+]([C@H]2CCOC3(CNC3)C2)CCC[C@@H]1C[NH3+] ZINC001246569098 807295151 /nfs/dbraw/zinc/29/51/51/807295151.db2.gz PXNDCAGZBCZSTL-MCIONIFRSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1C[N@H+]([C@H]2CCOC3(CNC3)C2)CCC[C@@H]1C[NH3+] ZINC001246569098 807295153 /nfs/dbraw/zinc/29/51/53/807295153.db2.gz PXNDCAGZBCZSTL-MCIONIFRSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246630367 807334039 /nfs/dbraw/zinc/33/40/39/807334039.db2.gz JIIKVSVHABOFAP-REWJHTLYSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@H]1C[C@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630367 807334045 /nfs/dbraw/zinc/33/40/45/807334045.db2.gz JIIKVSVHABOFAP-REWJHTLYSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@H]1C[C@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630367 807334051 /nfs/dbraw/zinc/33/40/51/807334051.db2.gz JIIKVSVHABOFAP-REWJHTLYSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246630370 807334212 /nfs/dbraw/zinc/33/42/12/807334212.db2.gz JIIKVSVHABOFAP-YIYPIFLZSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630370 807334221 /nfs/dbraw/zinc/33/42/21/807334221.db2.gz JIIKVSVHABOFAP-YIYPIFLZSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@@H]1C[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630370 807334228 /nfs/dbraw/zinc/33/42/28/807334228.db2.gz JIIKVSVHABOFAP-YIYPIFLZSA-N 2 3 253.390 0.437 20 0 CCADHP NC[C@@H]1CCCC[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598065 840153684 /nfs/dbraw/zinc/15/36/84/840153684.db2.gz ZOYLGRWYOXITTJ-NWDGAFQWSA-N 2 3 255.431 0.895 20 0 CCADHP NC[C@@H]1CCCC[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598065 840153688 /nfs/dbraw/zinc/15/36/88/840153688.db2.gz ZOYLGRWYOXITTJ-NWDGAFQWSA-N 2 3 255.431 0.895 20 0 CCADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598072 840155342 /nfs/dbraw/zinc/15/53/42/840155342.db2.gz ZOYLGRWYOXITTJ-RYUDHWBXSA-N 2 3 255.431 0.895 20 0 CCADHP NC[C@@H]1CCCC[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598072 840155351 /nfs/dbraw/zinc/15/53/51/840155351.db2.gz ZOYLGRWYOXITTJ-RYUDHWBXSA-N 2 3 255.431 0.895 20 0 CCADHP CN1CCC[N@H+](CCCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC001356581606 926403288 /nfs/dbraw/zinc/40/32/88/926403288.db2.gz BQAKWEGCQHVSKL-INIZCTEOSA-N 2 3 298.475 0.060 20 0 CCADHP CN1CCC[N@@H+](CCCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC001356581606 926403294 /nfs/dbraw/zinc/40/32/94/926403294.db2.gz BQAKWEGCQHVSKL-INIZCTEOSA-N 2 3 298.475 0.060 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000234702240 352166716 /nfs/dbraw/zinc/16/67/16/352166716.db2.gz JTBIPSKKGWTLIF-IHRRRGAJSA-N 2 3 255.406 0.957 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000234702240 352166718 /nfs/dbraw/zinc/16/67/18/352166718.db2.gz JTBIPSKKGWTLIF-IHRRRGAJSA-N 2 3 255.406 0.957 20 0 CCADHP C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422740776 389463738 /nfs/dbraw/zinc/46/37/38/389463738.db2.gz NEILELODWNJAQT-GDBMZVCRSA-N 2 3 282.476 0.990 20 0 CCADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000422982605 389517066 /nfs/dbraw/zinc/51/70/66/389517066.db2.gz XCCTXWMAJLAMLA-SOUVJXGZSA-N 2 3 269.433 0.940 20 0 CCADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000422982605 389517070 /nfs/dbraw/zinc/51/70/70/389517070.db2.gz XCCTXWMAJLAMLA-SOUVJXGZSA-N 2 3 269.433 0.940 20 0 CCADHP C[C@H]([NH3+])C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420290917 389979028 /nfs/dbraw/zinc/97/90/28/389979028.db2.gz JUQSAUMCTPVLRN-JQFCIGGWSA-N 2 3 291.439 0.977 20 0 CCADHP C[C@H]([NH3+])C1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420290917 389979029 /nfs/dbraw/zinc/97/90/29/389979029.db2.gz JUQSAUMCTPVLRN-JQFCIGGWSA-N 2 3 291.439 0.977 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579363213 390166910 /nfs/dbraw/zinc/16/69/10/390166910.db2.gz IREFALYTBNYSPY-MCIONIFRSA-N 2 3 255.406 0.278 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579363213 390166913 /nfs/dbraw/zinc/16/69/13/390166913.db2.gz IREFALYTBNYSPY-MCIONIFRSA-N 2 3 255.406 0.278 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579363213 390166917 /nfs/dbraw/zinc/16/69/17/390166917.db2.gz IREFALYTBNYSPY-MCIONIFRSA-N 2 3 255.406 0.278 20 0 CCADHP COCC1(CN[C@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]CC1 ZINC000647547159 390839268 /nfs/dbraw/zinc/83/92/68/390839268.db2.gz PLOBDKCXIQLBPR-CHWSQXEVSA-N 2 3 255.406 0.590 20 0 CCADHP C[C@@H]1CN(CC2CC[NH+](CCOCC[NH3+])CC2)C[C@H](C)O1 ZINC000357090427 144059159 /nfs/dbraw/zinc/05/91/59/144059159.db2.gz VPDQBSBHAGOVIL-GASCZTMLSA-N 2 3 299.459 0.783 20 0 CCADHP C[N@@H+]1CCC[C@H](N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000649414819 397608598 /nfs/dbraw/zinc/60/85/98/397608598.db2.gz ZOBJVLLBDXXCLV-HOTGVXAUSA-N 2 3 280.460 0.698 20 0 CCADHP C[N@H+]1CCC[C@H](N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000649414819 397608599 /nfs/dbraw/zinc/60/85/99/397608599.db2.gz ZOBJVLLBDXXCLV-HOTGVXAUSA-N 2 3 280.460 0.698 20 0 CCADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761927 397755243 /nfs/dbraw/zinc/75/52/43/397755243.db2.gz NRXGCCDSLZNNDJ-UBHSHLNASA-N 2 3 255.406 0.718 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295259 414707357 /nfs/dbraw/zinc/70/73/57/414707357.db2.gz USKXUPWIUODPIV-LSDHHAIUSA-N 2 3 269.433 0.668 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663498750 415080475 /nfs/dbraw/zinc/08/04/75/415080475.db2.gz TWBHDOCEQUFXFT-OWYFMNJBSA-N 2 3 279.428 0.957 20 0 CCADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788856 613223387 /nfs/dbraw/zinc/22/33/87/613223387.db2.gz RIMXCTGDLWUSKC-ZNMIVQPWSA-N 2 3 279.428 0.686 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369278 614702056 /nfs/dbraw/zinc/70/20/56/614702056.db2.gz JNTUGKRTXVHRHG-NEPJUHHUSA-N 2 3 253.390 0.343 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369278 614702058 /nfs/dbraw/zinc/70/20/58/614702058.db2.gz JNTUGKRTXVHRHG-NEPJUHHUSA-N 2 3 253.390 0.343 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752161 614702215 /nfs/dbraw/zinc/70/22/15/614702215.db2.gz KQWGSNJIKHGFLW-VNHYZAJKSA-N 2 3 267.417 0.733 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752161 614702217 /nfs/dbraw/zinc/70/22/17/614702217.db2.gz KQWGSNJIKHGFLW-VNHYZAJKSA-N 2 3 267.417 0.733 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925716510 616940647 /nfs/dbraw/zinc/94/06/47/616940647.db2.gz OAICQQSBQQHJFM-DZGCQCFKSA-N 2 3 296.459 0.707 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925716512 616940678 /nfs/dbraw/zinc/94/06/78/616940678.db2.gz OAICQQSBQQHJFM-UKRRQHHQSA-N 2 3 296.459 0.707 20 0 CCADHP C[NH+](C)CCN1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1 ZINC000900007951 633937920 /nfs/dbraw/zinc/93/79/20/633937920.db2.gz WHHAGOJZTJBCNJ-INIZCTEOSA-N 2 3 294.443 0.178 20 0 CCADHP C[NH+](C)CCN1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1 ZINC000900007951 633937925 /nfs/dbraw/zinc/93/79/25/633937925.db2.gz WHHAGOJZTJBCNJ-INIZCTEOSA-N 2 3 294.443 0.178 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000923357842 640094800 /nfs/dbraw/zinc/09/48/00/640094800.db2.gz SYLNVCZMFQKHOU-RFGFWPKPSA-N 2 3 253.390 0.159 20 0 CCADHP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C1CC[NH2+]CC1 ZINC000873220633 646361407 /nfs/dbraw/zinc/36/14/07/646361407.db2.gz PUWSPZFLUXFAIZ-STQMWFEESA-N 2 3 282.432 0.161 20 0 CCADHP C[C@@H](NCCCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000925846362 648466520 /nfs/dbraw/zinc/46/65/20/648466520.db2.gz MFRXBXYCTTYXGU-CABCVRRESA-N 2 3 268.449 0.792 20 0 CCADHP N[C@H](C(=O)N1CCC2(CCC[NH2+]2)CC1)C1CC[NH2+]CC1 ZINC001158169705 801581762 /nfs/dbraw/zinc/58/17/62/801581762.db2.gz RISCDJWRSGIAQZ-ZDUSSCGKSA-N 2 3 280.416 0.058 20 0 CCADHP CC[NH+](CC)C1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160482177 801948853 /nfs/dbraw/zinc/94/88/53/801948853.db2.gz ALBOCGMWPJFUOU-OAHLLOKOSA-N 2 3 296.459 0.646 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058392 802080415 /nfs/dbraw/zinc/08/04/15/802080415.db2.gz TWFQLFBZDXXEPS-MELADBBJSA-N 2 3 294.443 0.589 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058392 802080423 /nfs/dbraw/zinc/08/04/23/802080423.db2.gz TWFQLFBZDXXEPS-MELADBBJSA-N 2 3 294.443 0.589 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001161081061 802083949 /nfs/dbraw/zinc/08/39/49/802083949.db2.gz CZIOAMLBBWFIFA-HZSPNIEDSA-N 2 3 282.432 0.256 20 0 CCADHP CN(C)CCN(C(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161449318 802155322 /nfs/dbraw/zinc/15/53/22/802155322.db2.gz LNXHRVBYABRZFZ-UKRRQHHQSA-N 2 3 282.432 0.128 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1[NH2+][C@H]2CC[C@@H]1C2)[C@@H]1CCC[NH2+]C1 ZINC001161444335 802155766 /nfs/dbraw/zinc/15/57/66/802155766.db2.gz GHPGSLLKJSCXKC-BARDWOONSA-N 2 3 294.443 0.269 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161489427 802162663 /nfs/dbraw/zinc/16/26/63/802162663.db2.gz NFIYHGNIWDQEKS-DZGCQCFKSA-N 2 3 284.448 0.633 20 0 CCADHP C[NH+](C)CCN1CC2(CN(CCC3CC[NH+](C)CC3)C2)C1 ZINC001276725695 803821880 /nfs/dbraw/zinc/82/18/80/803821880.db2.gz DDLVZMBBRINGEE-UHFFFAOYSA-N 2 3 294.487 0.898 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218994742 804178806 /nfs/dbraw/zinc/17/88/06/804178806.db2.gz KVMDIWFGHLINHR-OCCSQVGLSA-N 2 3 276.384 0.768 20 0 CCADHP N[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC001219347036 804280659 /nfs/dbraw/zinc/28/06/59/804280659.db2.gz CSKYSNKPSYSEET-CYBMUJFWSA-N 2 3 262.357 0.411 20 0 CCADHP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001219646570 804391543 /nfs/dbraw/zinc/39/15/43/804391543.db2.gz VKZICCMQNJJIDL-RDBSUJKOSA-N 2 3 284.448 0.407 20 0 CCADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246147455 807167857 /nfs/dbraw/zinc/16/78/57/807167857.db2.gz KTAGUUIVPXJBJC-SYQHCUMBSA-N 2 3 253.390 0.628 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246412251 807247383 /nfs/dbraw/zinc/24/73/83/807247383.db2.gz AKZIMGFJFLFRRB-AWEZNQCLSA-N 2 3 296.459 0.871 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246412255 807247393 /nfs/dbraw/zinc/24/73/93/807247393.db2.gz AMAYAMCQEYXULM-LBPRGKRZSA-N 2 3 268.405 0.091 20 0 CCADHP C[C@H]1CC[C@@H](N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)C[NH2+]1 ZINC001246749695 807369636 /nfs/dbraw/zinc/36/96/36/807369636.db2.gz SHOYFHDNCNIWPG-XUWVNRHRSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@H]1CC[C@@H](N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)C[NH2+]1 ZINC001246749695 807369643 /nfs/dbraw/zinc/36/96/43/807369643.db2.gz SHOYFHDNCNIWPG-XUWVNRHRSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@H]1CC[C@@H](N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749695 807369651 /nfs/dbraw/zinc/36/96/51/807369651.db2.gz SHOYFHDNCNIWPG-XUWVNRHRSA-N 2 3 280.460 0.837 20 0 CCADHP c1ncn([C@H]2CC[NH2+]C3(CNC3)C2)c1C1CC[NH2+]CC1 ZINC001246868146 807414780 /nfs/dbraw/zinc/41/47/80/807414780.db2.gz QWHYAYYTCYLSLW-ZDUSSCGKSA-N 2 3 275.400 0.617 20 0 CCADHP CN(CC[NH3+])CC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168365994 815221807 /nfs/dbraw/zinc/22/18/07/815221807.db2.gz HPVQNGPZKXLXDI-UHFFFAOYSA-N 2 3 254.422 0.341 20 0 CCADHP N[C@H](CCC[NH3+])Nc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001170900244 839548878 /nfs/dbraw/zinc/54/88/78/839548878.db2.gz QQULMJLFTMRFGZ-ZDUSSCGKSA-N 2 3 274.372 0.457 20 0 CCADHP C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246127694 839633814 /nfs/dbraw/zinc/63/38/14/839633814.db2.gz OXKVFMMOBQJTFJ-KBPBESRZSA-N 2 3 266.433 0.592 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460908 839895054 /nfs/dbraw/zinc/89/50/54/839895054.db2.gz GZZLFFJJVSSRCF-CABCVRRESA-N 2 3 296.459 0.920 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246544621 839951092 /nfs/dbraw/zinc/95/10/92/839951092.db2.gz RLFACZYJYIPUDW-UKRRQHHQSA-N 2 3 267.417 0.837 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246544621 839951103 /nfs/dbraw/zinc/95/11/03/839951103.db2.gz RLFACZYJYIPUDW-UKRRQHHQSA-N 2 3 267.417 0.837 20 0 CCADHP NC[C@H]1CCCC[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598064 840152870 /nfs/dbraw/zinc/15/28/70/840152870.db2.gz ZOYLGRWYOXITTJ-NEPJUHHUSA-N 2 3 255.431 0.895 20 0 CCADHP NC[C@H]1CCCC[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598064 840152875 /nfs/dbraw/zinc/15/28/75/840152875.db2.gz ZOYLGRWYOXITTJ-NEPJUHHUSA-N 2 3 255.431 0.895 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCNCC2)CC1 ZINC001347206469 924398450 /nfs/dbraw/zinc/39/84/50/924398450.db2.gz DGSIQFHZOMDZFY-UHFFFAOYSA-N 2 3 282.432 0.319 20 0 CCADHP NC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002782 358725487 /nfs/dbraw/zinc/72/54/87/358725487.db2.gz JIHAQSIADPFDJJ-KBPBESRZSA-N 2 3 267.417 0.673 20 0 CCADHP NC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002782 358725490 /nfs/dbraw/zinc/72/54/90/358725490.db2.gz JIHAQSIADPFDJJ-KBPBESRZSA-N 2 3 267.417 0.673 20 0 CCADHP NC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002784 358726049 /nfs/dbraw/zinc/72/60/49/358726049.db2.gz JIHAQSIADPFDJJ-UONOGXRCSA-N 2 3 267.417 0.673 20 0 CCADHP NC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002784 358726051 /nfs/dbraw/zinc/72/60/51/358726051.db2.gz JIHAQSIADPFDJJ-UONOGXRCSA-N 2 3 267.417 0.673 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566230641 291379875 /nfs/dbraw/zinc/37/98/75/291379875.db2.gz ZSESJAHDIFCZBA-UONOGXRCSA-N 2 3 294.443 0.306 20 0 CCADHP NCC1(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566230641 291379876 /nfs/dbraw/zinc/37/98/76/291379876.db2.gz ZSESJAHDIFCZBA-UONOGXRCSA-N 2 3 294.443 0.306 20 0 CCADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000568392533 291589055 /nfs/dbraw/zinc/58/90/55/291589055.db2.gz HJGUZAHMHGWXSM-TUKIKUTGSA-N 2 3 263.385 0.987 20 0 CCADHP CC(C)(N)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575059325 335060423 /nfs/dbraw/zinc/06/04/23/335060423.db2.gz QFQASWRRAXZXCK-UHFFFAOYSA-N 2 3 254.422 0.530 20 0 CCADHP CC(C)(N)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000575059325 335060424 /nfs/dbraw/zinc/06/04/24/335060424.db2.gz QFQASWRRAXZXCK-UHFFFAOYSA-N 2 3 254.422 0.530 20 0 CCADHP C[C@H]1CCNC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512321 389596912 /nfs/dbraw/zinc/59/69/12/389596912.db2.gz PRXGMCGFPVLRNL-SLTXQBBLSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@H]1CCNC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512321 389596917 /nfs/dbraw/zinc/59/69/17/389596917.db2.gz PRXGMCGFPVLRNL-SLTXQBBLSA-N 2 3 280.460 0.790 20 0 CCADHP [NH3+]CCOCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000647992604 390242141 /nfs/dbraw/zinc/24/21/41/390242141.db2.gz RIIFVFBRNBPXFF-KGLIPLIRSA-N 2 3 271.405 0.180 20 0 CCADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000570942391 390725963 /nfs/dbraw/zinc/72/59/63/390725963.db2.gz QIZTUYCRIWBPOK-ZIAGYGMSSA-N 2 3 268.449 0.872 20 0 CCADHP COCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC[NH2+]CC1 ZINC000577005166 335277944 /nfs/dbraw/zinc/27/79/44/335277944.db2.gz RAJCEQCNZRUAMN-CHWSQXEVSA-N 2 3 255.406 0.862 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923500837 615100346 /nfs/dbraw/zinc/10/03/46/615100346.db2.gz YKUDANORDRRPIG-KBPBESRZSA-N 2 3 296.459 0.504 20 0 CCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+](C)C ZINC000848989979 615144887 /nfs/dbraw/zinc/14/48/87/615144887.db2.gz PEAJQCZFGRJLBJ-ZDUSSCGKSA-N 2 3 269.437 0.926 20 0 CCADHP C[NH+](C)CCOCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902378507 615906738 /nfs/dbraw/zinc/90/67/38/615906738.db2.gz XNTNSJWPILOVFC-CYBMUJFWSA-N 2 3 257.422 0.932 20 0 CCADHP C[NH+](C)C1CCN(CCNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CC1 ZINC000925217342 616362409 /nfs/dbraw/zinc/36/24/09/616362409.db2.gz YCTPBMUZUKEMLH-FKEKPDDDSA-N 2 3 294.487 0.942 20 0 CCADHP C[NH+](C)C1CCN(CCNC2[C@@H]3CC[C@H]2C[N@H+](C)C3)CC1 ZINC000925217342 616362412 /nfs/dbraw/zinc/36/24/12/616362412.db2.gz YCTPBMUZUKEMLH-FKEKPDDDSA-N 2 3 294.487 0.942 20 0 CCADHP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925217342 616362415 /nfs/dbraw/zinc/36/24/15/616362415.db2.gz YCTPBMUZUKEMLH-FKEKPDDDSA-N 2 3 294.487 0.942 20 0 CCADHP C[C@](C[NH3+])(NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903718090 634629780 /nfs/dbraw/zinc/62/97/80/634629780.db2.gz ZPHPFIDKKIRKDZ-BFHYXJOUSA-N 2 3 253.390 0.472 20 0 CCADHP C[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000903777017 634648102 /nfs/dbraw/zinc/64/81/02/634648102.db2.gz ZATNAYQYYFAUAL-MQYQWHSLSA-N 2 3 253.390 0.282 20 0 CCADHP Cc1c(C[C@H](C[NH3+])CN2CCC(CC[NH3+])CC2)cnn1C ZINC000903931822 634690292 /nfs/dbraw/zinc/69/02/92/634690292.db2.gz IXVUBFUGEUNWGR-OAHLLOKOSA-N 2 3 293.459 0.907 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000923375882 640109261 /nfs/dbraw/zinc/10/92/61/640109261.db2.gz QYPVUIGZNLZVSE-AICCOOGYSA-N 2 3 283.416 0.055 20 0 CCADHP C[C@@H]1C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923497259 640168015 /nfs/dbraw/zinc/16/80/15/640168015.db2.gz DLFXTZXBVGTCTM-IWCQGFGOSA-N 2 3 291.439 0.834 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923497259 640168018 /nfs/dbraw/zinc/16/80/18/640168018.db2.gz DLFXTZXBVGTCTM-IWCQGFGOSA-N 2 3 291.439 0.834 20 0 CCADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816937 648464629 /nfs/dbraw/zinc/46/46/29/648464629.db2.gz LUPTZXUHPMLSNG-GFCCVEGCSA-N 2 3 291.443 0.922 20 0 CCADHP C[NH2+]CC[C@@H](C)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138205 807163922 /nfs/dbraw/zinc/16/39/22/807163922.db2.gz AYBUNGJUVCDHRL-CHWSQXEVSA-N 2 3 254.422 0.448 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705641 802007347 /nfs/dbraw/zinc/00/73/47/802007347.db2.gz YKSGCHURFLFIQS-ZNMIVQPWSA-N 2 3 296.459 0.502 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705641 802007356 /nfs/dbraw/zinc/00/73/56/802007356.db2.gz YKSGCHURFLFIQS-ZNMIVQPWSA-N 2 3 296.459 0.502 20 0 CCADHP NCc1cc(NCCC[NH2+]CCCC[NH3+])ncn1 ZINC001162290540 802301523 /nfs/dbraw/zinc/30/15/23/802301523.db2.gz ZDFVYSNBNONSHP-UHFFFAOYSA-N 2 3 252.366 0.066 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC001206296313 803224565 /nfs/dbraw/zinc/22/45/65/803224565.db2.gz QVBLSOJBJFYPRU-KGLIPLIRSA-N 2 3 255.406 0.816 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC001206296313 803224569 /nfs/dbraw/zinc/22/45/69/803224569.db2.gz QVBLSOJBJFYPRU-KGLIPLIRSA-N 2 3 255.406 0.816 20 0 CCADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710473 804091864 /nfs/dbraw/zinc/09/18/64/804091864.db2.gz GGJJRJBPSYMGBA-WDEREUQCSA-N 2 3 295.387 0.884 20 0 CCADHP [NH3+]Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001219345256 804279832 /nfs/dbraw/zinc/27/98/32/804279832.db2.gz FVPFSROKCRTJTB-IUODEOHRSA-N 2 3 274.368 0.283 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917339 804698847 /nfs/dbraw/zinc/69/88/47/804698847.db2.gz WOQXMRCZJIQWKL-LSDHHAIUSA-N 2 3 296.459 0.823 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917339 804698852 /nfs/dbraw/zinc/69/88/52/804698852.db2.gz WOQXMRCZJIQWKL-LSDHHAIUSA-N 2 3 296.459 0.823 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221128960 804732880 /nfs/dbraw/zinc/73/28/80/804732880.db2.gz RNWVBBYRQAOJRO-AWEZNQCLSA-N 2 3 296.459 0.729 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)C1CC2(C[NH2+]C2)C1 ZINC001221388914 804799191 /nfs/dbraw/zinc/79/91/91/804799191.db2.gz GMFPFWYUBPFION-UHFFFAOYSA-N 2 3 281.404 0.050 20 0 CCADHP OC1(C[N@@H+]2CCC[C@]23CCCNC3)CC[NH2+]CC1 ZINC001246026182 807123503 /nfs/dbraw/zinc/12/35/03/807123503.db2.gz DDNYOUSZPRIDPH-ZDUSSCGKSA-N 2 3 253.390 0.319 20 0 CCADHP OC1(C[N@H+]2CCC[C@]23CCCNC3)CC[NH2+]CC1 ZINC001246026182 807123504 /nfs/dbraw/zinc/12/35/04/807123504.db2.gz DDNYOUSZPRIDPH-ZDUSSCGKSA-N 2 3 253.390 0.319 20 0 CCADHP C(N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246142352 807165188 /nfs/dbraw/zinc/16/51/88/807165188.db2.gz IKDIDKIAKKGZAY-LJISPDSOSA-N 2 3 278.444 0.733 20 0 CCADHP CC[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246142271 807165448 /nfs/dbraw/zinc/16/54/48/807165448.db2.gz IINYBCQURQTIPM-QLFBSQMISA-N 2 3 280.460 0.981 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246147247 807167421 /nfs/dbraw/zinc/16/74/21/807167421.db2.gz WVNKIQDHIAWYMA-TUVASFSCSA-N 2 3 283.416 0.112 20 0 CCADHP C1[NH2+]C[C@H]2OC[C@H](NC3CCC4(CC[NH2+]CC4)CC3)[C@@H]12 ZINC001246149820 807167712 /nfs/dbraw/zinc/16/77/12/807167712.db2.gz URPNICBDWWMKLR-QLFBSQMISA-N 2 3 279.428 0.875 20 0 CCADHP CC[C@@H]1C[C@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545823 807280691 /nfs/dbraw/zinc/28/06/91/807280691.db2.gz XLXBSUYYLZVLEH-MGPQQGTHSA-N 2 3 255.406 0.693 20 0 CCADHP [NH3+]C[C@@]1(O)CCCCN([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246560120 807288407 /nfs/dbraw/zinc/28/84/07/807288407.db2.gz PGWJXBBFRSDRKY-NEPJUHHUSA-N 2 3 271.430 0.010 20 0 CCADHP [NH3+][C@@H]1CCN([C@H]2CSC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246585392 807305839 /nfs/dbraw/zinc/30/58/39/807305839.db2.gz JZPOCTPJVQFFIX-OUAUKWLOSA-N 2 3 259.394 0.595 20 0 CCADHP CC[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246605829 807319129 /nfs/dbraw/zinc/31/91/29/807319129.db2.gz QYGTVTOLBNCESM-KGLIPLIRSA-N 2 3 266.433 0.544 20 0 CCADHP [NH3+]CCCCN1CCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852177 808288655 /nfs/dbraw/zinc/28/86/55/808288655.db2.gz RKVWOBGPGFJQLN-INIZCTEOSA-N 2 3 280.460 0.827 20 0 CCADHP C[N@@H+]1CC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001255442068 808373145 /nfs/dbraw/zinc/37/31/45/808373145.db2.gz SKHALBXDJXTZLQ-INIZCTEOSA-N 2 3 280.460 0.650 20 0 CCADHP C[N@H+]1CC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001255442068 808373154 /nfs/dbraw/zinc/37/31/54/808373154.db2.gz SKHALBXDJXTZLQ-INIZCTEOSA-N 2 3 280.460 0.650 20 0 CCADHP CN(C)CCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444126 811600659 /nfs/dbraw/zinc/60/06/59/811600659.db2.gz CDJXYYLOYNXIOJ-ZIAGYGMSSA-N 2 3 282.432 0.256 20 0 CCADHP N[C@@H](CCC[NH3+])Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001170899002 839544681 /nfs/dbraw/zinc/54/46/81/839544681.db2.gz GLQCOHXYDOUYHW-OAHLLOKOSA-N 2 3 277.416 0.527 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001339226940 921688041 /nfs/dbraw/zinc/68/80/41/921688041.db2.gz YBHWAHDHQNDAGR-UPJWGTAASA-N 2 3 268.405 0.043 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001334339657 919509196 /nfs/dbraw/zinc/50/91/96/919509196.db2.gz XQJHWHZNAJRDAB-STQMWFEESA-N 2 3 253.390 0.568 20 0 CCADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000568392531 358670506 /nfs/dbraw/zinc/67/05/06/358670506.db2.gz HJGUZAHMHGWXSM-GLQYFDAESA-N 2 3 263.385 0.987 20 0 CCADHP [NH3+]CCOCCN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571087735 358911007 /nfs/dbraw/zinc/91/10/07/358911007.db2.gz HAJPVJQAAQVFSX-ZIAGYGMSSA-N 2 3 271.405 0.180 20 0 CCADHP C[C@@H](C[C@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786352 296002111 /nfs/dbraw/zinc/00/21/11/296002111.db2.gz ATYXFRUJAPDNDY-UONOGXRCSA-N 2 3 254.422 0.402 20 0 CCADHP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563601164 291240803 /nfs/dbraw/zinc/24/08/03/291240803.db2.gz MIPKBIQGRITAOH-KGLIPLIRSA-N 2 3 299.463 0.119 20 0 CCADHP C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627199162 368867336 /nfs/dbraw/zinc/86/73/36/368867336.db2.gz SACFBYJIJCSTJP-UONOGXRCSA-N 2 3 299.463 0.262 20 0 CCADHP C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC[NH2+]1 ZINC000516432957 249163111 /nfs/dbraw/zinc/16/31/11/249163111.db2.gz VCQNPIRJRMCQFO-KGLIPLIRSA-N 2 3 299.463 0.262 20 0 CCADHP C(CN[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CN1CC[NH2+]CC1 ZINC000414787857 389638236 /nfs/dbraw/zinc/63/82/36/389638236.db2.gz CVIDEGKSCAINOI-JYJNAYRXSA-N 2 3 280.460 0.792 20 0 CCADHP CC[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000414888024 389644026 /nfs/dbraw/zinc/64/40/26/389644026.db2.gz RPVVRJHWXLTDTN-KGLIPLIRSA-N 2 3 254.422 0.212 20 0 CCADHP CC[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000414888024 389644029 /nfs/dbraw/zinc/64/40/29/389644029.db2.gz RPVVRJHWXLTDTN-KGLIPLIRSA-N 2 3 254.422 0.212 20 0 CCADHP C(C[NH+]1CCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346839598 533359489 /nfs/dbraw/zinc/35/94/89/533359489.db2.gz YQOWXRSVLGDPOR-UHFFFAOYSA-N 2 3 280.460 0.699 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@@H]2CC[NH2+]C2)C1 ZINC000652360597 412037586 /nfs/dbraw/zinc/03/75/86/412037586.db2.gz MGNZBTGTZOVNLD-TUVASFSCSA-N 2 3 267.417 0.957 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCCC1 ZINC000659573014 413667645 /nfs/dbraw/zinc/66/76/45/413667645.db2.gz LINLCLVYDAIWIW-UHFFFAOYSA-N 2 3 299.463 0.393 20 0 CCADHP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662273047 414703815 /nfs/dbraw/zinc/70/38/15/414703815.db2.gz RJMMQWAOUGENJB-QWHCGFSZSA-N 2 3 253.390 0.568 20 0 CCADHP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662273047 414703816 /nfs/dbraw/zinc/70/38/16/414703816.db2.gz RJMMQWAOUGENJB-QWHCGFSZSA-N 2 3 253.390 0.568 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693200 613223734 /nfs/dbraw/zinc/22/37/34/613223734.db2.gz PQIMDBBCNLTXRD-CVEARBPZSA-N 2 3 280.460 0.650 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+]CCC2(C[NH3+])CC2)cnn1C ZINC000903931564 634691232 /nfs/dbraw/zinc/69/12/32/634691232.db2.gz FGGLBCPWGAVWER-ZDUSSCGKSA-N 2 3 279.432 0.565 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+]CC[C@H]2CC[NH2+]C2)cnn1C ZINC000903915733 634695038 /nfs/dbraw/zinc/69/50/38/634695038.db2.gz BQLRRMMEHFFDAS-ZIAGYGMSSA-N 2 3 279.432 0.435 20 0 CCADHP O=C1CC[C@@H](NCCC[NH2+]C2CC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000923431332 640135869 /nfs/dbraw/zinc/13/58/69/640135869.db2.gz OSEXGLYLNQBTSA-ZBFHGGJFSA-N 2 3 294.443 0.365 20 0 CCADHP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873244277 646364720 /nfs/dbraw/zinc/36/47/20/646364720.db2.gz PXMHVMNQYYGXNP-VXGBXAGGSA-N 2 3 288.399 0.941 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848332 648466586 /nfs/dbraw/zinc/46/65/86/648466586.db2.gz FWTBKEDYZYPRKC-HZSPNIEDSA-N 2 3 295.427 0.649 20 0 CCADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001161176576 799679606 /nfs/dbraw/zinc/67/96/06/799679606.db2.gz VWPKOGIFVDVYQP-RBSFLKMASA-N 2 3 294.443 0.114 20 0 CCADHP CN(C)CCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161443474 802154028 /nfs/dbraw/zinc/15/40/28/802154028.db2.gz VRZZJAUVRFYSSK-HNNXBMFYSA-N 2 3 296.459 0.518 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705324 804089560 /nfs/dbraw/zinc/08/95/60/804089560.db2.gz NZOIAZBULGUZGW-AWEZNQCLSA-N 2 3 293.415 0.974 20 0 CCADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220062056 804491090 /nfs/dbraw/zinc/49/10/90/804491090.db2.gz LBVNETDBMCWMPV-UKRRQHHQSA-N 2 3 296.459 0.694 20 0 CCADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220062056 804491094 /nfs/dbraw/zinc/49/10/94/804491094.db2.gz LBVNETDBMCWMPV-UKRRQHHQSA-N 2 3 296.459 0.694 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060497 804725411 /nfs/dbraw/zinc/72/54/11/804725411.db2.gz CHYRPLNLYPXEKA-ZDUSSCGKSA-N 2 3 282.363 0.574 20 0 CCADHP N[C@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C1CC[NH2+]CC1 ZINC001221248522 804757559 /nfs/dbraw/zinc/75/75/59/804757559.db2.gz ZNHJBABRGNBROX-GOEBONIOSA-N 2 3 294.443 0.352 20 0 CCADHP CC(C)N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(C)(C)C[NH3+] ZINC001221394043 804798640 /nfs/dbraw/zinc/79/86/40/804798640.db2.gz GYFKOJZPBMJSMD-ZDUSSCGKSA-N 2 3 296.459 0.835 20 0 CCADHP CC(C)N(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(C)(C)C[NH3+] ZINC001221394043 804798646 /nfs/dbraw/zinc/79/86/46/804798646.db2.gz GYFKOJZPBMJSMD-ZDUSSCGKSA-N 2 3 296.459 0.835 20 0 CCADHP [NH3+]CCCCCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492325 804906574 /nfs/dbraw/zinc/90/65/74/804906574.db2.gz RZNVDRXRJAJTMS-KBPBESRZSA-N 2 3 254.422 0.531 20 0 CCADHP OC1(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)C[NH2+]C1 ZINC001246117495 807158606 /nfs/dbraw/zinc/15/86/06/807158606.db2.gz JCHKBXDKKFFWEV-CVEARBPZSA-N 2 3 289.423 0.664 20 0 CCADHP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246147457 807167930 /nfs/dbraw/zinc/16/79/30/807167930.db2.gz KTAGUUIVPXJBJC-YIYPIFLZSA-N 2 3 253.390 0.628 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)C[NH2+]1 ZINC001246151068 807168562 /nfs/dbraw/zinc/16/85/62/807168562.db2.gz OFIIVIZXUJRMEX-MBJXGIAVSA-N 2 3 253.390 0.484 20 0 CCADHP CN1CCC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246214672 807188651 /nfs/dbraw/zinc/18/86/51/807188651.db2.gz KDSZBHYLYYGHOZ-ZDUSSCGKSA-N 2 3 266.433 0.497 20 0 CCADHP CC(C)[C@@H]1C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545942 807280106 /nfs/dbraw/zinc/28/01/06/807280106.db2.gz XQXJRXXXHIQNDY-ILXRZTDVSA-N 2 3 269.433 0.939 20 0 CCADHP C[C@@H]1CC[C@@H](CN)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588863 807308832 /nfs/dbraw/zinc/30/88/32/807308832.db2.gz BCVFBYQPAQYEBU-AGIUHOORSA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1CC[C@@H](CN)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588863 807308841 /nfs/dbraw/zinc/30/88/41/807308841.db2.gz BCVFBYQPAQYEBU-AGIUHOORSA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1CC[C@@H](N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)C[NH2+]1 ZINC001246749693 807369964 /nfs/dbraw/zinc/36/99/64/807369964.db2.gz SHOYFHDNCNIWPG-LVQVYYBASA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1CC[C@@H](N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)C[NH2+]1 ZINC001246749693 807369972 /nfs/dbraw/zinc/36/99/72/807369972.db2.gz SHOYFHDNCNIWPG-LVQVYYBASA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1CC[C@@H](N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749693 807369980 /nfs/dbraw/zinc/36/99/80/807369980.db2.gz SHOYFHDNCNIWPG-LVQVYYBASA-N 2 3 280.460 0.837 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)CN3CCCC3)C[C@@H]21 ZINC000382234113 811191842 /nfs/dbraw/zinc/19/18/42/811191842.db2.gz VWAOYEKVTZHJLX-CBBWQLFWSA-N 2 3 267.417 0.502 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CN3CCCC3)C[C@@H]21 ZINC000382234113 811191847 /nfs/dbraw/zinc/19/18/47/811191847.db2.gz VWAOYEKVTZHJLX-CBBWQLFWSA-N 2 3 267.417 0.502 20 0 CCADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221371684 811768119 /nfs/dbraw/zinc/76/81/19/811768119.db2.gz HZRZRENLIBXUMY-LBPRGKRZSA-N 2 3 282.432 0.209 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH2+]CC2)CCN1 ZINC001246112975 839622511 /nfs/dbraw/zinc/62/25/11/839622511.db2.gz HEQLOXSFVTYFEN-CHWSQXEVSA-N 2 3 255.406 0.875 20 0 CCADHP CCOC(=O)C[C@@H]([NH2+]C1CCNCC1)C1CC[NH2+]CC1 ZINC001246225521 839698885 /nfs/dbraw/zinc/69/88/85/839698885.db2.gz DRAXTCYGLBTVLD-CQSZACIVSA-N 2 3 283.416 0.649 20 0 CCADHP [NH3+]C[C@]1(O)CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246545215 839959518 /nfs/dbraw/zinc/95/95/18/839959518.db2.gz UXHXGZUKLUSVLS-CRWXNKLISA-N 2 3 253.390 0.445 20 0 CCADHP N[C@@H]1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1O ZINC001246556026 840004214 /nfs/dbraw/zinc/00/42/14/840004214.db2.gz AGBWTVMVHVTZME-ZIAGYGMSSA-N 2 3 267.417 0.693 20 0 CCADHP N[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1O ZINC001246556026 840004222 /nfs/dbraw/zinc/00/42/22/840004222.db2.gz AGBWTVMVHVTZME-ZIAGYGMSSA-N 2 3 267.417 0.693 20 0 CCADHP [NH3+][C@@H]1CCN(C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1O ZINC001246556026 840004227 /nfs/dbraw/zinc/00/42/27/840004227.db2.gz AGBWTVMVHVTZME-ZIAGYGMSSA-N 2 3 267.417 0.693 20 0 CCADHP C(CN1CCC(C[NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000062031694 348662529 /nfs/dbraw/zinc/66/25/29/348662529.db2.gz KQQVAHSZAXIQOQ-UHFFFAOYSA-N 2 3 280.460 0.699 20 0 CCADHP C[C@@H]1C[NH2+]CC[C@@H]1C[NH+]1CCC(NCCO)CC1 ZINC000635001945 372337604 /nfs/dbraw/zinc/33/76/04/372337604.db2.gz GBMIVPSMPPIAMS-CHWSQXEVSA-N 2 3 255.406 0.278 20 0 CCADHP C[C@@H]1C[NH2+]CC[C@@H]1CN1CCC([NH2+]CCO)CC1 ZINC000635001945 372337614 /nfs/dbraw/zinc/33/76/14/372337614.db2.gz GBMIVPSMPPIAMS-CHWSQXEVSA-N 2 3 255.406 0.278 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC000635503202 372566817 /nfs/dbraw/zinc/56/68/17/372566817.db2.gz PHUJEQOLYSOJQQ-UHFFFAOYSA-N 2 3 284.448 0.280 20 0 CCADHP CC[NH+](CC)CCOCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423040490 389525056 /nfs/dbraw/zinc/52/50/56/389525056.db2.gz UHQCASGTWRJMFL-RBSFLKMASA-N 2 3 287.448 0.687 20 0 CCADHP CCOC(=O)C1([C@@H](C)NC[C@H](C)C[NH2+]C)CC[NH2+]CC1 ZINC000423267814 389558296 /nfs/dbraw/zinc/55/82/96/389558296.db2.gz FGWVKBSGCWWMBM-CHWSQXEVSA-N 2 3 285.432 0.753 20 0 CCADHP C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196196 390228057 /nfs/dbraw/zinc/22/80/57/390228057.db2.gz ACJRRLWRZOCVSF-LSDHHAIUSA-N 2 3 266.433 0.213 20 0 CCADHP C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196196 390228060 /nfs/dbraw/zinc/22/80/60/390228060.db2.gz ACJRRLWRZOCVSF-LSDHHAIUSA-N 2 3 266.433 0.213 20 0 CCADHP CN1CC[NH+](CC2(C)CCN(C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000647989999 390239876 /nfs/dbraw/zinc/23/98/76/390239876.db2.gz OHOROPXLXSXNJF-MRXNPFEDSA-N 2 3 294.487 0.945 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000582231359 390271008 /nfs/dbraw/zinc/27/10/08/390271008.db2.gz LYVHJQOFZUXGBW-AWEZNQCLSA-N 2 3 299.463 0.121 20 0 CCADHP NC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000517743060 390491208 /nfs/dbraw/zinc/49/12/08/390491208.db2.gz YKFFRASYYRFHPQ-AWEZNQCLSA-N 2 3 267.417 0.673 20 0 CCADHP NC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000517743060 390491212 /nfs/dbraw/zinc/49/12/12/390491212.db2.gz YKFFRASYYRFHPQ-AWEZNQCLSA-N 2 3 267.417 0.673 20 0 CCADHP OCC1(NCCCC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000662284604 414706178 /nfs/dbraw/zinc/70/61/78/414706178.db2.gz NSIMHZPCQNRMLE-UHFFFAOYSA-N 2 3 255.406 0.470 20 0 CCADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423192064 295267439 /nfs/dbraw/zinc/26/74/39/295267439.db2.gz VHOHMIHGBLMJJI-KGLIPLIRSA-N 2 3 254.422 0.389 20 0 CCADHP [NH3+]CCOCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420378974 303383795 /nfs/dbraw/zinc/38/37/95/303383795.db2.gz UUYZTCVVBXJKJG-DZGCQCFKSA-N 2 3 267.417 0.910 20 0 CCADHP [NH3+]CCOCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420378974 303383796 /nfs/dbraw/zinc/38/37/96/303383796.db2.gz UUYZTCVVBXJKJG-DZGCQCFKSA-N 2 3 267.417 0.910 20 0 CCADHP C[C@@H]1C[C@H](CN2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000584113476 327040425 /nfs/dbraw/zinc/04/04/25/327040425.db2.gz SZQLIEYCBFETTD-RBSFLKMASA-N 2 3 266.433 0.354 20 0 CCADHP C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354955 613231285 /nfs/dbraw/zinc/23/12/85/613231285.db2.gz XNEVUEXGEKCRIH-NPYXIHBLSA-N 2 3 292.471 0.887 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782401 614853711 /nfs/dbraw/zinc/85/37/11/614853711.db2.gz MKLXVEXWQMVJQQ-NMKXLXIOSA-N 2 3 253.390 0.470 20 0 CCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782401 614853714 /nfs/dbraw/zinc/85/37/14/614853714.db2.gz MKLXVEXWQMVJQQ-NMKXLXIOSA-N 2 3 253.390 0.470 20 0 CCADHP C[NH2+]CCOCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718113 616968638 /nfs/dbraw/zinc/96/86/38/616968638.db2.gz GRMORUVPGYGADJ-HUUCEWRRSA-N 2 3 269.433 0.980 20 0 CCADHP [NH3+]CCOCCN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813194 634657098 /nfs/dbraw/zinc/65/70/98/634657098.db2.gz YREZTPIMTUUJLF-ZDUSSCGKSA-N 2 3 255.406 0.945 20 0 CCADHP C[C@@H]1C[C@H](C)N(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923383534 640114196 /nfs/dbraw/zinc/11/41/96/640114196.db2.gz UASDDMLQFYOPFG-RQJABVFESA-N 2 3 267.417 0.670 20 0 CCADHP C[C@@H]1C[C@H](C)N(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923383539 640114466 /nfs/dbraw/zinc/11/44/66/640114466.db2.gz UASDDMLQFYOPFG-ZOBORPQBSA-N 2 3 267.417 0.670 20 0 CCADHP C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)CN1CCCC1 ZINC001246097728 807152701 /nfs/dbraw/zinc/15/27/01/807152701.db2.gz MGNCPNRMNVURAM-ZDUSSCGKSA-N 2 3 252.406 0.156 20 0 CCADHP C[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001157798487 801487795 /nfs/dbraw/zinc/48/77/95/801487795.db2.gz CUGZUHIIRMZJPX-AGIUHOORSA-N 2 3 270.421 0.241 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158425614 801645374 /nfs/dbraw/zinc/64/53/74/801645374.db2.gz XOJPIFNUVYFYQO-YNEHKIRRSA-N 2 3 268.405 0.008 20 0 CCADHP C[NH+]1CCC2(CCN(C(=O)[C@H](N)CCC[NH3+])CC2)CC1 ZINC001160993559 802058170 /nfs/dbraw/zinc/05/81/70/802058170.db2.gz WLNAWOWFNJCPGA-CYBMUJFWSA-N 2 3 282.432 0.387 20 0 CCADHP CN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060737 802080084 /nfs/dbraw/zinc/08/00/84/802080084.db2.gz CSJJPBXRRQPPEV-JHJVBQTASA-N 2 3 268.405 0.042 20 0 CCADHP CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C1(C)CC[NH2+]CC1 ZINC001161066596 802081696 /nfs/dbraw/zinc/08/16/96/802081696.db2.gz BNQASEZQHNRVDP-CYBMUJFWSA-N 2 3 294.443 0.461 20 0 CCADHP CN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001161066596 802081703 /nfs/dbraw/zinc/08/17/03/802081703.db2.gz BNQASEZQHNRVDP-CYBMUJFWSA-N 2 3 294.443 0.461 20 0 CCADHP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447737 802155198 /nfs/dbraw/zinc/15/51/98/802155198.db2.gz ZACAVDWPJHZVMT-RRFJBIMHSA-N 2 3 298.475 0.763 20 0 CCADHP N[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)C1CC[NH2+]CC1 ZINC001219954784 804458165 /nfs/dbraw/zinc/45/81/65/804458165.db2.gz RRDBGNAVQBVDGI-OAHLLOKOSA-N 2 3 296.459 0.742 20 0 CCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220332829 804575949 /nfs/dbraw/zinc/57/59/49/804575949.db2.gz QBPRCESGSSNMCQ-KGLIPLIRSA-N 2 3 294.443 0.032 20 0 CCADHP C[C@@H](CNC(=O)[C@H](N)CCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220763537 804662177 /nfs/dbraw/zinc/66/21/77/804662177.db2.gz FSHGAYYBGSVQFV-VXGBXAGGSA-N 2 3 272.437 0.570 20 0 CCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCc1c[nH]c2ccncc12 ZINC001220865568 804684210 /nfs/dbraw/zinc/68/42/10/804684210.db2.gz BRHFQDUPQDGGMO-ZDUSSCGKSA-N 2 3 289.383 0.678 20 0 CCADHP O[C@@]1(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCCNC1 ZINC001246033921 807128494 /nfs/dbraw/zinc/12/84/94/807128494.db2.gz OILVTXWDXSHJEP-CVEARBPZSA-N 2 3 281.444 0.955 20 0 CCADHP O[C@@]1(CN2CCC([C@H]3CCCC[NH2+]3)CC2)CCC[NH2+]C1 ZINC001246033921 807128498 /nfs/dbraw/zinc/12/84/98/807128498.db2.gz OILVTXWDXSHJEP-CVEARBPZSA-N 2 3 281.444 0.955 20 0 CCADHP C1[NH2+]C[C@H]2OC[C@@H](NC3CCC4(CC[NH2+]CC4)CC3)[C@@H]12 ZINC001246139478 807164005 /nfs/dbraw/zinc/16/40/05/807164005.db2.gz URPNICBDWWMKLR-RBSFLKMASA-N 2 3 279.428 0.875 20 0 CCADHP c1cc2n(c1)C[C@@H](CCN[C@@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246141265 807165401 /nfs/dbraw/zinc/16/54/01/807165401.db2.gz POYCEZPYLFQLIM-UONOGXRCSA-N 2 3 262.401 0.939 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246152094 807169175 /nfs/dbraw/zinc/16/91/75/807169175.db2.gz WSFPNOIMYYIBFE-RPKKEITRSA-N 2 3 265.401 0.484 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246156232 807171263 /nfs/dbraw/zinc/17/12/63/807171263.db2.gz KGIREKFRQUTVDX-IKOXMDCHSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246156232 807171266 /nfs/dbraw/zinc/17/12/66/807171266.db2.gz KGIREKFRQUTVDX-IKOXMDCHSA-N 2 3 253.390 0.341 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CN(C1CCC3(CC[NH2+]CC3)CC1)CCN2 ZINC001246640746 807340604 /nfs/dbraw/zinc/34/06/04/807340604.db2.gz HECNWQIEHMTSIC-QGZVFWFLSA-N 2 3 292.471 0.936 20 0 CCADHP CN(CC[NH3+])CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255672047 808419813 /nfs/dbraw/zinc/41/98/13/808419813.db2.gz WICLVOMUEHDEHX-AGUYFDCRSA-N 2 3 254.422 0.482 20 0 CCADHP CN(CC[NH3+])CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255672047 808419816 /nfs/dbraw/zinc/41/98/16/808419816.db2.gz WICLVOMUEHDEHX-AGUYFDCRSA-N 2 3 254.422 0.482 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161446661 811635627 /nfs/dbraw/zinc/63/56/27/811635627.db2.gz TWTGWOFKNXZVHY-ZNMIVQPWSA-N 2 3 296.459 0.517 20 0 CCADHP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(n1)CNCC2 ZINC001167879201 812387433 /nfs/dbraw/zinc/38/74/33/812387433.db2.gz ZIQFIGDPYAHKTO-UHFFFAOYSA-N 2 3 262.361 0.402 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246544628 839950311 /nfs/dbraw/zinc/95/03/11/839950311.db2.gz RLFACZYJYIPUDW-ZFWWWQNUSA-N 2 3 267.417 0.837 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246544628 839950322 /nfs/dbraw/zinc/95/03/22/839950322.db2.gz RLFACZYJYIPUDW-ZFWWWQNUSA-N 2 3 267.417 0.837 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000569576599 358774762 /nfs/dbraw/zinc/77/47/62/358774762.db2.gz CAUKNAUXBVPKBJ-KBPBESRZSA-N 2 3 282.432 0.245 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000569576599 358774764 /nfs/dbraw/zinc/77/47/64/358774764.db2.gz CAUKNAUXBVPKBJ-KBPBESRZSA-N 2 3 282.432 0.245 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000569576601 358775118 /nfs/dbraw/zinc/77/51/18/358775118.db2.gz CAUKNAUXBVPKBJ-UONOGXRCSA-N 2 3 282.432 0.245 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000569576601 358775121 /nfs/dbraw/zinc/77/51/21/358775121.db2.gz CAUKNAUXBVPKBJ-UONOGXRCSA-N 2 3 282.432 0.245 20 0 CCADHP C[NH2+]CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000629530697 369691923 /nfs/dbraw/zinc/69/19/23/369691923.db2.gz NOMFGCSURHYXTL-MCIONIFRSA-N 2 3 255.406 0.685 20 0 CCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C ZINC000418317894 285244218 /nfs/dbraw/zinc/24/42/18/285244218.db2.gz NOYHHVGRCQNICD-CQSZACIVSA-N 2 3 299.463 0.263 20 0 CCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C ZINC000418317894 285244219 /nfs/dbraw/zinc/24/42/19/285244219.db2.gz NOYHHVGRCQNICD-CQSZACIVSA-N 2 3 299.463 0.263 20 0 CCADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000422982604 389517001 /nfs/dbraw/zinc/51/70/01/389517001.db2.gz XCCTXWMAJLAMLA-RRFJBIMHSA-N 2 3 269.433 0.940 20 0 CCADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000422982604 389517003 /nfs/dbraw/zinc/51/70/03/389517003.db2.gz XCCTXWMAJLAMLA-RRFJBIMHSA-N 2 3 269.433 0.940 20 0 CCADHP CN1CCCN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793262 390172812 /nfs/dbraw/zinc/17/28/12/390172812.db2.gz QYDVQSRXMLQENL-GVDBMIGSSA-N 2 3 294.487 0.992 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000580074200 390217826 /nfs/dbraw/zinc/21/78/26/390217826.db2.gz IJTXYNIREZSZAL-BARDWOONSA-N 2 3 294.443 0.243 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000580074200 390217828 /nfs/dbraw/zinc/21/78/28/390217828.db2.gz IJTXYNIREZSZAL-BARDWOONSA-N 2 3 294.443 0.243 20 0 CCADHP COCC1(CN[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]CC1 ZINC000647547160 390839084 /nfs/dbraw/zinc/83/90/84/390839084.db2.gz PLOBDKCXIQLBPR-OLZOCXBDSA-N 2 3 255.406 0.590 20 0 CCADHP O[C@H](CN1CCC2(CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000903749374 634636346 /nfs/dbraw/zinc/63/63/46/634636346.db2.gz JTUZUIGWDWGDRK-AWEZNQCLSA-N 2 3 267.417 0.519 20 0 CCADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903763248 634641091 /nfs/dbraw/zinc/64/10/91/634641091.db2.gz JBROUZADPXTBSM-DGAVXFQQSA-N 2 3 253.390 0.615 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000843119956 643002295 /nfs/dbraw/zinc/00/22/95/643002295.db2.gz QJGIKLZWOZSFKC-AWEZNQCLSA-N 2 3 294.443 0.259 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000843119956 643002305 /nfs/dbraw/zinc/00/23/05/643002305.db2.gz QJGIKLZWOZSFKC-AWEZNQCLSA-N 2 3 294.443 0.259 20 0 CCADHP C[C@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000925811903 648463322 /nfs/dbraw/zinc/46/33/22/648463322.db2.gz UKQMDSYJEZQWBN-GXTWGEPZSA-N 2 3 254.422 0.482 20 0 CCADHP C[C@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1C ZINC000925811903 648463325 /nfs/dbraw/zinc/46/33/25/648463325.db2.gz UKQMDSYJEZQWBN-GXTWGEPZSA-N 2 3 254.422 0.482 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160921 801578721 /nfs/dbraw/zinc/57/87/21/801578721.db2.gz LSALFPHGZPRLAK-HOCLYGCPSA-N 2 3 296.459 0.790 20 0 CCADHP CC(C)N(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC001161352127 802136133 /nfs/dbraw/zinc/13/61/33/802136133.db2.gz RTGPCBHVPCMRCG-KBPBESRZSA-N 2 3 284.448 0.645 20 0 CCADHP CN(C)CCN(C(=O)C=C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161448513 802155774 /nfs/dbraw/zinc/15/57/74/802155774.db2.gz DMCODZXFZGWOGJ-HNNXBMFYSA-N 2 3 294.443 0.438 20 0 CCADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161489366 802162155 /nfs/dbraw/zinc/16/21/55/802162155.db2.gz LUJBPBJQVOFTAD-ZFWWWQNUSA-N 2 3 294.443 0.448 20 0 CCADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161489366 802162159 /nfs/dbraw/zinc/16/21/59/802162159.db2.gz LUJBPBJQVOFTAD-ZFWWWQNUSA-N 2 3 294.443 0.448 20 0 CCADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161489364 802162883 /nfs/dbraw/zinc/16/28/83/802162883.db2.gz LUJBPBJQVOFTAD-HIFRSBDPSA-N 2 3 294.443 0.448 20 0 CCADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161489364 802162886 /nfs/dbraw/zinc/16/28/86/802162886.db2.gz LUJBPBJQVOFTAD-HIFRSBDPSA-N 2 3 294.443 0.448 20 0 CCADHP [NH3+]Cc1cccc(CN2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205726619 803167799 /nfs/dbraw/zinc/16/77/99/803167799.db2.gz VJQSAULLCGIIGV-OAHLLOKOSA-N 2 3 263.385 0.821 20 0 CCADHP C[NH+](C)CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207391709 803391981 /nfs/dbraw/zinc/39/19/81/803391981.db2.gz NGGAQRUJXRVCJW-UHFFFAOYSA-N 2 3 268.449 0.507 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704775 804090547 /nfs/dbraw/zinc/09/05/47/804090547.db2.gz ARWRDASKUMTQGG-ZDUSSCGKSA-N 2 3 279.388 0.538 20 0 CCADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710472 804091558 /nfs/dbraw/zinc/09/15/58/804091558.db2.gz GGJJRJBPSYMGBA-QWRGUYRKSA-N 2 3 295.387 0.884 20 0 CCADHP C[C@H](CNC(=O)[C@@H]1C[NH2+]CC12CNC2)CC(C)(C)CC[NH3+] ZINC001220763403 804661962 /nfs/dbraw/zinc/66/19/62/804661962.db2.gz AODWANPKPUJYJE-STQMWFEESA-N 2 3 296.459 0.313 20 0 CCADHP C[C@@H](CNC(=O)[C@H](N)C1CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001220765843 804663595 /nfs/dbraw/zinc/66/35/95/804663595.db2.gz GNRRTWBJTQYAQJ-TZMCWYRMSA-N 2 3 298.475 0.831 20 0 CCADHP N[C@@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)C1CC[NH2+]CC1 ZINC001220779343 804665880 /nfs/dbraw/zinc/66/58/80/804665880.db2.gz RPHJBFNWFADUKW-YUELXQCFSA-N 2 3 280.416 0.234 20 0 CCADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220857728 804682959 /nfs/dbraw/zinc/68/29/59/804682959.db2.gz PTZWHKNZFYOIIF-NEPJUHHUSA-N 2 3 282.432 0.350 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@]1(C)CCCN(C)C1 ZINC001221241690 804755803 /nfs/dbraw/zinc/75/58/03/804755803.db2.gz XMPXBZXODUZFKK-JSGCOSHPSA-N 2 3 270.421 0.304 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248162 804757794 /nfs/dbraw/zinc/75/77/94/804757794.db2.gz LMGZLVNZMXVCQW-DZGCQCFKSA-N 2 3 282.432 0.481 20 0 CCADHP CC[NH+](CC)C[C@@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245986914 807108477 /nfs/dbraw/zinc/10/84/77/807108477.db2.gz QWXMVBMMVUVTNT-GJZGRUSLSA-N 2 3 298.475 0.153 20 0 CCADHP C[C@@H]1CC[C@H](N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246147679 807167740 /nfs/dbraw/zinc/16/77/40/807167740.db2.gz MBLCKIVQTZKQCW-ZOBORPQBSA-N 2 3 253.390 0.628 20 0 CCADHP [NH3+]C1(CC2CC2)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246376640 807238539 /nfs/dbraw/zinc/23/85/39/807238539.db2.gz MVHIWQVITRJNMH-CQSZACIVSA-N 2 3 278.444 0.674 20 0 CCADHP C[C@@H]1CC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246546324 807280362 /nfs/dbraw/zinc/28/03/62/807280362.db2.gz ZQFADWSQXJNYRQ-YRGRVCCFSA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1CC([N@H+]2CCC[C@](O)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246546324 807280366 /nfs/dbraw/zinc/28/03/66/807280366.db2.gz ZQFADWSQXJNYRQ-YRGRVCCFSA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1CC(N2CCC[C@](O)(C[NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246546324 807280372 /nfs/dbraw/zinc/28/03/72/807280372.db2.gz ZQFADWSQXJNYRQ-YRGRVCCFSA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246546321 807281290 /nfs/dbraw/zinc/28/12/90/807281290.db2.gz ZQFADWSQXJNYRQ-CRWXNKLISA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C[C@H](C)N1 ZINC001246546321 807281292 /nfs/dbraw/zinc/28/12/92/807281292.db2.gz ZQFADWSQXJNYRQ-CRWXNKLISA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246546321 807281296 /nfs/dbraw/zinc/28/12/96/807281296.db2.gz ZQFADWSQXJNYRQ-CRWXNKLISA-N 2 3 255.406 0.691 20 0 CCADHP C1[NH2+]CC12CC[C@H]([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620445 807328949 /nfs/dbraw/zinc/32/89/49/807328949.db2.gz YKQHXILVHASOCD-IHRRRGAJSA-N 2 3 264.417 0.154 20 0 CCADHP C1[NH2+]CC12CC[C@H]([N@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620445 807328958 /nfs/dbraw/zinc/32/89/58/807328958.db2.gz YKQHXILVHASOCD-IHRRRGAJSA-N 2 3 264.417 0.154 20 0 CCADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010530 807453296 /nfs/dbraw/zinc/45/32/96/807453296.db2.gz WICWRJYPNWHZBC-MJBXVCDLSA-N 2 3 295.427 0.602 20 0 CCADHP C[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220766962 811743711 /nfs/dbraw/zinc/74/37/11/811743711.db2.gz YWHWHCXYXXCKPF-OLZOCXBDSA-N 2 3 286.464 0.960 20 0 CCADHP C[C@H](CNC(=O)[C@@H](N)CCCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220766963 811744633 /nfs/dbraw/zinc/74/46/33/811744633.db2.gz YWHWHCXYXXCKPF-STQMWFEESA-N 2 3 286.464 0.960 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246544612 839950772 /nfs/dbraw/zinc/95/07/72/839950772.db2.gz RLFACZYJYIPUDW-DZGCQCFKSA-N 2 3 267.417 0.837 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246544612 839950778 /nfs/dbraw/zinc/95/07/78/839950778.db2.gz RLFACZYJYIPUDW-DZGCQCFKSA-N 2 3 267.417 0.837 20 0 CCADHP [NH3+]C[C@@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246545218 839959488 /nfs/dbraw/zinc/95/94/88/839959488.db2.gz UXHXGZUKLUSVLS-QNMSZWNNSA-N 2 3 253.390 0.445 20 0 CCADHP [NH3+]C[C@@]1(O)CCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246548453 839978697 /nfs/dbraw/zinc/97/86/97/839978697.db2.gz GMVRYSCHCFNUQU-QNMSZWNNSA-N 2 3 251.374 0.221 20 0 CCADHP [NH3+]C[C@]1(O)CCCCN([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246560734 840025478 /nfs/dbraw/zinc/02/54/78/840025478.db2.gz PGWJXBBFRSDRKY-VXGBXAGGSA-N 2 3 271.430 0.010 20 0 CCADHP C[C@@H]1CC[N@@H+]([C@H]2CCOC3(CNC3)C2)CC[C@H]1C[NH3+] ZINC001246563647 840033087 /nfs/dbraw/zinc/03/30/87/840033087.db2.gz XLWMOFVQPGDDGD-RDBSUJKOSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1CC[N@H+]([C@H]2CCOC3(CNC3)C2)CC[C@H]1C[NH3+] ZINC001246563647 840033096 /nfs/dbraw/zinc/03/30/96/840033096.db2.gz XLWMOFVQPGDDGD-RDBSUJKOSA-N 2 3 267.417 0.814 20 0 CCADHP CN(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273712191 846684973 /nfs/dbraw/zinc/68/49/73/846684973.db2.gz QTOIXYWUNVQZJA-HUUCEWRRSA-N 2 3 296.459 0.565 20 0 CCADHP CN(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273712191 846684982 /nfs/dbraw/zinc/68/49/82/846684982.db2.gz QTOIXYWUNVQZJA-HUUCEWRRSA-N 2 3 296.459 0.565 20 0 CCADHP NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC001120269195 857025104 /nfs/dbraw/zinc/02/51/04/857025104.db2.gz OHBCRJZSOSRFEZ-GXTWGEPZSA-N 2 3 254.422 0.517 20 0 CCADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC001120269197 857025130 /nfs/dbraw/zinc/02/51/30/857025130.db2.gz OHBCRJZSOSRFEZ-JSGCOSHPSA-N 2 3 254.422 0.517 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2(CN)CC2)CC1 ZINC001333690791 919104809 /nfs/dbraw/zinc/10/48/09/919104809.db2.gz FKBZHRUVSWFSFK-UHFFFAOYSA-N 2 3 282.432 0.306 20 0 CCADHP CN1CC[C@H]([NH2+]CCOCCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000629540605 369697612 /nfs/dbraw/zinc/69/76/12/369697612.db2.gz VFTKTAVFRMUBCF-RDBSUJKOSA-N 2 3 255.406 0.814 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000634733503 372177975 /nfs/dbraw/zinc/17/79/75/372177975.db2.gz HAXOIVDMCFZMHE-ZIAGYGMSSA-N 2 3 296.459 0.552 20 0 CCADHP C[C@@H]1C[C@@H](CN2CCC([NH2+]CCO)CC2)CC[NH2+]1 ZINC000635001772 372338205 /nfs/dbraw/zinc/33/82/05/372338205.db2.gz CIZNIKQZKBMVCZ-OLZOCXBDSA-N 2 3 255.406 0.421 20 0 CCADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006435 372340099 /nfs/dbraw/zinc/34/00/99/372340099.db2.gz RGUOIAYRFYCQMB-HTVCTNPSSA-N 2 3 255.406 0.846 20 0 CCADHP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422739519 389464022 /nfs/dbraw/zinc/46/40/22/389464022.db2.gz LOYKARXOTLGTGD-CVEARBPZSA-N 2 3 282.476 0.977 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579363214 390166881 /nfs/dbraw/zinc/16/68/81/390166881.db2.gz IREFALYTBNYSPY-MJBXVCDLSA-N 2 3 255.406 0.278 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579363214 390166883 /nfs/dbraw/zinc/16/68/83/390166883.db2.gz IREFALYTBNYSPY-MJBXVCDLSA-N 2 3 255.406 0.278 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579363214 390166885 /nfs/dbraw/zinc/16/68/85/390166885.db2.gz IREFALYTBNYSPY-MJBXVCDLSA-N 2 3 255.406 0.278 20 0 CCADHP CN1CCN(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1(C)C ZINC000647796894 390174582 /nfs/dbraw/zinc/17/45/82/390174582.db2.gz QTOJOQDCRUMAFX-ARFHVFGLSA-N 2 3 294.487 0.990 20 0 CCADHP CC[NH2+]CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000584232778 327071629 /nfs/dbraw/zinc/07/16/29/327071629.db2.gz WEMKELMVWNLZPI-UHFFFAOYSA-N 2 3 254.422 0.213 20 0 CCADHP COCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC[NH2+]CC1 ZINC000577005169 335277822 /nfs/dbraw/zinc/27/78/22/335277822.db2.gz RAJCEQCNZRUAMN-QWHCGFSZSA-N 2 3 255.406 0.862 20 0 CCADHP C[C@H](CCN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000676249377 545338608 /nfs/dbraw/zinc/33/86/08/545338608.db2.gz DHUMWRWKJCISMR-IBEHDNSVSA-N 2 3 278.444 0.067 20 0 CCADHP CC1(C)C[NH2+]CC[C@H](NCCN2CC[NH2+]CC2)C1 ZINC000902391110 614703335 /nfs/dbraw/zinc/70/33/35/614703335.db2.gz UHLFRQRMDIBEEK-ZDUSSCGKSA-N 2 3 254.422 0.259 20 0 CCADHP CC[N@@H+]1CC[C@@H](NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000925808717 615235436 /nfs/dbraw/zinc/23/54/36/615235436.db2.gz DMEVGUZMRGYAPW-UKRRQHHQSA-N 2 3 268.449 0.729 20 0 CCADHP CC[N@H+]1CC[C@@H](NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000925808717 615235438 /nfs/dbraw/zinc/23/54/38/615235438.db2.gz DMEVGUZMRGYAPW-UKRRQHHQSA-N 2 3 268.449 0.729 20 0 CCADHP C[NH2+]CCOCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718112 616969112 /nfs/dbraw/zinc/96/91/12/616969112.db2.gz GRMORUVPGYGADJ-GJZGRUSLSA-N 2 3 269.433 0.980 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744934 634640300 /nfs/dbraw/zinc/64/03/00/634640300.db2.gz ZLEGSQVEFQGEQW-MJBXVCDLSA-N 2 3 267.417 0.814 20 0 CCADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(CC[NH3+])CC2)cnn1C ZINC000903931821 634690674 /nfs/dbraw/zinc/69/06/74/634690674.db2.gz IXVUBFUGEUNWGR-HNNXBMFYSA-N 2 3 293.459 0.907 20 0 CCADHP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978912 634700983 /nfs/dbraw/zinc/70/09/83/634700983.db2.gz ZBUQFYJXPAWUHH-MCIONIFRSA-N 2 3 292.431 0.619 20 0 CCADHP C[C@]1(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000903980260 634701280 /nfs/dbraw/zinc/70/12/80/634701280.db2.gz MEGYJSXGMHPQPB-BBWFWOEESA-N 2 3 292.471 0.887 20 0 CCADHP C[C@@]1(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[NH2+]C1 ZINC000904393203 634738810 /nfs/dbraw/zinc/73/88/10/634738810.db2.gz NATHNAFHNRJESJ-ZIAGYGMSSA-N 2 3 267.417 0.816 20 0 CCADHP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@H]1C[NH3+] ZINC000904409616 634743762 /nfs/dbraw/zinc/74/37/62/634743762.db2.gz DOEVJSYOQYMEOJ-MCIONIFRSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@H]1C[NH3+] ZINC000904409616 634743768 /nfs/dbraw/zinc/74/37/68/634743768.db2.gz DOEVJSYOQYMEOJ-MCIONIFRSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@H](NCCN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000925817664 631306782 /nfs/dbraw/zinc/30/67/82/631306782.db2.gz UYJVRSYVXYFIES-QWHCGFSZSA-N 2 3 254.422 0.387 20 0 CCADHP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873244275 646364383 /nfs/dbraw/zinc/36/43/83/646364383.db2.gz PXMHVMNQYYGXNP-NWDGAFQWSA-N 2 3 288.399 0.941 20 0 CCADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@H]21 ZINC001161084437 802086473 /nfs/dbraw/zinc/08/64/73/802086473.db2.gz YCFUSKINXBLVSU-QLFBSQMISA-N 2 3 296.459 0.598 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413781 802148074 /nfs/dbraw/zinc/14/80/74/802148074.db2.gz RHFKJFNCKJJCQX-XGUBFFRZSA-N 2 3 296.459 0.678 20 0 CCADHP C[C@@H]1C[N@H+](CC[C@H]2CNCCO2)CCC[C@@H]1C[NH3+] ZINC001205982143 803194562 /nfs/dbraw/zinc/19/45/62/803194562.db2.gz KZOUZUBIKBTZBJ-MCIONIFRSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1C[N@@H+](CC[C@H]2CNCCO2)CCC[C@@H]1C[NH3+] ZINC001205982143 803194563 /nfs/dbraw/zinc/19/45/63/803194563.db2.gz KZOUZUBIKBTZBJ-MCIONIFRSA-N 2 3 255.406 0.672 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219776252 804421693 /nfs/dbraw/zinc/42/16/93/804421693.db2.gz YXYQJOZRTBLGTR-LBPRGKRZSA-N 2 3 268.405 0.091 20 0 CCADHP C[C@H](CNC(=O)[C@H](N)CCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220763535 804661756 /nfs/dbraw/zinc/66/17/56/804661756.db2.gz FSHGAYYBGSVQFV-NWDGAFQWSA-N 2 3 272.437 0.570 20 0 CCADHP C[NH+](C)CC1CCC(NC(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001221402247 804804469 /nfs/dbraw/zinc/80/44/69/804804469.db2.gz ASZVYDNWHKSVBF-PESDSKBTSA-N 2 3 296.459 0.550 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408095 804807880 /nfs/dbraw/zinc/80/78/80/804807880.db2.gz OQXSVQZNSYPWBH-MGPQQGTHSA-N 2 3 294.443 0.030 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408095 804807888 /nfs/dbraw/zinc/80/78/88/804807888.db2.gz OQXSVQZNSYPWBH-MGPQQGTHSA-N 2 3 294.443 0.030 20 0 CCADHP C([NH2+]C1CCNCC1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246158227 807172114 /nfs/dbraw/zinc/17/21/14/807172114.db2.gz UDESWFSCCRFOAG-TZMCWYRMSA-N 2 3 253.390 0.487 20 0 CCADHP C(C1CCC1)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246446076 807252492 /nfs/dbraw/zinc/25/24/92/807252492.db2.gz KOHNBYVKEJDEMS-OAHLLOKOSA-N 2 3 292.471 0.982 20 0 CCADHP C1[NH2+]CC12C[C@H](N1CCC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246624842 807330371 /nfs/dbraw/zinc/33/03/71/807330371.db2.gz CRMJBFAFABWMKG-ZIAGYGMSSA-N 2 3 264.417 0.156 20 0 CCADHP C[C@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246630369 807334172 /nfs/dbraw/zinc/33/41/72/807334172.db2.gz JIIKVSVHABOFAP-RFQIPJPRSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@H]1C[C@@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630369 807334180 /nfs/dbraw/zinc/33/41/80/807334180.db2.gz JIIKVSVHABOFAP-RFQIPJPRSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@H]1C[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630369 807334188 /nfs/dbraw/zinc/33/41/88/807334188.db2.gz JIIKVSVHABOFAP-RFQIPJPRSA-N 2 3 253.390 0.437 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001261837184 809104053 /nfs/dbraw/zinc/10/40/53/809104053.db2.gz WVESOOSSIUWMQS-BFHYXJOUSA-N 2 3 271.405 0.099 20 0 CCADHP C[C@@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)CC[NH2+]1 ZINC001246478424 839866515 /nfs/dbraw/zinc/86/65/15/839866515.db2.gz ONDJDYLUTLZACV-ZIAGYGMSSA-N 2 3 254.422 0.483 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246544620 839950575 /nfs/dbraw/zinc/95/05/75/839950575.db2.gz RLFACZYJYIPUDW-HIFRSBDPSA-N 2 3 267.417 0.837 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246544620 839950583 /nfs/dbraw/zinc/95/05/83/839950583.db2.gz RLFACZYJYIPUDW-HIFRSBDPSA-N 2 3 267.417 0.837 20 0 CCADHP CN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060743 840686673 /nfs/dbraw/zinc/68/66/73/840686673.db2.gz CSJJPBXRRQPPEV-YNEHKIRRSA-N 2 3 268.405 0.042 20 0 CCADHP C(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607150958 363343264 /nfs/dbraw/zinc/34/32/64/363343264.db2.gz TWWUKFARPBZCGD-QAETUUGQSA-N 2 3 292.471 0.459 20 0 CCADHP C(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607150958 363343270 /nfs/dbraw/zinc/34/32/70/363343270.db2.gz TWWUKFARPBZCGD-QAETUUGQSA-N 3 3 292.471 0.459 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000569576602 358774709 /nfs/dbraw/zinc/77/47/09/358774709.db2.gz CAUKNAUXBVPKBJ-ZIAGYGMSSA-N 2 3 282.432 0.245 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000569576602 358774712 /nfs/dbraw/zinc/77/47/12/358774712.db2.gz CAUKNAUXBVPKBJ-ZIAGYGMSSA-N 2 3 282.432 0.245 20 0 CCADHP C[NH2+]CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000629530699 369691959 /nfs/dbraw/zinc/69/19/59/369691959.db2.gz NOMFGCSURHYXTL-MJBXVCDLSA-N 2 3 255.406 0.685 20 0 CCADHP C[C@@H]1C[C@H](CN2CCC([NH2+]CCO)CC2)CC[NH2+]1 ZINC000635001757 372337223 /nfs/dbraw/zinc/33/72/23/372337223.db2.gz CIZNIKQZKBMVCZ-CHWSQXEVSA-N 2 3 255.406 0.421 20 0 CCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641413704 377089405 /nfs/dbraw/zinc/08/94/05/377089405.db2.gz NCACAVCFNDOXQB-KBPBESRZSA-N 2 3 299.463 0.391 20 0 CCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641413704 377089416 /nfs/dbraw/zinc/08/94/16/377089416.db2.gz NCACAVCFNDOXQB-KBPBESRZSA-N 2 3 299.463 0.391 20 0 CCADHP CCOC(=O)C1([C@@H](C)NC[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000423283711 389559900 /nfs/dbraw/zinc/55/99/00/389559900.db2.gz XKSBSPJQKKSZJH-CHWSQXEVSA-N 2 3 285.432 0.881 20 0 CCADHP CC[N@@H+]1CC[C@H](N(C)CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000435371241 389956388 /nfs/dbraw/zinc/95/63/88/389956388.db2.gz SZIBAMJGNRDDCR-GJZGRUSLSA-N 2 3 268.449 0.554 20 0 CCADHP CC[N@H+]1CC[C@H](N(C)CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000435371241 389956391 /nfs/dbraw/zinc/95/63/91/389956391.db2.gz SZIBAMJGNRDDCR-GJZGRUSLSA-N 2 3 268.449 0.554 20 0 CCADHP C[C@@H]1CNC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548158 390839936 /nfs/dbraw/zinc/83/99/36/390839936.db2.gz WYSHJVBQZNJJDT-JWMHWRSXSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@@H]1CNC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548158 390839937 /nfs/dbraw/zinc/83/99/37/390839937.db2.gz WYSHJVBQZNJJDT-JWMHWRSXSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246956 414699323 /nfs/dbraw/zinc/69/93/23/414699323.db2.gz VQSXTECUKZOSRF-YNEHKIRRSA-N 2 3 253.390 0.567 20 0 CCADHP C[NH+](C)C1CCN(CCN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000570942378 327682524 /nfs/dbraw/zinc/68/25/24/327682524.db2.gz QIZTUYCRIWBPOK-KBPBESRZSA-N 2 3 268.449 0.872 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716591 634628003 /nfs/dbraw/zinc/62/80/03/634628003.db2.gz PXMCYIMCERHGRW-GBJTYRQASA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[N@@H+]1CCCN(C)CC1 ZINC000925609274 648446897 /nfs/dbraw/zinc/44/68/97/648446897.db2.gz RRSJZPZCDMQNDH-GJZGRUSLSA-N 2 3 268.449 0.744 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[N@H+]1CCCN(C)CC1 ZINC000925609274 648446902 /nfs/dbraw/zinc/44/69/02/648446902.db2.gz RRSJZPZCDMQNDH-GJZGRUSLSA-N 2 3 268.449 0.744 20 0 CCADHP CN(CCC[NH3+])Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235435322 806422818 /nfs/dbraw/zinc/42/28/18/806422818.db2.gz JHJUKTODWDXJPM-UHFFFAOYSA-N 2 3 262.401 0.877 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001160443260 801941388 /nfs/dbraw/zinc/94/13/88/801941388.db2.gz GBGXRXNLRXBNIQ-ZDUSSCGKSA-N 2 3 274.368 0.154 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc3c(c2)CNC3)CC1 ZINC001205249644 803131435 /nfs/dbraw/zinc/13/14/35/803131435.db2.gz YEUGZBGXAFCHLP-MRXNPFEDSA-N 2 3 275.396 0.966 20 0 CCADHP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc3c(c2)CNC3)CC1 ZINC001205249644 803131438 /nfs/dbraw/zinc/13/14/38/803131438.db2.gz YEUGZBGXAFCHLP-MRXNPFEDSA-N 2 3 275.396 0.966 20 0 CCADHP C[C@@H]1C[N@H+](CC[C@@H]2CNCCO2)CCC[C@H]1C[NH3+] ZINC001205982142 803194985 /nfs/dbraw/zinc/19/49/85/803194985.db2.gz KZOUZUBIKBTZBJ-HZSPNIEDSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1C[N@@H+](CC[C@@H]2CNCCO2)CCC[C@H]1C[NH3+] ZINC001205982142 803194988 /nfs/dbraw/zinc/19/49/88/803194988.db2.gz KZOUZUBIKBTZBJ-HZSPNIEDSA-N 2 3 255.406 0.672 20 0 CCADHP CC[NH+]1CCC(CN2CCN(CC[NH+](C)C)CC2)CC1 ZINC001208595921 803525277 /nfs/dbraw/zinc/52/52/77/803525277.db2.gz YATIDCTYTLKDCV-UHFFFAOYSA-N 2 3 282.476 0.898 20 0 CCADHP CN(C)c1ccncc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218563164 804008389 /nfs/dbraw/zinc/00/83/89/804008389.db2.gz MGJYOAWNJCQMGQ-NSHDSACASA-N 2 3 279.388 0.933 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219347882 804280697 /nfs/dbraw/zinc/28/06/97/804280697.db2.gz UBZUKNOIBFUXCF-LBPRGKRZSA-N 2 3 250.346 0.540 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001219646569 804391266 /nfs/dbraw/zinc/39/12/66/804391266.db2.gz VKZICCMQNJJIDL-MJBXVCDLSA-N 2 3 284.448 0.407 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220919206 804700437 /nfs/dbraw/zinc/70/04/37/804700437.db2.gz YCKGKKWMGORCSK-TZMCWYRMSA-N 2 3 282.432 0.576 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220919206 804700440 /nfs/dbraw/zinc/70/04/40/804700440.db2.gz YCKGKKWMGORCSK-TZMCWYRMSA-N 2 3 282.432 0.576 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@H](C)C1 ZINC001221410460 804810488 /nfs/dbraw/zinc/81/04/88/804810488.db2.gz YCYYLEFKGYGUOB-HZSPNIEDSA-N 2 3 284.448 0.678 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@H](C)C1 ZINC001221410460 804810496 /nfs/dbraw/zinc/81/04/96/804810496.db2.gz YCYYLEFKGYGUOB-HZSPNIEDSA-N 2 3 284.448 0.678 20 0 CCADHP C[NH+](C)CC(C)(C)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222085932 804864194 /nfs/dbraw/zinc/86/41/94/804864194.db2.gz PKNVOLQFRFFMTM-UHFFFAOYSA-N 2 3 268.449 0.602 20 0 CCADHP C[C@@]1([NH3+])CCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246023017 807122600 /nfs/dbraw/zinc/12/26/00/807122600.db2.gz RPIVWZZLLCYRMA-UONOGXRCSA-N 2 3 285.432 0.055 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246128421 807161298 /nfs/dbraw/zinc/16/12/98/807161298.db2.gz TWEARAXDKSJWSM-MGPQQGTHSA-N 2 3 267.417 0.875 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001246127354 807161391 /nfs/dbraw/zinc/16/13/91/807161391.db2.gz KBZZMBWLRZAHKT-YYJFMHSASA-N 2 3 264.417 0.153 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001246127354 807161394 /nfs/dbraw/zinc/16/13/94/807161394.db2.gz KBZZMBWLRZAHKT-YYJFMHSASA-N 2 3 264.417 0.153 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246147244 807167581 /nfs/dbraw/zinc/16/75/81/807167581.db2.gz WVNKIQDHIAWYMA-BARDWOONSA-N 2 3 283.416 0.112 20 0 CCADHP C[C@@H]1CC[C@H](N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246147675 807167866 /nfs/dbraw/zinc/16/78/66/807167866.db2.gz MBLCKIVQTZKQCW-RFGFWPKPSA-N 2 3 253.390 0.628 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246152106 807168989 /nfs/dbraw/zinc/16/89/89/807168989.db2.gz WSFPNOIMYYIBFE-WVCDBTDCSA-N 2 3 265.401 0.484 20 0 CCADHP [NH3+]CCCOCCOCCC[NH2+]C1CCNCC1 ZINC001246211226 807187590 /nfs/dbraw/zinc/18/75/90/807187590.db2.gz MQRVZNKRRXGSGC-UHFFFAOYSA-N 2 3 259.394 0.100 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246375324 807237431 /nfs/dbraw/zinc/23/74/31/807237431.db2.gz OPAMPMCCEQRJAM-SNPRPXQTSA-N 2 3 266.433 0.543 20 0 CCADHP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557195 807285521 /nfs/dbraw/zinc/28/55/21/807285521.db2.gz FZEGMDUUCWKGPI-BFHYXJOUSA-N 2 3 257.422 0.891 20 0 CCADHP N[C@@H]1CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246560867 807291239 /nfs/dbraw/zinc/29/12/39/807291239.db2.gz UNMLPZQZVWSLGT-JHJVBQTASA-N 2 3 253.390 0.303 20 0 CCADHP N[C@@H]1CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246560867 807291242 /nfs/dbraw/zinc/29/12/42/807291242.db2.gz UNMLPZQZVWSLGT-JHJVBQTASA-N 2 3 253.390 0.303 20 0 CCADHP NC[C@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585050 807304634 /nfs/dbraw/zinc/30/46/34/807304634.db2.gz MVYCXSOIQHRQGP-FQUUOJAGSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585050 807304642 /nfs/dbraw/zinc/30/46/42/807304642.db2.gz MVYCXSOIQHRQGP-FQUUOJAGSA-N 2 3 253.390 0.160 20 0 CCADHP CCC[NH+]1CCC(N2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246605841 807319683 /nfs/dbraw/zinc/31/96/83/807319683.db2.gz RAPDALUDDSRMEW-UHFFFAOYSA-N 2 3 280.460 0.888 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620209 807327883 /nfs/dbraw/zinc/32/78/83/807327883.db2.gz WOEUYEOMOUOTIT-QAETUUGQSA-N 2 3 292.471 0.935 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620209 807327891 /nfs/dbraw/zinc/32/78/91/807327891.db2.gz WOEUYEOMOUOTIT-QAETUUGQSA-N 2 3 292.471 0.935 20 0 CCADHP C[NH+]1CCC(CN2CCN([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC001246948787 807438466 /nfs/dbraw/zinc/43/84/66/807438466.db2.gz LYHHOLKQAAADAF-INIZCTEOSA-N 2 3 280.460 0.698 20 0 CCADHP C[C@@H]1C[C@@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963359 807441998 /nfs/dbraw/zinc/44/19/98/807441998.db2.gz AGYZMQLORCDVEG-NFAWXSAZSA-N 2 3 266.433 0.624 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405879 811769396 /nfs/dbraw/zinc/76/93/96/811769396.db2.gz CEYLZSUIPQGDBM-UPJWGTAASA-N 2 3 270.421 0.288 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405879 811769403 /nfs/dbraw/zinc/76/94/03/811769403.db2.gz CEYLZSUIPQGDBM-UPJWGTAASA-N 2 3 270.421 0.288 20 0 CCADHP CC[NH+]1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001169241891 836172901 /nfs/dbraw/zinc/17/29/01/836172901.db2.gz SDNQKUMZSGMLSH-UHFFFAOYSA-N 2 3 268.449 0.827 20 0 CCADHP NC[C@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585061 840127035 /nfs/dbraw/zinc/12/70/35/840127035.db2.gz MVYCXSOIQHRQGP-REWJHTLYSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585061 840127042 /nfs/dbraw/zinc/12/70/42/840127042.db2.gz MVYCXSOIQHRQGP-REWJHTLYSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1CCCC[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598082 840154319 /nfs/dbraw/zinc/15/43/19/840154319.db2.gz ZOYLGRWYOXITTJ-VXGBXAGGSA-N 2 3 255.431 0.895 20 0 CCADHP NC[C@H]1CCCC[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246598082 840154321 /nfs/dbraw/zinc/15/43/21/840154321.db2.gz ZOYLGRWYOXITTJ-VXGBXAGGSA-N 2 3 255.431 0.895 20 0 CCADHP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563601166 291240788 /nfs/dbraw/zinc/24/07/88/291240788.db2.gz MIPKBIQGRITAOH-ZIAGYGMSSA-N 2 3 299.463 0.119 20 0 CCADHP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574809578 335048867 /nfs/dbraw/zinc/04/88/67/335048867.db2.gz USSXBEBNFFXCNV-OLZOCXBDSA-N 2 3 287.452 0.247 20 0 CCADHP C(CN1CCC([C@H]2CCC[NH2+]2)CC1)N1CC[NH2+]CC1 ZINC000575046912 335058818 /nfs/dbraw/zinc/05/88/18/335058818.db2.gz XVSIRAMWQWEHFB-OAHLLOKOSA-N 2 3 266.433 0.356 20 0 CCADHP C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000361965468 389227101 /nfs/dbraw/zinc/22/71/01/389227101.db2.gz CWVYRCVNNBALLS-GOEBONIOSA-N 2 3 282.476 0.942 20 0 CCADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000361965468 389227102 /nfs/dbraw/zinc/22/71/02/389227102.db2.gz CWVYRCVNNBALLS-GOEBONIOSA-N 2 3 282.476 0.942 20 0 CCADHP C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000575046284 390831903 /nfs/dbraw/zinc/83/19/03/390831903.db2.gz JKZSBQWFIRFBRN-OAHLLOKOSA-N 2 3 266.433 0.213 20 0 CCADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761926 397755440 /nfs/dbraw/zinc/75/54/40/397755440.db2.gz NRXGCCDSLZNNDJ-IACUBPJLSA-N 2 3 255.406 0.718 20 0 CCADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761925 397755682 /nfs/dbraw/zinc/75/56/82/397755682.db2.gz NRXGCCDSLZNNDJ-FPMFFAJLSA-N 2 3 255.406 0.718 20 0 CCADHP [NH3+]CC1(O)CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652341554 412031682 /nfs/dbraw/zinc/03/16/82/412031682.db2.gz ZLFSCPRNLRVBPW-UHFFFAOYSA-N 2 3 275.396 0.618 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H]2CC[NH2+]C2)C1 ZINC000652360596 412038403 /nfs/dbraw/zinc/03/84/03/412038403.db2.gz MGNZBTGTZOVNLD-KBXIAJHMSA-N 2 3 267.417 0.957 20 0 CCADHP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788128 613234449 /nfs/dbraw/zinc/23/44/49/613234449.db2.gz CJWKESCCUKNPOB-YJNKXOJESA-N 2 3 265.401 0.296 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782402 614854149 /nfs/dbraw/zinc/85/41/49/614854149.db2.gz MKLXVEXWQMVJQQ-NRWUCQMLSA-N 2 3 253.390 0.470 20 0 CCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782402 614854152 /nfs/dbraw/zinc/85/41/52/614854152.db2.gz MKLXVEXWQMVJQQ-NRWUCQMLSA-N 2 3 253.390 0.470 20 0 CCADHP CCN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[NH2+]CC1 ZINC000923334157 615063032 /nfs/dbraw/zinc/06/30/32/615063032.db2.gz CBOBPGNLHPFHCD-KBPBESRZSA-N 2 3 267.417 0.829 20 0 CCADHP CCOC(=O)C1([C@@H](C)NCC2([NH3+])CC2)CC[NH2+]CC1 ZINC000902407838 615159704 /nfs/dbraw/zinc/15/97/04/615159704.db2.gz WFQZQOWOEZRLTH-LLVKDONJSA-N 2 3 269.389 0.389 20 0 CCADHP CN1CCC([NH2+]CCCCC[NH+]2CCNCC2)CC1 ZINC000925848123 616174366 /nfs/dbraw/zinc/17/43/66/616174366.db2.gz AJQTXGVVKAHYRW-UHFFFAOYSA-N 2 3 268.449 0.746 20 0 CCADHP [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713125 634632687 /nfs/dbraw/zinc/63/26/87/634632687.db2.gz FTUWOOAFMQGOFE-MELADBBJSA-N 2 3 253.390 0.426 20 0 CCADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903763250 634641958 /nfs/dbraw/zinc/64/19/58/634641958.db2.gz JBROUZADPXTBSM-SYQHCUMBSA-N 2 3 253.390 0.615 20 0 CCADHP C[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000903757748 634646830 /nfs/dbraw/zinc/64/68/30/634646830.db2.gz GSKUOMQGFXTZBM-CBBWQLFWSA-N 2 3 267.417 0.672 20 0 CCADHP Cc1c(C[C@H](CN)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cnn1C ZINC000903977936 634699485 /nfs/dbraw/zinc/69/94/85/634699485.db2.gz FGKWEODOZWSIJX-BPLDGKMQSA-N 2 3 293.459 0.763 20 0 CCADHP Cc1c(C[C@H](CN)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cnn1C ZINC000903977936 634699487 /nfs/dbraw/zinc/69/94/87/634699487.db2.gz FGKWEODOZWSIJX-BPLDGKMQSA-N 2 3 293.459 0.763 20 0 CCADHP C[C@]1(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[NH2+]C1 ZINC000904393201 634738188 /nfs/dbraw/zinc/73/81/88/634738188.db2.gz NATHNAFHNRJESJ-KGLIPLIRSA-N 2 3 267.417 0.816 20 0 CCADHP C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCC[NH2+]C1 ZINC000925848988 631397668 /nfs/dbraw/zinc/39/76/68/631397668.db2.gz MMBDZAPMGPMIMR-MELADBBJSA-N 2 3 295.427 0.649 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925848248 648466595 /nfs/dbraw/zinc/46/65/95/648466595.db2.gz DCDVNZYEOZWARB-JHJVBQTASA-N 2 3 281.400 0.531 20 0 CCADHP COC(=O)CCN(CCCC[NH3+])CCC[NH+](C)C ZINC001235662588 806487543 /nfs/dbraw/zinc/48/75/43/806487543.db2.gz JHKAQDOKKSPRAE-UHFFFAOYSA-N 2 3 259.394 0.542 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169745 801581968 /nfs/dbraw/zinc/58/19/68/801581968.db2.gz TXMYXBBWEDBGKE-LBPRGKRZSA-N 2 3 268.405 0.187 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444057 802154130 /nfs/dbraw/zinc/15/41/30/802154130.db2.gz AZMDNSPXNBBUKC-CABCVRRESA-N 2 3 296.459 0.518 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219921651 804448127 /nfs/dbraw/zinc/44/81/27/804448127.db2.gz XCUCZTGFGGSSTM-CYBMUJFWSA-N 2 3 270.421 0.161 20 0 CCADHP NCc1ccc2c(n1)N(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCC2 ZINC001220377281 804588213 /nfs/dbraw/zinc/58/82/13/804588213.db2.gz RBRSXQUWUDUQOP-ZDUSSCGKSA-N 2 3 291.399 0.276 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220681151 804648760 /nfs/dbraw/zinc/64/87/60/804648760.db2.gz XOASUYUIFLQCIZ-YJNKXOJESA-N 2 3 296.459 0.835 20 0 CCADHP CCCC(C[NH3+])(CCC)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221372399 804791507 /nfs/dbraw/zinc/79/15/07/804791507.db2.gz MTZFSGZHZHXKOC-CZUORRHYSA-N 2 3 296.459 0.599 20 0 CCADHP O[C@]1(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCCNC1 ZINC001246033926 807128974 /nfs/dbraw/zinc/12/89/74/807128974.db2.gz OILVTXWDXSHJEP-JKSUJKDBSA-N 2 3 281.444 0.955 20 0 CCADHP O[C@]1(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)CCC[NH2+]C1 ZINC001246033926 807128979 /nfs/dbraw/zinc/12/89/79/807128979.db2.gz OILVTXWDXSHJEP-JKSUJKDBSA-N 2 3 281.444 0.955 20 0 CCADHP C(C[C@H]1CCOC12CC[NH2+]CC2)N[C@@H]1CCC[NH2+]C1 ZINC001246143185 807165134 /nfs/dbraw/zinc/16/51/34/807165134.db2.gz UOQYEFADNWQPEI-UONOGXRCSA-N 2 3 267.417 0.877 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246150428 807168670 /nfs/dbraw/zinc/16/86/70/807168670.db2.gz VZDYTHWGHUQNBV-FRRDWIJNSA-N 2 3 252.406 0.201 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246173576 807175738 /nfs/dbraw/zinc/17/57/38/807175738.db2.gz JMQVVIJXXRSLCC-AWEZNQCLSA-N 2 3 267.417 0.877 20 0 CCADHP C([NH2+]C1CCNCC1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246173576 807175742 /nfs/dbraw/zinc/17/57/42/807175742.db2.gz JMQVVIJXXRSLCC-AWEZNQCLSA-N 2 3 267.417 0.877 20 0 CCADHP CC[C@@H]1C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545824 807280034 /nfs/dbraw/zinc/28/00/34/807280034.db2.gz XLXBSUYYLZVLEH-RDBSUJKOSA-N 2 3 255.406 0.693 20 0 CCADHP NC[C@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1O ZINC001246574632 807297781 /nfs/dbraw/zinc/29/77/81/807297781.db2.gz AKKBNTPJQCMKBJ-FGZQJIAISA-N 2 3 267.417 0.550 20 0 CCADHP NC[C@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1O ZINC001246574632 807297787 /nfs/dbraw/zinc/29/77/87/807297787.db2.gz AKKBNTPJQCMKBJ-FGZQJIAISA-N 2 3 267.417 0.550 20 0 CCADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010524 807453202 /nfs/dbraw/zinc/45/32/02/807453202.db2.gz WICWRJYPNWHZBC-MCIONIFRSA-N 2 3 295.427 0.602 20 0 CCADHP C1CN(C2CC[NH2+]CC2)C[C@@H]1[NH2+][C@H]1CCCNC1 ZINC001246371312 839825579 /nfs/dbraw/zinc/82/55/79/839825579.db2.gz JFFDJGFCAZEJEO-QWHCGFSZSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246598523 840158666 /nfs/dbraw/zinc/15/86/66/840158666.db2.gz BPVYGRLSYRJICR-QWHCGFSZSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@H]1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246598523 840158669 /nfs/dbraw/zinc/15/86/69/840158669.db2.gz BPVYGRLSYRJICR-QWHCGFSZSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@H]1C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246598523 840158674 /nfs/dbraw/zinc/15/86/74/840158674.db2.gz BPVYGRLSYRJICR-QWHCGFSZSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC001332455659 918173335 /nfs/dbraw/zinc/17/33/35/918173335.db2.gz IVWNICZTBQFGHA-BNOWGMLFSA-N 2 3 252.406 0.234 20 0 CCADHP C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC001332455659 918173342 /nfs/dbraw/zinc/17/33/42/918173342.db2.gz IVWNICZTBQFGHA-BNOWGMLFSA-N 2 3 252.406 0.234 20 0 CCADHP C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001332455659 918173350 /nfs/dbraw/zinc/17/33/50/918173350.db2.gz IVWNICZTBQFGHA-BNOWGMLFSA-N 2 3 252.406 0.234 20 0 CCADHP C1CNC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566230175 291379756 /nfs/dbraw/zinc/37/97/56/291379756.db2.gz OLVZTEGNJXOGDT-SHARSMKWSA-N 2 3 266.433 0.544 20 0 CCADHP C1CNC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000566230175 291379757 /nfs/dbraw/zinc/37/97/57/291379757.db2.gz OLVZTEGNJXOGDT-SHARSMKWSA-N 2 3 266.433 0.544 20 0 CCADHP C[NH2+]CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000629530698 369691835 /nfs/dbraw/zinc/69/18/35/369691835.db2.gz NOMFGCSURHYXTL-MGPQQGTHSA-N 2 3 255.406 0.685 20 0 CCADHP CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000634990991 372325583 /nfs/dbraw/zinc/32/55/83/372325583.db2.gz KUOWTHRUQGRCGT-OLZOCXBDSA-N 2 3 270.421 0.004 20 0 CCADHP CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000634990991 372325591 /nfs/dbraw/zinc/32/55/91/372325591.db2.gz KUOWTHRUQGRCGT-OLZOCXBDSA-N 2 3 270.421 0.004 20 0 CCADHP C[C@H]1C[NH2+]CC[C@H]1C[NH+]1CCC(NCCO)CC1 ZINC000635001956 372337425 /nfs/dbraw/zinc/33/74/25/372337425.db2.gz GBMIVPSMPPIAMS-STQMWFEESA-N 2 3 255.406 0.278 20 0 CCADHP C[C@H]1C[NH2+]CC[C@H]1CN1CCC([NH2+]CCO)CC1 ZINC000635001956 372337428 /nfs/dbraw/zinc/33/74/28/372337428.db2.gz GBMIVPSMPPIAMS-STQMWFEESA-N 2 3 255.406 0.278 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423203759 389552423 /nfs/dbraw/zinc/55/24/23/389552423.db2.gz NIXYOQMAQUFNDQ-KKUMJFAQSA-N 2 3 266.433 0.354 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423203759 389552426 /nfs/dbraw/zinc/55/24/26/389552426.db2.gz NIXYOQMAQUFNDQ-KKUMJFAQSA-N 2 3 266.433 0.354 20 0 CCADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCNC2)CC[NH2+]CC1 ZINC000423213575 389554518 /nfs/dbraw/zinc/55/45/18/389554518.db2.gz NPCJKCPJCQNHRW-ZIAGYGMSSA-N 2 3 297.443 0.897 20 0 CCADHP CCOC(=O)C1([C@@H](C)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423213575 389554521 /nfs/dbraw/zinc/55/45/21/389554521.db2.gz NPCJKCPJCQNHRW-ZIAGYGMSSA-N 2 3 297.443 0.897 20 0 CCADHP CN1CCN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788614 390172183 /nfs/dbraw/zinc/17/21/83/390172183.db2.gz NCRFOGZZSTVFGR-IXDOHACOSA-N 2 3 294.487 0.992 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000580074203 390218027 /nfs/dbraw/zinc/21/80/27/390218027.db2.gz IJTXYNIREZSZAL-QPSCCSFWSA-N 2 3 294.443 0.243 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000580074203 390218029 /nfs/dbraw/zinc/21/80/29/390218029.db2.gz IJTXYNIREZSZAL-QPSCCSFWSA-N 2 3 294.443 0.243 20 0 CCADHP NC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000517743061 390490664 /nfs/dbraw/zinc/49/06/64/390490664.db2.gz YKFFRASYYRFHPQ-CQSZACIVSA-N 2 3 267.417 0.673 20 0 CCADHP NC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000517743061 390490669 /nfs/dbraw/zinc/49/06/69/390490669.db2.gz YKFFRASYYRFHPQ-CQSZACIVSA-N 2 3 267.417 0.673 20 0 CCADHP C[NH2+]CCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349206 412033008 /nfs/dbraw/zinc/03/30/08/412033008.db2.gz FRJHKRKGONNLOJ-BFHYXJOUSA-N 2 3 255.406 0.814 20 0 CCADHP [NH3+]CC1(O)CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662282083 414705526 /nfs/dbraw/zinc/70/55/26/414705526.db2.gz CZZWTXIMZXAQRN-UHFFFAOYSA-N 2 3 275.396 0.618 20 0 CCADHP CC[NH+](CC)CCO[C@@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC000577377492 335344733 /nfs/dbraw/zinc/34/47/33/335344733.db2.gz LCZUPMSOGOGSOM-MRXNPFEDSA-N 2 3 298.475 0.324 20 0 CCADHP C[C@H](CCN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249380 545338463 /nfs/dbraw/zinc/33/84/63/545338463.db2.gz DHUMWRWKJCISMR-LJIZCISZSA-N 2 3 278.444 0.067 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923365816 613224642 /nfs/dbraw/zinc/22/46/42/613224642.db2.gz ZJHXYZBRCCPTGI-SOUVJXGZSA-N 2 3 279.428 0.829 20 0 CCADHP CN(C)CC[NH+]1CCC(CNC[C@@H]2CCC[NH2+]2)CC1 ZINC000843126391 615897451 /nfs/dbraw/zinc/89/74/51/615897451.db2.gz PUQVPTMXNQWPJC-HNNXBMFYSA-N 2 3 268.449 0.602 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(OCCC[NH3+])CC1 ZINC000903424814 634562959 /nfs/dbraw/zinc/56/29/59/634562959.db2.gz HSQVOUKMXGTBNJ-OLZOCXBDSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000903473999 634573651 /nfs/dbraw/zinc/57/36/51/634573651.db2.gz DMYOYKMOYRANFU-KBMXLJTQSA-N 2 3 281.444 0.932 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716593 634628580 /nfs/dbraw/zinc/62/85/80/634628580.db2.gz PXMCYIMCERHGRW-XGUBFFRZSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744933 634639988 /nfs/dbraw/zinc/63/99/88/634639988.db2.gz ZLEGSQVEFQGEQW-MELADBBJSA-N 2 3 267.417 0.814 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cnn1C ZINC000903918595 634685454 /nfs/dbraw/zinc/68/54/54/634685454.db2.gz CIPXJNXSVZDHCV-NFAWXSAZSA-N 2 3 279.432 0.563 20 0 CCADHP [NH3+]CCCCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843385814 643043411 /nfs/dbraw/zinc/04/34/11/643043411.db2.gz SIHKFWCGZKJHAC-OAHLLOKOSA-N 2 3 268.449 0.875 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246156442 807170661 /nfs/dbraw/zinc/17/06/61/807170661.db2.gz LSZVIFQHZVRZNG-KBXIAJHMSA-N 2 3 267.417 0.875 20 0 CCADHP CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160484178 801949026 /nfs/dbraw/zinc/94/90/26/801949026.db2.gz ZPLGQFRGZYKEPK-AWEZNQCLSA-N 2 3 294.443 0.128 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444058 802154063 /nfs/dbraw/zinc/15/40/63/802154063.db2.gz AZMDNSPXNBBUKC-GJZGRUSLSA-N 2 3 296.459 0.518 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161447885 802155727 /nfs/dbraw/zinc/15/57/27/802155727.db2.gz ZNZUDFJULWFACE-BFHYXJOUSA-N 2 3 282.432 0.256 20 0 CCADHP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161447739 802155896 /nfs/dbraw/zinc/15/58/96/802155896.db2.gz ZACAVDWPJHZVMT-SOUVJXGZSA-N 2 3 298.475 0.763 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc2c1CNC2 ZINC001218994173 804178100 /nfs/dbraw/zinc/17/81/00/804178100.db2.gz CUUSLSYHAFPHAE-AWEZNQCLSA-N 2 3 276.384 0.945 20 0 CCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CCC[NH3+] ZINC001220334008 804576843 /nfs/dbraw/zinc/57/68/43/804576843.db2.gz YWUYVFSRMQGHLZ-QWHCGFSZSA-N 2 3 270.421 0.289 20 0 CCADHP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC12CNC2)CC(C)(C)CC[NH3+] ZINC001220763401 804662155 /nfs/dbraw/zinc/66/21/55/804662155.db2.gz AODWANPKPUJYJE-OLZOCXBDSA-N 2 3 296.459 0.313 20 0 CCADHP C([NH2+]C1CCNCC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246126571 807161354 /nfs/dbraw/zinc/16/13/54/807161354.db2.gz MOORABBKELXKKY-GFCCVEGCSA-N 2 3 253.390 0.487 20 0 CCADHP C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246195805 807184078 /nfs/dbraw/zinc/18/40/78/807184078.db2.gz PXRBLTODLCJVSV-HUUCEWRRSA-N 2 3 280.460 0.935 20 0 CCADHP C[C@H]1C[C@H]([NH2+]CCCOCCOCCC[NH3+])CCN1 ZINC001246208590 807186166 /nfs/dbraw/zinc/18/61/66/807186166.db2.gz DUXLRMLJCHHVJE-UONOGXRCSA-N 2 3 273.421 0.489 20 0 CCADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)CCN1 ZINC001246236734 807193914 /nfs/dbraw/zinc/19/39/14/807193914.db2.gz YTNNLSWGWXLQMW-GXTWGEPZSA-N 2 3 255.406 0.421 20 0 CCADHP CN(CC[NH3+])CC[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246285265 807208619 /nfs/dbraw/zinc/20/86/19/807208619.db2.gz QVENDEBCKMUEPL-IAGOWNOFSA-N 2 3 290.455 0.830 20 0 CCADHP CC1(C)C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541352 807278805 /nfs/dbraw/zinc/27/88/05/807278805.db2.gz GUZKYDQEOZBCNU-OCCSQVGLSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541352 807278809 /nfs/dbraw/zinc/27/88/09/807278809.db2.gz GUZKYDQEOZBCNU-OCCSQVGLSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246541352 807278815 /nfs/dbraw/zinc/27/88/15/807278815.db2.gz GUZKYDQEOZBCNU-OCCSQVGLSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541351 807279178 /nfs/dbraw/zinc/27/91/78/807279178.db2.gz GUZKYDQEOZBCNU-JSGCOSHPSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246541351 807279180 /nfs/dbraw/zinc/27/91/80/807279180.db2.gz GUZKYDQEOZBCNU-JSGCOSHPSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246541351 807279182 /nfs/dbraw/zinc/27/91/82/807279182.db2.gz GUZKYDQEOZBCNU-JSGCOSHPSA-N 2 3 255.406 0.693 20 0 CCADHP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557196 807285474 /nfs/dbraw/zinc/28/54/74/807285474.db2.gz FZEGMDUUCWKGPI-MGPQQGTHSA-N 2 3 257.422 0.891 20 0 CCADHP [NH3+]C[C@]1(O)CCCCN([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246560124 807287511 /nfs/dbraw/zinc/28/75/11/807287511.db2.gz PGWJXBBFRSDRKY-NWDGAFQWSA-N 2 3 271.430 0.010 20 0 CCADHP C1C[C@@H]2C[C@H]([N@@H+]3CCNC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246593035 807312603 /nfs/dbraw/zinc/31/26/03/807312603.db2.gz FJOAISILLDSXFE-FICVDOATSA-N 2 3 278.444 0.687 20 0 CCADHP C1C[C@@H]2C[C@H]([N@H+]3CCNC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246593035 807312608 /nfs/dbraw/zinc/31/26/08/807312608.db2.gz FJOAISILLDSXFE-FICVDOATSA-N 2 3 278.444 0.687 20 0 CCADHP [NH3+]CCCN1CC[NH+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254841275 808285295 /nfs/dbraw/zinc/28/52/95/808285295.db2.gz VYRHXICMAWFOTA-HNNXBMFYSA-N 2 3 266.433 0.437 20 0 CCADHP CC[NH+](CC)C[C@H](O)CN(C)CC1CC[NH+](C)CC1 ZINC000389150856 809673088 /nfs/dbraw/zinc/67/30/88/809673088.db2.gz VTCKZTRBVDIBHL-OAHLLOKOSA-N 2 3 271.449 0.963 20 0 CCADHP CN(CCN1CC[NH2+]CC1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236080485 817062691 /nfs/dbraw/zinc/06/26/91/817062691.db2.gz CVFBOYXDHFOIGJ-UHFFFAOYSA-N 2 3 274.412 0.627 20 0 CCADHP [NH3+]C/C=C/CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001160983188 840347599 /nfs/dbraw/zinc/34/75/99/840347599.db2.gz SGZWMKMLYFYRLQ-OWOJBTEDSA-N 2 3 261.373 0.936 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@H+](CC[C@H]2CNCCO2)CC1 ZINC001206296314 842517346 /nfs/dbraw/zinc/51/73/46/842517346.db2.gz QVBLSOJBJFYPRU-UONOGXRCSA-N 2 3 255.406 0.816 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@@H+](CC[C@H]2CNCCO2)CC1 ZINC001206296314 842517357 /nfs/dbraw/zinc/51/73/57/842517357.db2.gz QVBLSOJBJFYPRU-UONOGXRCSA-N 2 3 255.406 0.816 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000563596487 291240473 /nfs/dbraw/zinc/24/04/73/291240473.db2.gz YFHLHTAJSSREQN-CQSZACIVSA-N 2 3 299.463 0.121 20 0 CCADHP COC[C@@H](CCC[NH3+])Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012600 372342056 /nfs/dbraw/zinc/34/20/56/372342056.db2.gz ULGKQARVOPHPGR-CYBMUJFWSA-N 2 3 293.415 0.657 20 0 CCADHP CC(C)C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C(=O)NCC[NH+](C)C ZINC000423021816 389523784 /nfs/dbraw/zinc/52/37/84/389523784.db2.gz CZPVPCNZFIAOBV-RDBSUJKOSA-N 2 3 286.464 0.794 20 0 CCADHP CN1CC[NH+](CC2(C)CCN(C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000647989998 390239882 /nfs/dbraw/zinc/23/98/82/390239882.db2.gz OHOROPXLXSXNJF-INIZCTEOSA-N 2 3 294.487 0.945 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H]2CC[NH2+]C2)C1 ZINC000652360598 412037783 /nfs/dbraw/zinc/03/77/83/412037783.db2.gz MGNZBTGTZOVNLD-XGUBFFRZSA-N 2 3 267.417 0.957 20 0 CCADHP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662259997 414701310 /nfs/dbraw/zinc/70/13/10/414701310.db2.gz DRWHSUSWVBCORM-AWEZNQCLSA-N 2 3 267.417 0.781 20 0 CCADHP [NH3+]CCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662284790 414706264 /nfs/dbraw/zinc/70/62/64/414706264.db2.gz PJGPZNUHPRXATD-CYBMUJFWSA-N 2 3 253.390 0.568 20 0 CCADHP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662245030 414698719 /nfs/dbraw/zinc/69/87/19/414698719.db2.gz HHJXNDKXLSWDPJ-WCQYABFASA-N 2 3 253.390 0.567 20 0 CCADHP C[NH2+]CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662245647 414698878 /nfs/dbraw/zinc/69/88/78/414698878.db2.gz MNJLBJBOLQALAB-ZDUSSCGKSA-N 2 3 253.390 0.439 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H](NCCN2CC[NH2+]CC2)C1 ZINC000902391109 614701477 /nfs/dbraw/zinc/70/14/77/614701477.db2.gz UHLFRQRMDIBEEK-CYBMUJFWSA-N 2 3 254.422 0.259 20 0 CCADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903763249 634642029 /nfs/dbraw/zinc/64/20/29/634642029.db2.gz JBROUZADPXTBSM-REWJHTLYSA-N 2 3 253.390 0.615 20 0 CCADHP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[C@H]1C[NH3+] ZINC000903788007 634652372 /nfs/dbraw/zinc/65/23/72/634652372.db2.gz AELZZUJGFZJGLF-RDBSUJKOSA-N 2 3 255.406 0.360 20 0 CCADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(C[NH3+])CC2)cnn1C ZINC000903873685 634673671 /nfs/dbraw/zinc/67/36/71/634673671.db2.gz KHPBXBFJLUIGGL-AWEZNQCLSA-N 2 3 279.432 0.517 20 0 CCADHP [NH3+]C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C(F)(F)F ZINC000904383577 634739642 /nfs/dbraw/zinc/73/96/42/634739642.db2.gz CCLYUYDDRSFJJG-QEYWKRMJSA-N 2 3 251.296 0.793 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925817234 648464503 /nfs/dbraw/zinc/46/45/03/648464503.db2.gz ONYRZQKFYNHVDB-OAGGEKHMSA-N 2 3 280.460 0.920 20 0 CCADHP [NH3+]C[C@H]1CCCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817285 648464701 /nfs/dbraw/zinc/46/47/01/648464701.db2.gz PHVGWPZMVFLLFZ-TZMCWYRMSA-N 2 3 254.422 0.517 20 0 CCADHP NC[C@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817285 648464705 /nfs/dbraw/zinc/46/47/05/648464705.db2.gz PHVGWPZMVFLLFZ-TZMCWYRMSA-N 2 3 254.422 0.517 20 0 CCADHP CC1(CN2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235051732 806354304 /nfs/dbraw/zinc/35/43/04/806354304.db2.gz ALDUXEGOUSFQHX-CQSZACIVSA-N 2 3 252.406 0.013 20 0 CCADHP Cc1cnc(NC(=N)NCCCC[NH3+])nc1C1C[NH2+]C1 ZINC001157101215 801302371 /nfs/dbraw/zinc/30/23/71/801302371.db2.gz ASFYHIQLIXWKNS-UHFFFAOYSA-N 2 3 277.376 0.147 20 0 CCADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220062054 804490773 /nfs/dbraw/zinc/49/07/73/804490773.db2.gz LBVNETDBMCWMPV-DZGCQCFKSA-N 2 3 296.459 0.694 20 0 CCADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220062054 804490778 /nfs/dbraw/zinc/49/07/78/804490778.db2.gz LBVNETDBMCWMPV-DZGCQCFKSA-N 2 3 296.459 0.694 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805138 804669777 /nfs/dbraw/zinc/66/97/77/804669777.db2.gz QSGUJFPTZYJGCQ-UTLUCORTSA-N 2 3 296.337 0.099 20 0 CCADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CCC[NH3+] ZINC001221373012 804791180 /nfs/dbraw/zinc/79/11/80/804791180.db2.gz VQXPOQFRLXMVES-NSHDSACASA-N 2 3 258.410 0.467 20 0 CCADHP C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001221401740 804804779 /nfs/dbraw/zinc/80/47/79/804804779.db2.gz MZZHFNXMGIEPTN-BPCQOVAHSA-N 2 3 270.421 0.289 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406257 804808743 /nfs/dbraw/zinc/80/87/43/804808743.db2.gz DYPCZUUCMIFQEY-SNPRPXQTSA-N 2 3 296.459 0.548 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406257 804808751 /nfs/dbraw/zinc/80/87/51/804808751.db2.gz DYPCZUUCMIFQEY-SNPRPXQTSA-N 2 3 296.459 0.548 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)C1 ZINC001221410463 804809465 /nfs/dbraw/zinc/80/94/65/804809465.db2.gz YCYYLEFKGYGUOB-MELADBBJSA-N 2 3 284.448 0.678 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)C1 ZINC001221410463 804809470 /nfs/dbraw/zinc/80/94/70/804809470.db2.gz YCYYLEFKGYGUOB-MELADBBJSA-N 2 3 284.448 0.678 20 0 CCADHP CC(C)(C)NC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054497 807134539 /nfs/dbraw/zinc/13/45/39/807134539.db2.gz ZVAUAKTYFAUADS-HZSPNIEDSA-N 2 3 269.433 0.667 20 0 CCADHP CC(C)(C)NC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054497 807134543 /nfs/dbraw/zinc/13/45/43/807134543.db2.gz ZVAUAKTYFAUADS-HZSPNIEDSA-N 2 3 269.433 0.667 20 0 CCADHP CC(C)(C)[NH2+]C[C@@H](O)CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054497 807134545 /nfs/dbraw/zinc/13/45/45/807134545.db2.gz ZVAUAKTYFAUADS-HZSPNIEDSA-N 2 3 269.433 0.667 20 0 CCADHP CC[C@@H]1C[C@@H](NCCC2(O)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246116076 807158149 /nfs/dbraw/zinc/15/81/49/807158149.db2.gz DLCDMEYVHDKIHN-CLLJXQQHSA-N 2 3 255.406 0.610 20 0 CCADHP C[C@@H]1CC[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246126984 807160761 /nfs/dbraw/zinc/16/07/61/807160761.db2.gz MRKDVFUOQFONAS-MGPQQGTHSA-N 2 3 266.433 0.591 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246126981 807161467 /nfs/dbraw/zinc/16/14/67/807161467.db2.gz MRKDVFUOQFONAS-HZSPNIEDSA-N 2 3 266.433 0.591 20 0 CCADHP C[C@@H]1CC[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246126983 807161561 /nfs/dbraw/zinc/16/15/61/807161561.db2.gz MRKDVFUOQFONAS-MCIONIFRSA-N 2 3 266.433 0.591 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246149167 807167757 /nfs/dbraw/zinc/16/77/57/807167757.db2.gz UCAWDLKGQGORDU-XGUBFFRZSA-N 2 3 280.460 0.979 20 0 CCADHP CC1(C)C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541350 807279254 /nfs/dbraw/zinc/27/92/54/807279254.db2.gz GUZKYDQEOZBCNU-GXTWGEPZSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541350 807279256 /nfs/dbraw/zinc/27/92/56/807279256.db2.gz GUZKYDQEOZBCNU-GXTWGEPZSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246541350 807279258 /nfs/dbraw/zinc/27/92/58/807279258.db2.gz GUZKYDQEOZBCNU-GXTWGEPZSA-N 2 3 255.406 0.693 20 0 CCADHP C[C@@H](C[NH3+])C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684066 808548607 /nfs/dbraw/zinc/54/86/07/808548607.db2.gz NBKLQWKCTGTQAE-HSBZDZAISA-N 2 3 255.406 0.814 20 0 CCADHP C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246127702 839633985 /nfs/dbraw/zinc/63/39/85/839633985.db2.gz OXKVFMMOBQJTFJ-UONOGXRCSA-N 2 3 266.433 0.592 20 0 CCADHP C[C@@H]1C[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246979339 840671775 /nfs/dbraw/zinc/67/17/75/840671775.db2.gz YIJACEQRVQJKFC-YUELXQCFSA-N 2 3 266.433 0.624 20 0 CCADHP C[C@H](N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000037825469 348211563 /nfs/dbraw/zinc/21/15/63/348211563.db2.gz QCXVIAZOWZNSHY-LBPRGKRZSA-N 2 3 258.410 0.066 20 0 CCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641413705 377089596 /nfs/dbraw/zinc/08/95/96/377089596.db2.gz NCACAVCFNDOXQB-KGLIPLIRSA-N 2 3 299.463 0.391 20 0 CCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641413705 377089606 /nfs/dbraw/zinc/08/96/06/377089606.db2.gz NCACAVCFNDOXQB-KGLIPLIRSA-N 2 3 299.463 0.391 20 0 CCADHP C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC[NH2+]1 ZINC000516432959 249162824 /nfs/dbraw/zinc/16/28/24/249162824.db2.gz VCQNPIRJRMCQFO-ZIAGYGMSSA-N 2 3 299.463 0.262 20 0 CCADHP [NH3+]CCOCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420378977 389994611 /nfs/dbraw/zinc/99/46/11/389994611.db2.gz UUYZTCVVBXJKJG-UKRRQHHQSA-N 2 3 267.417 0.910 20 0 CCADHP [NH3+]CCOCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420378977 389994612 /nfs/dbraw/zinc/99/46/12/389994612.db2.gz UUYZTCVVBXJKJG-UKRRQHHQSA-N 2 3 267.417 0.910 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652340936 412031815 /nfs/dbraw/zinc/03/18/15/412031815.db2.gz OADLMTVUKZDINP-ILXRZTDVSA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652340936 412031817 /nfs/dbraw/zinc/03/18/17/412031817.db2.gz OADLMTVUKZDINP-ILXRZTDVSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652340936 412031818 /nfs/dbraw/zinc/03/18/18/412031818.db2.gz OADLMTVUKZDINP-ILXRZTDVSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]CCCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363873 412039736 /nfs/dbraw/zinc/03/97/36/412039736.db2.gz PWHAHEFKHMLABR-BFHYXJOUSA-N 2 3 255.406 0.957 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923500843 615100119 /nfs/dbraw/zinc/10/01/19/615100119.db2.gz YKUDANORDRRPIG-ZIAGYGMSSA-N 2 3 296.459 0.504 20 0 CCADHP C[N@H+](CCCCCC[NH3+])C[C@H]1CCCN(C(=O)CN)C1 ZINC000873231924 616072346 /nfs/dbraw/zinc/07/23/46/616072346.db2.gz ZJTGXQRAGIPAAI-CQSZACIVSA-N 2 3 284.448 0.635 20 0 CCADHP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCCN(C(=O)CN)C1 ZINC000873231924 616072347 /nfs/dbraw/zinc/07/23/47/616072347.db2.gz ZJTGXQRAGIPAAI-CQSZACIVSA-N 2 3 284.448 0.635 20 0 CCADHP [NH3+]C[C@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903717086 634630114 /nfs/dbraw/zinc/63/01/14/634630114.db2.gz ZLOLQAJGXBYWDN-OLZOCXBDSA-N 2 3 253.390 0.426 20 0 CCADHP [NH3+]C[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903713551 634633714 /nfs/dbraw/zinc/63/37/14/634633714.db2.gz VLRFRFDBEXZCFC-KGLIPLIRSA-N 2 3 267.417 0.816 20 0 CCADHP CC[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000903747709 634634901 /nfs/dbraw/zinc/63/49/01/634634901.db2.gz VEFZNBMVEQCSEV-QPSCCSFWSA-N 2 3 267.417 0.814 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903750258 634636674 /nfs/dbraw/zinc/63/66/74/634636674.db2.gz WEVWEISQKPCQHE-KKUMJFAQSA-N 2 3 267.417 0.958 20 0 CCADHP C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978913 634701459 /nfs/dbraw/zinc/70/14/59/634701459.db2.gz ZBUQFYJXPAWUHH-MGPQQGTHSA-N 2 3 292.431 0.619 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925476813 638123698 /nfs/dbraw/zinc/12/36/98/638123698.db2.gz AJYJJMPXFMHQLH-SQWLQELKSA-N 2 3 280.460 0.885 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925476813 638123701 /nfs/dbraw/zinc/12/37/01/638123701.db2.gz AJYJJMPXFMHQLH-SQWLQELKSA-N 2 3 280.460 0.885 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[NH2+]CCCCCC[NH3+])C1 ZINC000843129245 643005014 /nfs/dbraw/zinc/00/50/14/643005014.db2.gz OKIKGRAZYJYNON-ZDUSSCGKSA-N 2 3 270.421 0.292 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925817233 648464423 /nfs/dbraw/zinc/46/44/23/648464423.db2.gz ONYRZQKFYNHVDB-BZUAXINKSA-N 2 3 280.460 0.920 20 0 CCADHP N[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C12CCC2 ZINC000925840015 648465300 /nfs/dbraw/zinc/46/53/00/648465300.db2.gz FQTMTOMVIUZXGH-CABCVRRESA-N 2 3 280.460 0.921 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157811042 801491200 /nfs/dbraw/zinc/49/12/00/801491200.db2.gz ZDYOIRNJWYVTOO-RDBSUJKOSA-N 2 3 284.448 0.678 20 0 CCADHP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157841144 801497977 /nfs/dbraw/zinc/49/79/77/801497977.db2.gz FFPMQTFXOPLCLU-SRVKXCTJSA-N 2 3 256.394 0.029 20 0 CCADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157841146 801498363 /nfs/dbraw/zinc/49/83/63/801498363.db2.gz FFPMQTFXOPLCLU-UTUOFQBUSA-N 2 3 256.394 0.029 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060525 802079740 /nfs/dbraw/zinc/07/97/40/802079740.db2.gz CAWQRRSSZUAFNX-MELADBBJSA-N 2 3 284.448 0.774 20 0 CCADHP CN(C)CCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161443475 802154173 /nfs/dbraw/zinc/15/41/73/802154173.db2.gz VRZZJAUVRFYSSK-OAHLLOKOSA-N 2 3 296.459 0.518 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954586 804458197 /nfs/dbraw/zinc/45/81/97/804458197.db2.gz MDOHODXQUYZVSO-AWEZNQCLSA-N 2 3 284.448 0.871 20 0 CCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220253728 804551906 /nfs/dbraw/zinc/55/19/06/804551906.db2.gz AOCRSFVSZSOUMX-ZDUSSCGKSA-N 2 3 296.459 0.565 20 0 CCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220253728 804551910 /nfs/dbraw/zinc/55/19/10/804551910.db2.gz AOCRSFVSZSOUMX-ZDUSSCGKSA-N 2 3 296.459 0.565 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394835 804594638 /nfs/dbraw/zinc/59/46/38/804594638.db2.gz NRGWBXBUEKYULB-LBPRGKRZSA-N 2 3 268.405 0.045 20 0 CCADHP [NH3+]C1(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCCC1 ZINC001220494634 804615150 /nfs/dbraw/zinc/61/51/50/804615150.db2.gz PNHHZRGYAYJHCC-LBPRGKRZSA-N 2 3 280.416 0.248 20 0 CCADHP [NH3+]C1(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCCC1 ZINC001220494634 804615154 /nfs/dbraw/zinc/61/51/54/804615154.db2.gz PNHHZRGYAYJHCC-LBPRGKRZSA-N 2 3 280.416 0.248 20 0 CCADHP C[NH+]1C(C)(C)CC(NC(=O)[C@H](N)CCC[NH3+])CC1(C)C ZINC001220508896 804617106 /nfs/dbraw/zinc/61/71/06/804617106.db2.gz BYRVPNGJAKBZLE-GFCCVEGCSA-N 2 3 284.448 0.820 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001221391721 804799448 /nfs/dbraw/zinc/79/94/48/804799448.db2.gz ZUUUFRVXDNGFCG-NEPJUHHUSA-N 2 3 283.420 0.438 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406255 804808364 /nfs/dbraw/zinc/80/83/64/804808364.db2.gz DYPCZUUCMIFQEY-BPLDGKMQSA-N 2 3 296.459 0.548 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406255 804808370 /nfs/dbraw/zinc/80/83/70/804808370.db2.gz DYPCZUUCMIFQEY-BPLDGKMQSA-N 2 3 296.459 0.548 20 0 CCADHP C(CN1CCCCC1)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085908 804864671 /nfs/dbraw/zinc/86/46/71/804864671.db2.gz OKDFEWHQHNBCKB-UHFFFAOYSA-N 2 3 280.460 0.890 20 0 CCADHP C(CN1CCCCC1)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085908 804864674 /nfs/dbraw/zinc/86/46/74/804864674.db2.gz OKDFEWHQHNBCKB-UHFFFAOYSA-N 2 3 280.460 0.890 20 0 CCADHP c1cc(CN2CCNC3(CC[NH2+]CC3)C2)cc2c1C[NH2+]C2 ZINC001222100187 804870884 /nfs/dbraw/zinc/87/08/84/804870884.db2.gz XZISNVPBUYQEPP-UHFFFAOYSA-N 2 3 286.423 0.817 20 0 CCADHP FC(F)(F)[C@]1(CN[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246108617 807155149 /nfs/dbraw/zinc/15/51/49/807155149.db2.gz CRWKMZZWDHSHTR-GHMZBOCLSA-N 2 3 292.349 0.212 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246156207 807171340 /nfs/dbraw/zinc/17/13/40/807171340.db2.gz KENFASZKVBHGQC-KBUPBQIOSA-N 2 3 267.417 0.875 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246369389 807236032 /nfs/dbraw/zinc/23/60/32/807236032.db2.gz DSQXZHNHUUJVJY-NEPJUHHUSA-N 2 3 252.406 0.058 20 0 CCADHP C[C@@H]1CC[C@H](CN)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588869 807307767 /nfs/dbraw/zinc/30/77/67/807307767.db2.gz BCVFBYQPAQYEBU-JHJVBQTASA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1CC[C@H](CN)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588869 807307776 /nfs/dbraw/zinc/30/77/76/807307776.db2.gz BCVFBYQPAQYEBU-JHJVBQTASA-N 2 3 252.406 0.140 20 0 CCADHP [NH3+]C1CCN(C2CCN([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC001246970286 807443291 /nfs/dbraw/zinc/44/32/91/807443291.db2.gz TZVSOYMJQCMVDO-HNNXBMFYSA-N 2 3 266.433 0.626 20 0 CCADHP [NH3+]C1CCN([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246975580 807444543 /nfs/dbraw/zinc/44/45/43/807444543.db2.gz LTQNIIKQFXZBED-QGPPMGRFSA-N 2 3 278.444 0.767 20 0 CCADHP [NH3+]CCCCN1CCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256074018 808468295 /nfs/dbraw/zinc/46/82/95/808468295.db2.gz IHYBGTKXDNKLFD-UHFFFAOYSA-N 2 3 280.460 0.970 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC(CC[NH3+])CC2)C1 ZINC000584722611 359196416 /nfs/dbraw/zinc/19/64/16/359196416.db2.gz BEKMRGXAZCDHFO-AWEZNQCLSA-N 2 3 282.432 0.245 20 0 CCADHP COC[C@@]1(CNC2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000414950558 285325060 /nfs/dbraw/zinc/32/50/60/285325060.db2.gz FKHKVHPVBSFOCE-RUXDESIVSA-N 2 3 255.406 0.862 20 0 CCADHP CC[N@@H+]1CC[C@@H](N(C)CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000435371242 389956674 /nfs/dbraw/zinc/95/66/74/389956674.db2.gz SZIBAMJGNRDDCR-HUUCEWRRSA-N 2 3 268.449 0.554 20 0 CCADHP CC[N@H+]1CC[C@@H](N(C)CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000435371242 389956676 /nfs/dbraw/zinc/95/66/76/389956676.db2.gz SZIBAMJGNRDDCR-HUUCEWRRSA-N 2 3 268.449 0.554 20 0 CCADHP CCN(CCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000420316427 389982660 /nfs/dbraw/zinc/98/26/60/389982660.db2.gz SRBBQFMBRZTBBP-AWEZNQCLSA-N 2 3 254.422 0.356 20 0 CCADHP CN1CCN(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1(C)C ZINC000647796896 390174859 /nfs/dbraw/zinc/17/48/59/390174859.db2.gz QTOJOQDCRUMAFX-HRCADAONSA-N 2 3 294.487 0.990 20 0 CCADHP CCO[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000650713810 397747636 /nfs/dbraw/zinc/74/76/36/397747636.db2.gz CQUHACDFPHZPMI-XJFOESAGSA-N 2 3 255.406 0.670 20 0 CCADHP CCO[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000650713810 397747639 /nfs/dbraw/zinc/74/76/39/397747639.db2.gz CQUHACDFPHZPMI-XJFOESAGSA-N 2 3 255.406 0.670 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662272699 414703749 /nfs/dbraw/zinc/70/37/49/414703749.db2.gz IKVDHIYGSBNZCW-LSDHHAIUSA-N 2 3 279.428 0.829 20 0 CCADHP CC[NH2+]CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662247328 414699265 /nfs/dbraw/zinc/69/92/65/414699265.db2.gz ZNBFBOZZBLOQJK-AWEZNQCLSA-N 2 3 267.417 0.829 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000665289172 415585634 /nfs/dbraw/zinc/58/56/34/415585634.db2.gz IIAPDPOVBHYRSG-UKRRQHHQSA-N 2 3 296.459 0.565 20 0 CCADHP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000423200839 278315790 /nfs/dbraw/zinc/31/57/90/278315790.db2.gz GQCYACXGGXYDSK-ZBFHGGJFSA-N 2 3 276.428 0.440 20 0 CCADHP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753143 614033023 /nfs/dbraw/zinc/03/30/23/614033023.db2.gz RRDWCMQORFDGDV-SGMGOOAPSA-N 2 3 255.406 0.718 20 0 CCADHP CC[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(C)C ZINC000870020637 615604425 /nfs/dbraw/zinc/60/44/25/615604425.db2.gz SDOCUFHWJJYVMS-RBSFLKMASA-N 2 3 298.475 0.524 20 0 CCADHP C(C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)[C@H]1CNCCO1 ZINC001236314230 806566549 /nfs/dbraw/zinc/56/65/49/806566549.db2.gz LYPICQSUQIUUFI-MJBXVCDLSA-N 2 3 253.390 0.296 20 0 CCADHP C(C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)[C@H]1CNCCO1 ZINC001236314230 806566554 /nfs/dbraw/zinc/56/65/54/806566554.db2.gz LYPICQSUQIUUFI-MJBXVCDLSA-N 2 3 253.390 0.296 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206135 799880501 /nfs/dbraw/zinc/88/05/01/799880501.db2.gz WXVQLCYZHBAUQS-CQSZACIVSA-N 2 3 282.432 0.291 20 0 CCADHP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001161306389 802121672 /nfs/dbraw/zinc/12/16/72/802121672.db2.gz JWZATLWNHQMRIP-ZDUSSCGKSA-N 2 3 291.399 0.105 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]12 ZINC001161412262 802148019 /nfs/dbraw/zinc/14/80/19/802148019.db2.gz IHPGXODSHJSRID-AAVRWANBSA-N 2 3 292.427 0.056 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]12 ZINC001161412262 802148022 /nfs/dbraw/zinc/14/80/22/802148022.db2.gz IHPGXODSHJSRID-AAVRWANBSA-N 2 3 292.427 0.056 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444060 802154215 /nfs/dbraw/zinc/15/42/15/802154215.db2.gz AZMDNSPXNBBUKC-LSDHHAIUSA-N 2 3 296.459 0.518 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937224 804162390 /nfs/dbraw/zinc/16/23/90/804162390.db2.gz OJGAYBVDACXLAH-HNNXBMFYSA-N 2 3 290.411 0.770 20 0 CCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001219980084 804463199 /nfs/dbraw/zinc/46/31/99/804463199.db2.gz BHIAEORRDGZXGH-OCCSQVGLSA-N 2 3 282.432 0.161 20 0 CCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001219980084 804463204 /nfs/dbraw/zinc/46/32/04/804463204.db2.gz BHIAEORRDGZXGH-OCCSQVGLSA-N 2 3 282.432 0.161 20 0 CCADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001220716928 804654551 /nfs/dbraw/zinc/65/45/51/804654551.db2.gz VEFDXSWAFFAJEI-FQUUOJAGSA-N 2 3 282.432 0.574 20 0 CCADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001220716928 804654553 /nfs/dbraw/zinc/65/45/53/804654553.db2.gz VEFDXSWAFFAJEI-FQUUOJAGSA-N 2 3 282.432 0.574 20 0 CCADHP C[C@H](CNC(=O)[C@H](N)C1CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001220765840 804661546 /nfs/dbraw/zinc/66/15/46/804661546.db2.gz GNRRTWBJTQYAQJ-GXTWGEPZSA-N 2 3 298.475 0.831 20 0 CCADHP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(C)(C)C[NH3+] ZINC001221394893 804796543 /nfs/dbraw/zinc/79/65/43/804796543.db2.gz XFPDOTOCQCOCIX-IUODEOHRSA-N 2 3 282.432 0.160 20 0 CCADHP O[C@@]1(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCCNC1 ZINC001246033923 807128937 /nfs/dbraw/zinc/12/89/37/807128937.db2.gz OILVTXWDXSHJEP-HOTGVXAUSA-N 2 3 281.444 0.955 20 0 CCADHP O[C@@]1(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)CCC[NH2+]C1 ZINC001246033923 807128943 /nfs/dbraw/zinc/12/89/43/807128943.db2.gz OILVTXWDXSHJEP-HOTGVXAUSA-N 2 3 281.444 0.955 20 0 CCADHP C[C@@H]1CC[C@@H](CN[C@H]2CCNC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246113182 807157021 /nfs/dbraw/zinc/15/70/21/807157021.db2.gz NJHYLQDOCQGNES-AGIUHOORSA-N 2 3 252.406 0.058 20 0 CCADHP C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1 ZINC001246136758 807162458 /nfs/dbraw/zinc/16/24/58/807162458.db2.gz DVTQLZAZMNRHCJ-UKRRQHHQSA-N 2 3 280.460 0.933 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@H](N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)C2 ZINC001246133464 807162701 /nfs/dbraw/zinc/16/27/01/807162701.db2.gz JNMUPDFXWOJYKQ-NJVJYBDUSA-N 2 3 265.401 0.485 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246138769 807164055 /nfs/dbraw/zinc/16/40/55/807164055.db2.gz OOXZGPLWEYVDOF-UKRRQHHQSA-N 2 3 280.460 0.933 20 0 CCADHP C1C[NH2+]C[C@@H](N[C@H]2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001246255652 807198220 /nfs/dbraw/zinc/19/82/20/807198220.db2.gz LKDBALHBFZQXFM-STQMWFEESA-N 2 3 253.390 0.629 20 0 CCADHP CC(C)(C)N1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246417715 807248369 /nfs/dbraw/zinc/24/83/69/807248369.db2.gz OOECHWHGCRHPAR-ZDUSSCGKSA-N 2 3 284.448 0.822 20 0 CCADHP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@@H]([NH3+])CC3)C[C@H](C1)N2 ZINC001246540126 807277106 /nfs/dbraw/zinc/27/71/06/807277106.db2.gz FSVIXKXZMFLFGN-VCNCWYJPSA-N 2 3 295.427 0.872 20 0 CCADHP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@@H]([NH3+])CC3)C[C@H](C1)N2 ZINC001246540126 807277112 /nfs/dbraw/zinc/27/71/12/807277112.db2.gz FSVIXKXZMFLFGN-VCNCWYJPSA-N 2 3 295.427 0.872 20 0 CCADHP C[NH2+]C[C@@H]1CCCN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246547949 807282649 /nfs/dbraw/zinc/28/26/49/807282649.db2.gz HBSOAXFNVTVGSC-QWHCGFSZSA-N 2 3 252.406 0.012 20 0 CCADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693905 807357207 /nfs/dbraw/zinc/35/72/07/807357207.db2.gz RFMLAKMQQQMFMR-MCIONIFRSA-N 2 3 282.407 0.104 20 0 CCADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693905 807357215 /nfs/dbraw/zinc/35/72/15/807357215.db2.gz RFMLAKMQQQMFMR-MCIONIFRSA-N 2 3 282.407 0.104 20 0 CCADHP CC1([NH3+])CN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001157634146 837189399 /nfs/dbraw/zinc/18/93/99/837189399.db2.gz VQIILUIZFGUKDF-LBPRGKRZSA-N 2 3 280.416 0.010 20 0 CCADHP CC1([NH3+])CN(C(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001157634146 837189402 /nfs/dbraw/zinc/18/94/02/837189402.db2.gz VQIILUIZFGUKDF-LBPRGKRZSA-N 2 3 280.416 0.010 20 0 CCADHP CC1([NH3+])CN(C(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001157634146 837189406 /nfs/dbraw/zinc/18/94/06/837189406.db2.gz VQIILUIZFGUKDF-LBPRGKRZSA-N 2 3 280.416 0.010 20 0 CCADHP FC(F)(F)[C@]1(CN[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246108622 839621066 /nfs/dbraw/zinc/62/10/66/839621066.db2.gz CRWKMZZWDHSHTR-WDEREUQCSA-N 2 3 292.349 0.212 20 0 CCADHP C[C@@H]1CC[C@@H](CN[C@@H]2CCOC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246112104 839624233 /nfs/dbraw/zinc/62/42/33/839624233.db2.gz KUESUKWFNNUFKV-UPJWGTAASA-N 2 3 253.390 0.485 20 0 CCADHP NC[C@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580319 840115810 /nfs/dbraw/zinc/11/58/10/840115810.db2.gz MVYCXSOIQHRQGP-XDQVBPFNSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580319 840115814 /nfs/dbraw/zinc/11/58/14/840115814.db2.gz MVYCXSOIQHRQGP-XDQVBPFNSA-N 2 3 253.390 0.160 20 0 CCADHP C[C@@H]1C[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246979327 840670849 /nfs/dbraw/zinc/67/08/49/840670849.db2.gz YIJACEQRVQJKFC-VHDGCEQUSA-N 2 3 266.433 0.624 20 0 CCADHP NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC001120269200 857025933 /nfs/dbraw/zinc/02/59/33/857025933.db2.gz OHBCRJZSOSRFEZ-TZMCWYRMSA-N 2 3 254.422 0.517 20 0 CCADHP C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607150960 363342189 /nfs/dbraw/zinc/34/21/89/363342189.db2.gz TWWUKFARPBZCGD-WNKDZCFJSA-N 2 3 292.471 0.459 20 0 CCADHP C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607150960 363342194 /nfs/dbraw/zinc/34/21/94/363342194.db2.gz TWWUKFARPBZCGD-WNKDZCFJSA-N 3 3 292.471 0.459 20 0 CCADHP C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607150960 363342202 /nfs/dbraw/zinc/34/22/02/363342202.db2.gz TWWUKFARPBZCGD-WNKDZCFJSA-N 3 3 292.471 0.459 20 0 CCADHP [NH3+]CCCOC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000567872347 358603566 /nfs/dbraw/zinc/60/35/66/358603566.db2.gz UIGKISLHZNFWLJ-ZDUSSCGKSA-N 2 3 255.406 0.816 20 0 CCADHP [NH3+]CCCOC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000567872347 358603568 /nfs/dbraw/zinc/60/35/68/358603568.db2.gz UIGKISLHZNFWLJ-ZDUSSCGKSA-N 2 3 255.406 0.816 20 0 CCADHP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563601163 291240837 /nfs/dbraw/zinc/24/08/37/291240837.db2.gz MIPKBIQGRITAOH-KBPBESRZSA-N 2 3 299.463 0.119 20 0 CCADHP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000564211393 291270369 /nfs/dbraw/zinc/27/03/69/291270369.db2.gz FFTPBKHRAMGZML-HZPDHXFCSA-N 2 3 296.459 0.110 20 0 CCADHP C(O[C@H]1CC[NH2+]C1)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000629590191 369730671 /nfs/dbraw/zinc/73/06/71/369730671.db2.gz OUCXNNAQAKTEST-CABCVRRESA-N 2 3 267.417 0.686 20 0 CCADHP CC[NH+]1CCN(CCCN[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422852781 389491863 /nfs/dbraw/zinc/49/18/63/389491863.db2.gz BHLDZEGGGKCWCU-CABCVRRESA-N 2 3 268.449 0.744 20 0 CCADHP CC[C@H](NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[NH2+]1 ZINC000422973060 389512765 /nfs/dbraw/zinc/51/27/65/389512765.db2.gz BCDZRTVHEWXWLU-GJZGRUSLSA-N 2 3 269.433 0.811 20 0 CCADHP C[C@@H](NCC1CC[NH+](CCO)CC1)[C@H]1CCCC[NH2+]1 ZINC000422975752 389514276 /nfs/dbraw/zinc/51/42/76/389514276.db2.gz HFBSJRMXBJGJTK-UKRRQHHQSA-N 2 3 269.433 0.811 20 0 CCADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000423200837 389552475 /nfs/dbraw/zinc/55/24/75/389552475.db2.gz GQCYACXGGXYDSK-GOEBONIOSA-N 2 3 276.428 0.440 20 0 CCADHP CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788406 390171527 /nfs/dbraw/zinc/17/15/27/390171527.db2.gz JFIOZFCLODROMB-IXDOHACOSA-N 2 3 294.487 0.992 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000572263968 390775652 /nfs/dbraw/zinc/77/56/52/390775652.db2.gz JAOQJHDTSKPTNU-UONOGXRCSA-N 2 3 299.463 0.249 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)C1 ZINC000652346279 412034546 /nfs/dbraw/zinc/03/45/46/412034546.db2.gz XTCAZJPONBTFIZ-BARDWOONSA-N 2 3 267.417 0.814 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@H]2CC[NH2+]C2)C1 ZINC000652360599 412038128 /nfs/dbraw/zinc/03/81/28/412038128.db2.gz MGNZBTGTZOVNLD-YJNKXOJESA-N 2 3 267.417 0.957 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662273311 414703614 /nfs/dbraw/zinc/70/36/14/414703614.db2.gz LORMLWLQBAUMDS-ZNMIVQPWSA-N 2 3 295.427 0.336 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662272696 414703867 /nfs/dbraw/zinc/70/38/67/414703867.db2.gz IKVDHIYGSBNZCW-GJZGRUSLSA-N 2 3 279.428 0.829 20 0 CCADHP CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295153 414707404 /nfs/dbraw/zinc/70/74/04/414707404.db2.gz TXCWVDJQPKBXSB-LSDHHAIUSA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295153 414707405 /nfs/dbraw/zinc/70/74/05/414707405.db2.gz TXCWVDJQPKBXSB-LSDHHAIUSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295153 414707406 /nfs/dbraw/zinc/70/74/06/414707406.db2.gz TXCWVDJQPKBXSB-LSDHHAIUSA-N 2 3 269.433 0.668 20 0 CCADHP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCNCCC12CCC2 ZINC000923426511 613222027 /nfs/dbraw/zinc/22/20/27/613222027.db2.gz NEZNEVWIQAFGSE-CYBMUJFWSA-N 2 3 265.401 0.583 20 0 CCADHP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCNCCC12CCC2 ZINC000923426511 613222029 /nfs/dbraw/zinc/22/20/29/613222029.db2.gz NEZNEVWIQAFGSE-CYBMUJFWSA-N 2 3 265.401 0.583 20 0 CCADHP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923484132 614325967 /nfs/dbraw/zinc/32/59/67/614325967.db2.gz WDMUKPAEVCRMAF-CQSZACIVSA-N 2 3 296.459 0.646 20 0 CCADHP [NH3+]C[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903713552 634633430 /nfs/dbraw/zinc/63/34/30/634633430.db2.gz VLRFRFDBEXZCFC-UONOGXRCSA-N 2 3 267.417 0.816 20 0 CCADHP [NH3+]CCCCCCC[NH+]1CCC(NCCO)CC1 ZINC000866682706 645572497 /nfs/dbraw/zinc/57/24/97/645572497.db2.gz RBFXEOWYECFOBP-UHFFFAOYSA-N 2 3 257.422 0.942 20 0 CCADHP C[C@H]1[NH2+]CCC[C@H]1NCCC[N@@H+]1CCCN(C)CC1 ZINC000925609275 648447200 /nfs/dbraw/zinc/44/72/00/648447200.db2.gz RRSJZPZCDMQNDH-HUUCEWRRSA-N 2 3 268.449 0.744 20 0 CCADHP C[C@H]1[NH2+]CCC[C@H]1NCCC[N@H+]1CCCN(C)CC1 ZINC000925609275 648447204 /nfs/dbraw/zinc/44/72/04/648447204.db2.gz RRSJZPZCDMQNDH-HUUCEWRRSA-N 2 3 268.449 0.744 20 0 CCADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817282 648464589 /nfs/dbraw/zinc/46/45/89/648464589.db2.gz PHVGWPZMVFLLFZ-JSGCOSHPSA-N 2 3 254.422 0.517 20 0 CCADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817282 648464592 /nfs/dbraw/zinc/46/45/92/648464592.db2.gz PHVGWPZMVFLLFZ-JSGCOSHPSA-N 2 3 254.422 0.517 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158425612 801645520 /nfs/dbraw/zinc/64/55/20/801645520.db2.gz XOJPIFNUVYFYQO-RWMBFGLXSA-N 2 3 268.405 0.008 20 0 CCADHP CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161331199 802127989 /nfs/dbraw/zinc/12/79/89/802127989.db2.gz UBEWCMRWEUANTG-KGLIPLIRSA-N 2 3 284.448 0.646 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161446646 802155644 /nfs/dbraw/zinc/15/56/44/802155644.db2.gz TWTGWOFKNXZVHY-KKUMJFAQSA-N 2 3 296.459 0.517 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219637494 804384719 /nfs/dbraw/zinc/38/47/19/804384719.db2.gz DCWLJFBLPXGDQW-AVGNSLFASA-N 2 3 288.411 0.298 20 0 CCADHP C[C@@H](CNC(=O)[C@@H](N)CCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220763534 804662101 /nfs/dbraw/zinc/66/21/01/804662101.db2.gz FSHGAYYBGSVQFV-NEPJUHHUSA-N 2 3 272.437 0.570 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220919205 804700558 /nfs/dbraw/zinc/70/05/58/804700558.db2.gz YCKGKKWMGORCSK-OCCSQVGLSA-N 2 3 282.432 0.576 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220919205 804700562 /nfs/dbraw/zinc/70/05/62/804700562.db2.gz YCKGKKWMGORCSK-OCCSQVGLSA-N 2 3 282.432 0.576 20 0 CCADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001221395237 804800694 /nfs/dbraw/zinc/80/06/94/804800694.db2.gz PJOBUNYNRRWRCO-MJBXVCDLSA-N 2 3 284.448 0.822 20 0 CCADHP C[NH+]1CCC(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001222491806 804904415 /nfs/dbraw/zinc/90/44/15/804904415.db2.gz JASUFXMKNSNNHQ-GJZGRUSLSA-N 2 3 266.433 0.354 20 0 CCADHP CC[C@H]1CC(NCCC2(O)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246116079 807158720 /nfs/dbraw/zinc/15/87/20/807158720.db2.gz DLCDMEYVHDKIHN-RYUDHWBXSA-N 2 3 255.406 0.610 20 0 CCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CCC[NH2+]C3)C[C@H](C1)N2 ZINC001246199037 807184376 /nfs/dbraw/zinc/18/43/76/807184376.db2.gz TVXISKZGFWASMT-RUOPDXTDSA-N 2 3 295.427 0.648 20 0 CCADHP C1CC([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246257047 807199601 /nfs/dbraw/zinc/19/96/01/807199601.db2.gz RDKSNTYNSKSDIA-CYBMUJFWSA-N 2 3 253.390 0.629 20 0 CCADHP CN(CC[NH3+])CC[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246285266 807208586 /nfs/dbraw/zinc/20/85/86/807208586.db2.gz QVENDEBCKMUEPL-IRXDYDNUSA-N 2 3 290.455 0.830 20 0 CCADHP C1C[C@H]2CC(N3CCOCC4(CC[NH2+]CC4)C3)C[C@@H]1[NH2+]2 ZINC001246617819 807327514 /nfs/dbraw/zinc/32/75/14/807327514.db2.gz ZOPHOVSDDMMFSB-YIONKMFJSA-N 2 3 279.428 0.971 20 0 CCADHP C1CC2(C[NH2+]1)CCC(N1CCN[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246638732 807340678 /nfs/dbraw/zinc/34/06/78/807340678.db2.gz CNAFGXLIPUWNMV-GPANFISMSA-N 2 3 278.444 0.546 20 0 CCADHP C[NH2+]C1CCC(N2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246647023 807344568 /nfs/dbraw/zinc/34/45/68/807344568.db2.gz YHEQPHUGIWZAOK-RUXDESIVSA-N 2 3 252.406 0.154 20 0 CCADHP [NH3+]C1CCN([C@@H]2CCN(C3CC[NH2+]CC3)C2)CC1 ZINC001246975665 807444680 /nfs/dbraw/zinc/44/46/80/807444680.db2.gz NFHCESJOMZLUPB-CQSZACIVSA-N 2 3 252.406 0.236 20 0 CCADHP N=C(N)N(C(=O)[C@H]([NH3+])CCC[NH3+])c1ccccc1F ZINC001220106517 811715235 /nfs/dbraw/zinc/71/52/35/811715235.db2.gz PYHNTWHJRXNOEU-SECBINFHSA-N 2 3 267.308 0.118 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405877 811769689 /nfs/dbraw/zinc/76/96/89/811769689.db2.gz CEYLZSUIPQGDBM-JHJVBQTASA-N 2 3 270.421 0.288 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405877 811769694 /nfs/dbraw/zinc/76/96/94/811769694.db2.gz CEYLZSUIPQGDBM-JHJVBQTASA-N 2 3 270.421 0.288 20 0 CCADHP F[C@]1(CN[C@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111498 839622372 /nfs/dbraw/zinc/62/23/72/839622372.db2.gz JCSRKVIHQHVPLH-QWHCGFSZSA-N 2 3 270.396 0.152 20 0 CCADHP C1CN(C2CC[NH2+]CC2)C[C@@H]1[NH2+][C@@H]1CCCNC1 ZINC001246371308 839825014 /nfs/dbraw/zinc/82/50/14/839825014.db2.gz JFFDJGFCAZEJEO-CHWSQXEVSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001332421488 904111699 /nfs/dbraw/zinc/11/16/99/904111699.db2.gz QQZWMEMPRAQMTP-TUAOUCFPSA-N 2 3 269.389 0.387 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329676085 916118109 /nfs/dbraw/zinc/11/81/09/916118109.db2.gz VODYRUSVVCZUFY-ZDUSSCGKSA-N 2 3 255.406 0.422 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329676085 916118117 /nfs/dbraw/zinc/11/81/17/916118117.db2.gz VODYRUSVVCZUFY-ZDUSSCGKSA-N 2 3 255.406 0.422 20 0 CCADHP CNC[C@@](C)(O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329676084 916118326 /nfs/dbraw/zinc/11/83/26/916118326.db2.gz VODYRUSVVCZUFY-CYBMUJFWSA-N 2 3 255.406 0.422 20 0 CCADHP CNC[C@@](C)(O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329676084 916118345 /nfs/dbraw/zinc/11/83/45/916118345.db2.gz VODYRUSVVCZUFY-CYBMUJFWSA-N 2 3 255.406 0.422 20 0 CCADHP COCC[NH2+]C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000563231456 291208110 /nfs/dbraw/zinc/20/81/10/291208110.db2.gz FIDBIJCLMCRNBW-UHFFFAOYSA-N 2 3 255.406 0.686 20 0 CCADHP COCC1(C[NH2+]C[C@H](CN)C(C)C)CC[NH2+]CC1 ZINC000634996112 372333437 /nfs/dbraw/zinc/33/34/37/372333437.db2.gz ZNOVXPXDEQYAKP-ZDUSSCGKSA-N 2 3 257.422 0.823 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641090844 376768335 /nfs/dbraw/zinc/76/83/35/376768335.db2.gz JGMVGAMJYSGGRZ-AWEZNQCLSA-N 2 3 299.463 0.263 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000422820500 389481548 /nfs/dbraw/zinc/48/15/48/389481548.db2.gz QYMYGEWYSCGHBC-ZBFHGGJFSA-N 2 3 282.476 0.990 20 0 CCADHP CC[NH+]1CCN(CCCN[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422852783 389492125 /nfs/dbraw/zinc/49/21/25/389492125.db2.gz BHLDZEGGGKCWCU-HUUCEWRRSA-N 2 3 268.449 0.744 20 0 CCADHP C[C@@H]([NH3+])C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420290914 389979120 /nfs/dbraw/zinc/97/91/20/389979120.db2.gz JUQSAUMCTPVLRN-COXVUDFISA-N 2 3 291.439 0.977 20 0 CCADHP C[C@@H]([NH3+])C1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420290914 389979123 /nfs/dbraw/zinc/97/91/23/389979123.db2.gz JUQSAUMCTPVLRN-COXVUDFISA-N 2 3 291.439 0.977 20 0 CCADHP [NH3+]CCOCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420378978 389994758 /nfs/dbraw/zinc/99/47/58/389994758.db2.gz UUYZTCVVBXJKJG-ZFWWWQNUSA-N 2 3 267.417 0.910 20 0 CCADHP [NH3+]CCOCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420378978 389994760 /nfs/dbraw/zinc/99/47/60/389994760.db2.gz UUYZTCVVBXJKJG-ZFWWWQNUSA-N 2 3 267.417 0.910 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000572263966 390775683 /nfs/dbraw/zinc/77/56/83/390775683.db2.gz JAOQJHDTSKPTNU-KBPBESRZSA-N 2 3 299.463 0.249 20 0 CCADHP [NH3+]CCOCCN1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000357090717 144058996 /nfs/dbraw/zinc/05/89/96/144058996.db2.gz RTILTYPCDKXUJF-LSDHHAIUSA-N 2 3 263.385 0.636 20 0 CCADHP [NH3+]CCOCCN1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000357090709 144059137 /nfs/dbraw/zinc/05/91/37/144059137.db2.gz RTILTYPCDKXUJF-HUUCEWRRSA-N 2 3 263.385 0.636 20 0 CCADHP CN1CCC(O)(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400977479 411779691 /nfs/dbraw/zinc/77/96/91/411779691.db2.gz HAVWUOREGLTDIC-BFHYXJOUSA-N 2 3 267.417 0.421 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000665289171 415587834 /nfs/dbraw/zinc/58/78/34/415587834.db2.gz IIAPDPOVBHYRSG-HIFRSBDPSA-N 2 3 296.459 0.565 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582611088 329116461 /nfs/dbraw/zinc/11/64/61/329116461.db2.gz LUAPDNPZDAIUBI-UONOGXRCSA-N 2 3 255.406 0.278 20 0 CCADHP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCC([NH3+])CC1 ZINC000925817398 617177422 /nfs/dbraw/zinc/17/74/22/617177422.db2.gz RHKUJLLQMCELHS-RHSMWYFYSA-N 2 3 290.455 0.958 20 0 CCADHP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCCN1 ZINC000925815892 615818092 /nfs/dbraw/zinc/81/80/92/615818092.db2.gz BPUXYPFWWMKMRB-LSDHHAIUSA-N 2 3 268.449 0.920 20 0 CCADHP NCC1([C@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)CCC1 ZINC000903812675 634656205 /nfs/dbraw/zinc/65/62/05/634656205.db2.gz VWQXOCHKTXJLKC-OAHLLOKOSA-N 2 3 280.460 0.875 20 0 CCADHP NCC1([C@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)CCC1 ZINC000903812675 634656211 /nfs/dbraw/zinc/65/62/11/634656211.db2.gz VWQXOCHKTXJLKC-OAHLLOKOSA-N 2 3 280.460 0.875 20 0 CCADHP C[C@@H]1C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923497262 640167575 /nfs/dbraw/zinc/16/75/75/640167575.db2.gz DLFXTZXBVGTCTM-SIXLDLHFSA-N 2 3 291.439 0.834 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923497262 640167582 /nfs/dbraw/zinc/16/75/82/640167582.db2.gz DLFXTZXBVGTCTM-SIXLDLHFSA-N 2 3 291.439 0.834 20 0 CCADHP CC1(CN2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235051729 806352553 /nfs/dbraw/zinc/35/25/53/806352553.db2.gz ALDUXEGOUSFQHX-AWEZNQCLSA-N 2 3 252.406 0.013 20 0 CCADHP C[C@@H]([NH3+])CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001236434445 806591656 /nfs/dbraw/zinc/59/16/56/806591656.db2.gz UBBKQXVIZKEQJM-CYBMUJFWSA-N 2 3 254.422 0.293 20 0 CCADHP Cc1c[nH+]c(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)cc1N ZINC001158271295 801609947 /nfs/dbraw/zinc/60/99/47/801609947.db2.gz ZMRJKJDGWZZTDX-LBPRGKRZSA-N 2 3 275.400 0.974 20 0 CCADHP Cc1c[nH+]c(N2CCC([N@H+]3CC[C@H](N)C3)CC2)cc1N ZINC001158271295 801609949 /nfs/dbraw/zinc/60/99/49/801609949.db2.gz ZMRJKJDGWZZTDX-LBPRGKRZSA-N 2 3 275.400 0.974 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060523 802079714 /nfs/dbraw/zinc/07/97/14/802079714.db2.gz CAWQRRSSZUAFNX-HZSPNIEDSA-N 2 3 284.448 0.774 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161411836 802147838 /nfs/dbraw/zinc/14/78/38/802147838.db2.gz BJWPVPVPSZHMQA-CRWXNKLISA-N 2 3 282.432 0.241 20 0 CCADHP CN(C)CCN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447549 802155267 /nfs/dbraw/zinc/15/52/67/802155267.db2.gz XWXKLFLUFXNXNI-UKRRQHHQSA-N 2 3 282.432 0.271 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001219920205 804448343 /nfs/dbraw/zinc/44/83/43/804448343.db2.gz BGVWQVQVVOSIOC-LBPRGKRZSA-N 2 3 258.410 0.291 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060667 804725129 /nfs/dbraw/zinc/72/51/29/804725129.db2.gz JRSKTNWVUHCBDE-GFCCVEGCSA-N 2 3 268.336 0.184 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060668 804725206 /nfs/dbraw/zinc/72/52/06/804725206.db2.gz JRSKTNWVUHCBDE-LBPRGKRZSA-N 2 3 268.336 0.184 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001221391071 804798623 /nfs/dbraw/zinc/79/86/23/804798623.db2.gz WECOJEGWCJVIPN-LBPRGKRZSA-N 2 3 283.420 0.440 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001221391722 804799162 /nfs/dbraw/zinc/79/91/62/804799162.db2.gz ZUUUFRVXDNGFCG-NWDGAFQWSA-N 2 3 283.420 0.438 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406258 804806292 /nfs/dbraw/zinc/80/62/92/804806292.db2.gz DYPCZUUCMIFQEY-VHDGCEQUSA-N 2 3 296.459 0.548 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406258 804806305 /nfs/dbraw/zinc/80/63/05/804806305.db2.gz DYPCZUUCMIFQEY-VHDGCEQUSA-N 2 3 296.459 0.548 20 0 CCADHP O[C@@]1(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCNC[C@@H]1F ZINC001246079221 807145447 /nfs/dbraw/zinc/14/54/47/807145447.db2.gz CYJLMVIKDSDBBY-GOEBONIOSA-N 2 3 299.434 0.951 20 0 CCADHP C[C@@H]1CC[C@@H](NCC[C@H]2CCOC23C[NH2+]C3)C[NH2+]1 ZINC001246139917 807163436 /nfs/dbraw/zinc/16/34/36/807163436.db2.gz YBTQOBKLXPRCIL-FRRDWIJNSA-N 2 3 253.390 0.485 20 0 CCADHP C[NH2+]CC[C@H](C)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138209 807164062 /nfs/dbraw/zinc/16/40/62/807164062.db2.gz AYBUNGJUVCDHRL-QWHCGFSZSA-N 2 3 254.422 0.448 20 0 CCADHP [NH3+]CCc1cn([C@H]2CCNC3(C[NH2+]C3)C2)c2ccncc12 ZINC001246357695 807232098 /nfs/dbraw/zinc/23/20/98/807232098.db2.gz ABMQWKCRHJYBAJ-ZDUSSCGKSA-N 2 3 285.395 0.804 20 0 CCADHP C1C[C@H](N2CCC([NH2+]C3CCNCC3)CC2)C[NH2+]1 ZINC001246378640 807239167 /nfs/dbraw/zinc/23/91/67/807239167.db2.gz XXPWNSJHIAIGCC-AWEZNQCLSA-N 2 3 252.406 0.154 20 0 CCADHP [NH3+]C1(CC2CC2)CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246376630 807239399 /nfs/dbraw/zinc/23/93/99/807239399.db2.gz MVHIWQVITRJNMH-AWEZNQCLSA-N 2 3 278.444 0.674 20 0 CCADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563759 807291956 /nfs/dbraw/zinc/29/19/56/807291956.db2.gz LRRFKCSBPZAUMH-AGIUHOORSA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563759 807291959 /nfs/dbraw/zinc/29/19/59/807291959.db2.gz LRRFKCSBPZAUMH-AGIUHOORSA-N 2 3 252.406 0.140 20 0 CCADHP [NH3+]CCSCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683977 808548482 /nfs/dbraw/zinc/54/84/82/808548482.db2.gz JULHPKSXFSMLKO-UHFFFAOYSA-N 2 3 287.473 0.911 20 0 CCADHP CN(C)CCN(C(=O)C1CC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444478 811602797 /nfs/dbraw/zinc/60/27/97/811602797.db2.gz IODVSXFFJYSNCP-CQSZACIVSA-N 2 3 294.443 0.128 20 0 CCADHP C[C@@H]1CC[N@H+](CC[C@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC001205602743 845868607 /nfs/dbraw/zinc/86/86/07/845868607.db2.gz LZGQCVDAXMNXMT-MCIONIFRSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1CC[N@@H+](CC[C@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC001205602743 845868615 /nfs/dbraw/zinc/86/86/15/845868615.db2.gz LZGQCVDAXMNXMT-MCIONIFRSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000557236871 291028246 /nfs/dbraw/zinc/02/82/46/291028246.db2.gz JTQJHJNNEWQJNV-ZDUSSCGKSA-N 2 3 287.452 0.249 20 0 CCADHP [NH3+][C@H]1CCCO[C@H]1C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000564211392 291270365 /nfs/dbraw/zinc/27/03/65/291270365.db2.gz FFTPBKHRAMGZML-HOTGVXAUSA-N 2 3 296.459 0.110 20 0 CCADHP COCC1(C[NH2+]C[C@@H](CN)C(C)C)CC[NH2+]CC1 ZINC000634996111 372332614 /nfs/dbraw/zinc/33/26/14/372332614.db2.gz ZNOVXPXDEQYAKP-CYBMUJFWSA-N 2 3 257.422 0.823 20 0 CCADHP COCC1(CNC[C@]2(C)CC[NH2+]C2)CC[NH2+]CC1 ZINC000574878549 335053170 /nfs/dbraw/zinc/05/31/70/335053170.db2.gz VLPGLIMQKDVQJP-CYBMUJFWSA-N 2 3 255.406 0.592 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423203761 389552381 /nfs/dbraw/zinc/55/23/81/389552381.db2.gz NIXYOQMAQUFNDQ-SOUVJXGZSA-N 2 3 266.433 0.354 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423203761 389552383 /nfs/dbraw/zinc/55/23/83/389552383.db2.gz NIXYOQMAQUFNDQ-SOUVJXGZSA-N 2 3 266.433 0.354 20 0 CCADHP COC[C@]1(CNC2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000414950556 389646754 /nfs/dbraw/zinc/64/67/54/389646754.db2.gz FKHKVHPVBSFOCE-JXQTWKCFSA-N 2 3 255.406 0.862 20 0 CCADHP C(CC1CC[NH2+]CC1)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000647967336 390233887 /nfs/dbraw/zinc/23/38/87/390233887.db2.gz VVCFWXOJRQDTHA-INIZCTEOSA-N 2 3 280.460 0.746 20 0 CCADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCN2CC[NH2+]CC2)C1 ZINC000652363657 412038348 /nfs/dbraw/zinc/03/83/48/412038348.db2.gz KNWVGZCVRIXHAO-OWCLPIDISA-N 2 3 296.459 0.252 20 0 CCADHP C[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662283210 414705770 /nfs/dbraw/zinc/70/57/70/414705770.db2.gz SDCGYZOLQPOFNJ-JHJVBQTASA-N 2 3 253.390 0.424 20 0 CCADHP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000575867959 335126246 /nfs/dbraw/zinc/12/62/46/335126246.db2.gz IWWKEBOZPZWSPZ-OLZOCXBDSA-N 2 3 282.432 0.243 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000576166095 335163728 /nfs/dbraw/zinc/16/37/28/335163728.db2.gz DHQFLCIRUCJHDJ-ZNMIVQPWSA-N 2 3 285.432 0.175 20 0 CCADHP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000578453136 335636699 /nfs/dbraw/zinc/63/66/99/335636699.db2.gz HLFPWBYGGUYTME-CTASWTNQSA-N 2 3 294.443 0.493 20 0 CCADHP CC(C)(C)[C@H](C[NH3+])NC[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753137 614033033 /nfs/dbraw/zinc/03/30/33/614033033.db2.gz RRDWCMQORFDGDV-DYEKYZERSA-N 2 3 255.406 0.718 20 0 CCADHP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1C[NH3+] ZINC000903788006 634653127 /nfs/dbraw/zinc/65/31/27/634653127.db2.gz AELZZUJGFZJGLF-MGPQQGTHSA-N 2 3 255.406 0.360 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920321 634687132 /nfs/dbraw/zinc/68/71/32/634687132.db2.gz SQNMGZSZXDPDMR-ZFWWWQNUSA-N 2 3 291.443 0.578 20 0 CCADHP Cc1c(C[C@@H](C[NH3+])CN[C@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920321 634687137 /nfs/dbraw/zinc/68/71/37/634687137.db2.gz SQNMGZSZXDPDMR-ZFWWWQNUSA-N 2 3 291.443 0.578 20 0 CCADHP CC[NH+]1CCC(NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925859466 648467228 /nfs/dbraw/zinc/46/72/28/648467228.db2.gz YQGDPFBCRHDHSP-AWEZNQCLSA-N 2 3 295.427 0.746 20 0 CCADHP [NH3+]C1CCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CC1 ZINC001160511868 801956263 /nfs/dbraw/zinc/95/62/63/801956263.db2.gz XBGKZVSJSZQWST-CYBMUJFWSA-N 2 3 294.443 0.400 20 0 CCADHP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)CC1 ZINC001160511868 801956268 /nfs/dbraw/zinc/95/62/68/801956268.db2.gz XBGKZVSJSZQWST-CYBMUJFWSA-N 2 3 294.443 0.400 20 0 CCADHP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)CC1 ZINC001160511868 801956274 /nfs/dbraw/zinc/95/62/74/801956274.db2.gz XBGKZVSJSZQWST-CYBMUJFWSA-N 2 3 294.443 0.400 20 0 CCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161049856 802076623 /nfs/dbraw/zinc/07/66/23/802076623.db2.gz IBIZWGYUHCWRBW-CABCVRRESA-N 2 3 298.475 0.987 20 0 CCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161049856 802076625 /nfs/dbraw/zinc/07/66/25/802076625.db2.gz IBIZWGYUHCWRBW-CABCVRRESA-N 2 3 298.475 0.987 20 0 CCADHP [NH3+]C[C@]1(F)CCCN(Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205559603 803147981 /nfs/dbraw/zinc/14/79/81/803147981.db2.gz SOKIHDJHKKZDOO-HNNXBMFYSA-N 2 3 295.406 0.682 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219952298 804456660 /nfs/dbraw/zinc/45/66/60/804456660.db2.gz RTBIUSUDUCITJP-ZDUSSCGKSA-N 2 3 270.421 0.481 20 0 CCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220253954 804552373 /nfs/dbraw/zinc/55/23/73/804552373.db2.gz HMPAMJIFXRXDDP-GFCCVEGCSA-N 2 3 270.421 0.017 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254335 804759214 /nfs/dbraw/zinc/75/92/14/804759214.db2.gz KUFPBFROYIRTCQ-KBPBESRZSA-N 2 3 284.448 0.550 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254335 804759220 /nfs/dbraw/zinc/75/92/20/804759220.db2.gz KUFPBFROYIRTCQ-KBPBESRZSA-N 2 3 284.448 0.550 20 0 CCADHP C(C1CC[NH2+]CC1)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491911 804904161 /nfs/dbraw/zinc/90/41/61/804904161.db2.gz JWTDRBGDDKUIPM-KBPBESRZSA-N 2 3 252.406 0.012 20 0 CCADHP C(C1CC[NH2+]CC1)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491911 804904163 /nfs/dbraw/zinc/90/41/63/804904163.db2.gz JWTDRBGDDKUIPM-KBPBESRZSA-N 2 3 252.406 0.012 20 0 CCADHP C[C@]1(C[NH3+])CCCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246022841 807122157 /nfs/dbraw/zinc/12/21/57/807122157.db2.gz PHNZSSIODBFYKS-LSDHHAIUSA-N 2 3 299.459 0.303 20 0 CCADHP C(N[C@H]1CCC[NH2+]C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124416 807159855 /nfs/dbraw/zinc/15/98/55/807159855.db2.gz FHNYKHVKDGGKSV-OLZOCXBDSA-N 2 3 253.390 0.487 20 0 CCADHP CC1CCN(CCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246162083 807172078 /nfs/dbraw/zinc/17/20/78/807172078.db2.gz NJIPNEKLCWRWEP-HNNXBMFYSA-N 2 3 280.460 0.792 20 0 CCADHP NC[C@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585040 807305601 /nfs/dbraw/zinc/30/56/01/807305601.db2.gz MVYCXSOIQHRQGP-DGAVXFQQSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585040 807305610 /nfs/dbraw/zinc/30/56/10/807305610.db2.gz MVYCXSOIQHRQGP-DGAVXFQQSA-N 2 3 253.390 0.160 20 0 CCADHP C1C[C@H]2CC(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246629694 807335614 /nfs/dbraw/zinc/33/56/14/807335614.db2.gz HHTJHYBKAVQTSI-MQAAVTGUSA-N 2 3 265.401 0.580 20 0 CCADHP C1C[C@]2(C[NH2+]1)CN(C1CCC3(CCC[NH2+]C3)CC1)CCN2 ZINC001246638666 807339747 /nfs/dbraw/zinc/33/97/47/807339747.db2.gz BUGFZMXVQREFRZ-JCYILVPMSA-N 2 3 292.471 0.936 20 0 CCADHP [NH3+]CCCN1CC[NH+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254841277 808284913 /nfs/dbraw/zinc/28/49/13/808284913.db2.gz VYRHXICMAWFOTA-OAHLLOKOSA-N 2 3 266.433 0.437 20 0 CCADHP COC[C@]1(CNC[C@@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000414943146 293292924 /nfs/dbraw/zinc/29/29/24/293292924.db2.gz CQEGGGOFBQSMHC-BFHYXJOUSA-N 2 3 255.406 0.733 20 0 CCADHP OCCNC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000631862804 370723134 /nfs/dbraw/zinc/72/31/34/370723134.db2.gz NVMKBCMTYAZKKL-ZDUSSCGKSA-N 2 3 255.406 0.422 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634258156 371977681 /nfs/dbraw/zinc/97/76/81/371977681.db2.gz CNIHCGOIYMKEMF-AWEZNQCLSA-N 2 3 299.463 0.263 20 0 CCADHP CC[NH2+]CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000568984069 291638951 /nfs/dbraw/zinc/63/89/51/291638951.db2.gz QDWOAZTVVBGCSL-HNNXBMFYSA-N 2 3 296.459 0.505 20 0 CCADHP [NH3+][C@@H]1CCCCC[C@@H]1NCCCN1CC[NH2+]CC1 ZINC000331922936 389316240 /nfs/dbraw/zinc/31/62/40/389316240.db2.gz CIFZCXJXFLZFKQ-KGLIPLIRSA-N 2 3 254.422 0.531 20 0 CCADHP CC[NH+](CC)CCOCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423040491 389524957 /nfs/dbraw/zinc/52/49/57/389524957.db2.gz UHQCASGTWRJMFL-RRFJBIMHSA-N 2 3 287.448 0.687 20 0 CCADHP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196194 390228246 /nfs/dbraw/zinc/22/82/46/390228246.db2.gz ACJRRLWRZOCVSF-GJZGRUSLSA-N 2 3 266.433 0.213 20 0 CCADHP C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196194 390228250 /nfs/dbraw/zinc/22/82/50/390228250.db2.gz ACJRRLWRZOCVSF-GJZGRUSLSA-N 2 3 266.433 0.213 20 0 CCADHP CN1CCN(CC2(C)CC[NH+](CCOCC[NH3+])CC2)CC1 ZINC000519821429 390548269 /nfs/dbraw/zinc/54/82/69/390548269.db2.gz DILRMEVMCIYNHR-UHFFFAOYSA-N 2 3 298.475 0.311 20 0 CCADHP C[NH2+]CCCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363874 412040184 /nfs/dbraw/zinc/04/01/84/412040184.db2.gz PWHAHEFKHMLABR-MCIONIFRSA-N 2 3 255.406 0.957 20 0 CCADHP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284276 414705997 /nfs/dbraw/zinc/70/59/97/414705997.db2.gz UVSGEAUIBJXMOV-UONOGXRCSA-N 2 3 279.428 0.971 20 0 CCADHP C[C@H]1CC2(C[N@H+]1C[C@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284276 414705998 /nfs/dbraw/zinc/70/59/98/414705998.db2.gz UVSGEAUIBJXMOV-UONOGXRCSA-N 2 3 279.428 0.971 20 0 CCADHP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000423200836 278311626 /nfs/dbraw/zinc/31/16/26/278311626.db2.gz GQCYACXGGXYDSK-GDBMZVCRSA-N 2 3 276.428 0.440 20 0 CCADHP CC[NH+](CC)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000420308474 581580373 /nfs/dbraw/zinc/58/03/73/581580373.db2.gz CTZJOCUFOONILX-UHFFFAOYSA-N 2 3 282.476 0.945 20 0 CCADHP C(C[NH+]1CCNCCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923461518 613227867 /nfs/dbraw/zinc/22/78/67/613227867.db2.gz YCOMYJXJTTUXBO-GOOCMWNKSA-N 2 3 266.433 0.402 20 0 CCADHP C[NH+](C)CCN1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925606363 615897418 /nfs/dbraw/zinc/89/74/18/615897418.db2.gz NLPPKWDMFJWNEQ-AWEZNQCLSA-N 2 3 268.449 0.743 20 0 CCADHP CN(C)CC[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925606363 615897420 /nfs/dbraw/zinc/89/74/20/615897420.db2.gz NLPPKWDMFJWNEQ-AWEZNQCLSA-N 2 3 268.449 0.743 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793842 617001909 /nfs/dbraw/zinc/00/19/09/617001909.db2.gz VRWTUJXVOCYYSZ-INIZCTEOSA-N 2 3 291.439 0.949 20 0 CCADHP CC[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000903747708 634635433 /nfs/dbraw/zinc/63/54/33/634635433.db2.gz VEFZNBMVEQCSEV-LXTVHRRPSA-N 2 3 267.417 0.814 20 0 CCADHP c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000903918714 634685343 /nfs/dbraw/zinc/68/53/43/634685343.db2.gz GACRYMULIGHJAV-GXTWGEPZSA-N 2 3 290.415 0.434 20 0 CCADHP C[C@@]1(CN2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000904300035 634723855 /nfs/dbraw/zinc/72/38/55/634723855.db2.gz UPVCBGWPSAMSQP-DZGCQCFKSA-N 2 3 282.432 0.163 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000923357843 640095175 /nfs/dbraw/zinc/09/51/75/640095175.db2.gz SYLNVCZMFQKHOU-XUXIUFHCSA-N 2 3 253.390 0.159 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000923375885 640111189 /nfs/dbraw/zinc/11/11/89/640111189.db2.gz QYPVUIGZNLZVSE-YYFQZIEXSA-N 2 3 283.416 0.055 20 0 CCADHP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925848246 648466689 /nfs/dbraw/zinc/46/66/89/648466689.db2.gz DCDVNZYEOZWARB-AGIUHOORSA-N 2 3 281.400 0.531 20 0 CCADHP CCOC(=O)[C@@]12C[N@H+](C[C@@H](C)N)C[C@@H]1CC[NH2+]CC2 ZINC001235351353 806412644 /nfs/dbraw/zinc/41/26/44/806412644.db2.gz XLHADVVUIUKDOC-DYEKYZERSA-N 2 3 269.389 0.198 20 0 CCADHP CCOC(=O)[C@@]12C[N@@H+](C[C@@H](C)N)C[C@@H]1CC[NH2+]CC2 ZINC001235351353 806412649 /nfs/dbraw/zinc/41/26/49/806412649.db2.gz XLHADVVUIUKDOC-DYEKYZERSA-N 2 3 269.389 0.198 20 0 CCADHP [NH3+]CCC[NH2+]CC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC001157971405 801544325 /nfs/dbraw/zinc/54/43/25/801544325.db2.gz XNRAZCXDZYWEQQ-CQSZACIVSA-N 2 3 276.384 0.098 20 0 CCADHP N[C@H](C(=O)N1CCC2(CC([NH3+])C2)CC1)C1CC[NH2+]CC1 ZINC001158082402 801568901 /nfs/dbraw/zinc/56/89/01/801568901.db2.gz PHTBCASDYOHDFB-ZDUSSCGKSA-N 2 3 280.416 0.043 20 0 CCADHP N[C@@H](C(=O)N1CCC2(CCC[NH2+]2)CC1)C1CC[NH2+]CC1 ZINC001158169704 801581365 /nfs/dbraw/zinc/58/13/65/801581365.db2.gz RISCDJWRSGIAQZ-CYBMUJFWSA-N 2 3 280.416 0.058 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199376 801590020 /nfs/dbraw/zinc/59/00/20/801590020.db2.gz WUXPSZWTLSZXTA-RWMBFGLXSA-N 2 3 268.405 0.008 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214864 801597160 /nfs/dbraw/zinc/59/71/60/801597160.db2.gz DVPPGYGCSUTQSH-MELADBBJSA-N 2 3 282.432 0.445 20 0 CCADHP CN(CCN(C)C(=O)[C@@H]([NH3+])CCC[NH3+])Cc1ccccc1 ZINC001161158718 802103744 /nfs/dbraw/zinc/10/37/44/802103744.db2.gz NGHAAYOICKZSBZ-HNNXBMFYSA-N 2 3 292.427 0.643 20 0 CCADHP [NH3+]C[C@@]1(F)CCC[N@@H+](CC[C@H]2CNCCO2)CC1 ZINC001205545759 803147243 /nfs/dbraw/zinc/14/72/43/803147243.db2.gz MXNZDMMQAPGGQX-QWHCGFSZSA-N 2 3 259.369 0.518 20 0 CCADHP [NH3+]C[C@@]1(F)CCC[N@H+](CC[C@H]2CNCCO2)CC1 ZINC001205545759 803147239 /nfs/dbraw/zinc/14/72/39/803147239.db2.gz MXNZDMMQAPGGQX-QWHCGFSZSA-N 2 3 259.369 0.518 20 0 CCADHP C[NH+](C)CCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208105547 803489511 /nfs/dbraw/zinc/48/95/11/803489511.db2.gz XGGVARIGAQRBIQ-UHFFFAOYSA-N 2 3 282.476 0.898 20 0 CCADHP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220884833 804690101 /nfs/dbraw/zinc/69/01/01/804690101.db2.gz OQIVJYWFEIQNGO-KBPBESRZSA-N 2 3 294.443 0.319 20 0 CCADHP CC(C)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)C(C)(C)C[NH3+] ZINC001221394796 804801094 /nfs/dbraw/zinc/80/10/94/804801094.db2.gz HWLJSOXSQRDGPW-LBPRGKRZSA-N 2 3 270.421 0.288 20 0 CCADHP C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246130537 807160601 /nfs/dbraw/zinc/16/06/01/807160601.db2.gz VBKRNQCRUOXKJV-KBPBESRZSA-N 2 3 266.433 0.592 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CCN1 ZINC001246138701 807163895 /nfs/dbraw/zinc/16/38/95/807163895.db2.gz NSWVMQZSUDXQAH-UPJWGTAASA-N 2 3 253.390 0.485 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246141489 807165043 /nfs/dbraw/zinc/16/50/43/807165043.db2.gz LJGUAFGUOQXDFH-REVZXKJASA-N 2 3 265.401 0.484 20 0 CCADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)CCN1 ZINC001246236735 807193597 /nfs/dbraw/zinc/19/35/97/807193597.db2.gz YTNNLSWGWXLQMW-JSGCOSHPSA-N 2 3 255.406 0.421 20 0 CCADHP CCOC(=O)C1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246319776 807220558 /nfs/dbraw/zinc/22/05/58/807220558.db2.gz OKSMTMKERWFKPY-UHFFFAOYSA-N 2 3 269.389 0.261 20 0 CCADHP CCOC(=O)C1(CNC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246319776 807220560 /nfs/dbraw/zinc/22/05/60/807220560.db2.gz OKSMTMKERWFKPY-UHFFFAOYSA-N 2 3 269.389 0.261 20 0 CCADHP NC[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1O ZINC001246578770 807299542 /nfs/dbraw/zinc/29/95/42/807299542.db2.gz HVDCTLDIEZDQTN-AHPWVWPOSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1O ZINC001246578770 807299547 /nfs/dbraw/zinc/29/95/47/807299547.db2.gz HVDCTLDIEZDQTN-AHPWVWPOSA-N 2 3 253.390 0.160 20 0 CCADHP C[C@@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615377 807323916 /nfs/dbraw/zinc/32/39/16/807323916.db2.gz SEJHGDOQLUIBOF-ZIAGYGMSSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@@H]1C[C@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615377 807323923 /nfs/dbraw/zinc/32/39/23/807323923.db2.gz SEJHGDOQLUIBOF-ZIAGYGMSSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@@H]1C[C@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615377 807323931 /nfs/dbraw/zinc/32/39/31/807323931.db2.gz SEJHGDOQLUIBOF-ZIAGYGMSSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615372 807323956 /nfs/dbraw/zinc/32/39/56/807323956.db2.gz SEJHGDOQLUIBOF-KGLIPLIRSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@@H]1C[C@@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615372 807323964 /nfs/dbraw/zinc/32/39/64/807323964.db2.gz SEJHGDOQLUIBOF-KGLIPLIRSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@@H]1C[C@@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615372 807323970 /nfs/dbraw/zinc/32/39/70/807323970.db2.gz SEJHGDOQLUIBOF-KGLIPLIRSA-N 2 3 267.417 0.829 20 0 CCADHP C1[C@@H]([NH2+]C2CCC3(CC2)C[NH2+]CCO3)C12CNC2 ZINC001246442273 839837524 /nfs/dbraw/zinc/83/75/24/839837524.db2.gz COMDHLPAFTVWNI-MBHSVXNSSA-N 2 3 251.374 0.239 20 0 CCADHP [NH3+]C[C@]1(O)CCCN(C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246548442 839978506 /nfs/dbraw/zinc/97/85/06/839978506.db2.gz GMVRYSCHCFNUQU-PIGZVRMJSA-N 2 3 251.374 0.221 20 0 CCADHP NC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002783 358726029 /nfs/dbraw/zinc/72/60/29/358726029.db2.gz JIHAQSIADPFDJJ-KGLIPLIRSA-N 2 3 267.417 0.673 20 0 CCADHP NC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002783 358726031 /nfs/dbraw/zinc/72/60/31/358726031.db2.gz JIHAQSIADPFDJJ-KGLIPLIRSA-N 2 3 267.417 0.673 20 0 CCADHP C[C@@H](NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422967623 296115007 /nfs/dbraw/zinc/11/50/07/296115007.db2.gz UJHJEMJNFJFLCP-HIFRSBDPSA-N 2 3 268.449 0.743 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634258165 371977858 /nfs/dbraw/zinc/97/78/58/371977858.db2.gz CNIHCGOIYMKEMF-CQSZACIVSA-N 2 3 299.463 0.263 20 0 CCADHP C[N@H+](C[C@H](O)CN1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639756627 375983224 /nfs/dbraw/zinc/98/32/24/375983224.db2.gz ZOLVQSBLKYNOCH-HNNXBMFYSA-N 2 3 281.444 0.859 20 0 CCADHP C[N@@H+](C[C@H](O)CN1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639756627 375983230 /nfs/dbraw/zinc/98/32/30/375983230.db2.gz ZOLVQSBLKYNOCH-HNNXBMFYSA-N 2 3 281.444 0.859 20 0 CCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000516975019 249195068 /nfs/dbraw/zinc/19/50/68/249195068.db2.gz MOZOXIJZWFWVNF-IRXDYDNUSA-N 2 3 291.439 0.978 20 0 CCADHP [NH3+]CCC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000516975019 249195070 /nfs/dbraw/zinc/19/50/70/249195070.db2.gz MOZOXIJZWFWVNF-IRXDYDNUSA-N 2 3 291.439 0.978 20 0 CCADHP C[C@H](NCC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422740778 389463776 /nfs/dbraw/zinc/46/37/76/389463776.db2.gz NEILELODWNJAQT-HOCLYGCPSA-N 2 3 282.476 0.990 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423211526 389553430 /nfs/dbraw/zinc/55/34/30/389553430.db2.gz YPFUAGUJKVUJCQ-ARFHVFGLSA-N 2 3 280.460 0.792 20 0 CCADHP C(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CN1CC[NH2+]CC1 ZINC000414787858 389638014 /nfs/dbraw/zinc/63/80/14/389638014.db2.gz CVIDEGKSCAINOI-OAGGEKHMSA-N 2 3 280.460 0.792 20 0 CCADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786351 389638284 /nfs/dbraw/zinc/63/82/84/389638284.db2.gz ATYXFRUJAPDNDY-KGLIPLIRSA-N 2 3 254.422 0.402 20 0 CCADHP [NH3+]C[C@H]1CN(CCCC2CC[NH2+]CC2)CCCO1 ZINC000647992599 390241984 /nfs/dbraw/zinc/24/19/84/390241984.db2.gz RDWUCXJIBAUMFY-AWEZNQCLSA-N 2 3 255.406 0.816 20 0 CCADHP NC[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000647992599 390241987 /nfs/dbraw/zinc/24/19/87/390241987.db2.gz RDWUCXJIBAUMFY-AWEZNQCLSA-N 2 3 255.406 0.816 20 0 CCADHP NC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000647992599 390241990 /nfs/dbraw/zinc/24/19/90/390241990.db2.gz RDWUCXJIBAUMFY-AWEZNQCLSA-N 2 3 255.406 0.816 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580839231 390249000 /nfs/dbraw/zinc/24/90/00/390249000.db2.gz OHYFTZOYDRACHX-KBPBESRZSA-N 2 3 255.406 0.421 20 0 CCADHP [NH3+][C@H]1CCC[C@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000578453135 390885282 /nfs/dbraw/zinc/88/52/82/390885282.db2.gz HLFPWBYGGUYTME-AYDFFVQHSA-N 2 3 294.443 0.493 20 0 CCADHP CN1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400977481 411780208 /nfs/dbraw/zinc/78/02/08/411780208.db2.gz HAVWUOREGLTDIC-HZSPNIEDSA-N 2 3 267.417 0.421 20 0 CCADHP C(CCN[C@H]1CC[NH2+]C12CCC2)CCN1CC[NH2+]CC1 ZINC000925844131 613224339 /nfs/dbraw/zinc/22/43/39/613224339.db2.gz WGIGUQKQMPXHIV-HNNXBMFYSA-N 2 3 280.460 0.936 20 0 CCADHP C1[NH2+]C[C@H]2CC[C@@H](N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C[C@@H]12 ZINC000925708554 613231145 /nfs/dbraw/zinc/23/11/45/613231145.db2.gz RLQHZQGXNPZQIV-IRGWDELNSA-N 2 3 261.413 0.961 20 0 CCADHP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000923333485 613234032 /nfs/dbraw/zinc/23/40/32/613234032.db2.gz WKSFAURVDKXGBF-FRRDWIJNSA-N 2 3 251.374 0.191 20 0 CCADHP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000923333485 613234034 /nfs/dbraw/zinc/23/40/34/613234034.db2.gz WKSFAURVDKXGBF-FRRDWIJNSA-N 2 3 251.374 0.191 20 0 CCADHP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](CC[NH3+])C2)CC1 ZINC000923484131 614325881 /nfs/dbraw/zinc/32/58/81/614325881.db2.gz WDMUKPAEVCRMAF-AWEZNQCLSA-N 2 3 296.459 0.646 20 0 CCADHP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCCN(C(=O)CN)C1 ZINC000873231923 616072441 /nfs/dbraw/zinc/07/24/41/616072441.db2.gz ZJTGXQRAGIPAAI-AWEZNQCLSA-N 2 3 284.448 0.635 20 0 CCADHP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCCN(C(=O)CN)C1 ZINC000873231923 616072442 /nfs/dbraw/zinc/07/24/42/616072442.db2.gz ZJTGXQRAGIPAAI-AWEZNQCLSA-N 2 3 284.448 0.635 20 0 CCADHP C[C@](C[NH3+])(NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903718093 634629993 /nfs/dbraw/zinc/62/99/93/634629993.db2.gz ZPHPFIDKKIRKDZ-MJBXVCDLSA-N 2 3 253.390 0.472 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744931 634640517 /nfs/dbraw/zinc/64/05/17/634640517.db2.gz ZLEGSQVEFQGEQW-BFHYXJOUSA-N 2 3 267.417 0.814 20 0 CCADHP [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@]13C[C@H]1C[NH2+]C3)CC2 ZINC000904393251 634738653 /nfs/dbraw/zinc/73/86/53/634738653.db2.gz OPABIGRDINXHLH-KCQAQPDRSA-N 2 3 265.401 0.426 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925476809 638123409 /nfs/dbraw/zinc/12/34/09/638123409.db2.gz AJYJJMPXFMHQLH-LZWOXQAQSA-N 2 3 280.460 0.885 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925476809 638123415 /nfs/dbraw/zinc/12/34/15/638123415.db2.gz AJYJJMPXFMHQLH-LZWOXQAQSA-N 2 3 280.460 0.885 20 0 CCADHP C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000873293486 646372264 /nfs/dbraw/zinc/37/22/64/646372264.db2.gz KWSIFWIRQSSRDB-DGCLKSJQSA-N 2 3 253.390 0.343 20 0 CCADHP CCN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161331523 791109197 /nfs/dbraw/zinc/10/91/97/791109197.db2.gz YWSCVZXLLUSPJL-RYUDHWBXSA-N 2 3 256.394 0.043 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001160443503 801941790 /nfs/dbraw/zinc/94/17/90/801941790.db2.gz LUQZAUWWCANPME-LBPRGKRZSA-N 2 3 250.346 0.411 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058393 802079657 /nfs/dbraw/zinc/07/96/57/802079657.db2.gz TWFQLFBZDXXEPS-RDBSUJKOSA-N 2 3 294.443 0.589 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058393 802079661 /nfs/dbraw/zinc/07/96/61/802079661.db2.gz TWFQLFBZDXXEPS-RDBSUJKOSA-N 2 3 294.443 0.589 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444059 802154414 /nfs/dbraw/zinc/15/44/14/802154414.db2.gz AZMDNSPXNBBUKC-HUUCEWRRSA-N 2 3 296.459 0.518 20 0 CCADHP [NH3+]CCCC[NH2+]CCCNc1cc2c(nn1)CCNC2 ZINC001162293267 802302104 /nfs/dbraw/zinc/30/21/04/802302104.db2.gz VOGBNDFAYVYMOE-UHFFFAOYSA-N 2 3 278.404 0.253 20 0 CCADHP C[NH2+]CCCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220077358 804495449 /nfs/dbraw/zinc/49/54/49/804495449.db2.gz HAIKEHKGIRFCLF-ZDUSSCGKSA-N 2 3 272.437 0.598 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001221391726 804798664 /nfs/dbraw/zinc/79/86/64/804798664.db2.gz ZUUUFRVXDNGFCG-VXGBXAGGSA-N 2 3 283.420 0.438 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246123407 807159883 /nfs/dbraw/zinc/15/98/83/807159883.db2.gz DKZCIGXFRWKRSY-RDBSUJKOSA-N 2 3 266.433 0.591 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246135100 807162112 /nfs/dbraw/zinc/16/21/12/807162112.db2.gz PQLZMPDNPMIBFB-CYBMUJFWSA-N 2 3 253.390 0.629 20 0 CCADHP C([NH2+]C1CCNCC1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246135100 807162118 /nfs/dbraw/zinc/16/21/18/807162118.db2.gz PQLZMPDNPMIBFB-CYBMUJFWSA-N 2 3 253.390 0.629 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246144110 807166585 /nfs/dbraw/zinc/16/65/85/807166585.db2.gz BOOWOCIYHXWLHE-NPJQDHAYSA-N 2 3 279.428 0.733 20 0 CCADHP C[C@@H]1C[C@H](N[C@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246181728 807179138 /nfs/dbraw/zinc/17/91/38/807179138.db2.gz ROWPJPHLEZUXEA-JHJVBQTASA-N 2 3 253.390 0.628 20 0 CCADHP CCOC(=O)C[C@H]([NH2+]C1CCNCC1)C1CC[NH2+]CC1 ZINC001246225520 807192609 /nfs/dbraw/zinc/19/26/09/807192609.db2.gz DRAXTCYGLBTVLD-AWEZNQCLSA-N 2 3 283.416 0.649 20 0 CCADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246457714 807255310 /nfs/dbraw/zinc/25/53/10/807255310.db2.gz QRTFXJVCPYRDST-GFCCVEGCSA-N 3 3 272.462 0.142 20 0 CCADHP C[C@@H]1C[N@@H+]([C@@H]2CCOC3(CNC3)C2)CCC[C@H]1C[NH3+] ZINC001246569095 807294854 /nfs/dbraw/zinc/29/48/54/807294854.db2.gz PXNDCAGZBCZSTL-HZSPNIEDSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1C[N@H+]([C@@H]2CCOC3(CNC3)C2)CCC[C@H]1C[NH3+] ZINC001246569095 807294859 /nfs/dbraw/zinc/29/48/59/807294859.db2.gz PXNDCAGZBCZSTL-HZSPNIEDSA-N 2 3 267.417 0.814 20 0 CCADHP NC[C@H]1CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589911 807309909 /nfs/dbraw/zinc/30/99/09/807309909.db2.gz GNXMKQHNOSACCP-CHWSQXEVSA-N 2 3 252.406 0.141 20 0 CCADHP NC[C@H]1CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589911 807309917 /nfs/dbraw/zinc/30/99/17/807309917.db2.gz GNXMKQHNOSACCP-CHWSQXEVSA-N 2 3 252.406 0.141 20 0 CCADHP C1C[C@@H]2C[C@@H]([N@@H+]3CCNC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246593036 807312546 /nfs/dbraw/zinc/31/25/46/807312546.db2.gz FJOAISILLDSXFE-QDMKHBRRSA-N 2 3 278.444 0.687 20 0 CCADHP C1C[C@@H]2C[C@@H]([N@H+]3CCNC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246593036 807312555 /nfs/dbraw/zinc/31/25/55/807312555.db2.gz FJOAISILLDSXFE-QDMKHBRRSA-N 2 3 278.444 0.687 20 0 CCADHP C[C@H]1CC[C@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1 ZINC001246089099 839603356 /nfs/dbraw/zinc/60/33/56/839603356.db2.gz OPJLEMLZHOZDBZ-KBPBESRZSA-N 2 3 254.422 0.402 20 0 CCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160696580 840134800 /nfs/dbraw/zinc/13/48/00/840134800.db2.gz XFMCXZMGEQMSSW-UONOGXRCSA-N 2 3 294.443 0.319 20 0 CCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160696580 840134806 /nfs/dbraw/zinc/13/48/06/840134806.db2.gz XFMCXZMGEQMSSW-UONOGXRCSA-N 2 3 294.443 0.319 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300098519 354057963 /nfs/dbraw/zinc/05/79/63/354057963.db2.gz JTBIPSKKGWTLIF-BFHYXJOUSA-N 2 3 255.406 0.957 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300098519 354057968 /nfs/dbraw/zinc/05/79/68/354057968.db2.gz JTBIPSKKGWTLIF-BFHYXJOUSA-N 2 3 255.406 0.957 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000567222761 291466875 /nfs/dbraw/zinc/46/68/75/291466875.db2.gz FJYXLQNTUADPRP-CQSZACIVSA-N 2 3 299.463 0.263 20 0 CCADHP CC(C)N1CCN(CCC[N@H+](C)CCOCC[NH3+])CC1 ZINC000629581390 369726333 /nfs/dbraw/zinc/72/63/33/369726333.db2.gz YXRSRMRJFSUWIL-UHFFFAOYSA-N 2 3 286.464 0.310 20 0 CCADHP CC(C)N1CCN(CCC[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629581390 369726335 /nfs/dbraw/zinc/72/63/35/369726335.db2.gz YXRSRMRJFSUWIL-UHFFFAOYSA-N 2 3 286.464 0.310 20 0 CCADHP C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006456 372339729 /nfs/dbraw/zinc/33/97/29/372339729.db2.gz RGUOIAYRFYCQMB-YHQUGGNUSA-N 2 3 255.406 0.846 20 0 CCADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCNC2)CC[NH2+]CC1 ZINC000423213573 389554214 /nfs/dbraw/zinc/55/42/14/389554214.db2.gz NPCJKCPJCQNHRW-KGLIPLIRSA-N 2 3 297.443 0.897 20 0 CCADHP CCOC(=O)C1([C@@H](C)NC[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423213573 389554219 /nfs/dbraw/zinc/55/42/19/389554219.db2.gz NPCJKCPJCQNHRW-KGLIPLIRSA-N 2 3 297.443 0.897 20 0 CCADHP [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000647992543 390241889 /nfs/dbraw/zinc/24/18/89/390241889.db2.gz NCPBXKIHNHKXCX-YUELXQCFSA-N 2 3 267.417 0.814 20 0 CCADHP C(CN1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000575046283 390832337 /nfs/dbraw/zinc/83/23/37/390832337.db2.gz JKZSBQWFIRFBRN-HNNXBMFYSA-N 2 3 266.433 0.213 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000663504924 415079633 /nfs/dbraw/zinc/07/96/33/415079633.db2.gz CBYXYWCARSXZHO-HIFRSBDPSA-N 2 3 296.459 0.837 20 0 CCADHP COCC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]CC1 ZINC000423411789 277199777 /nfs/dbraw/zinc/19/97/77/277199777.db2.gz VFUTUMPUXCUBQL-STQMWFEESA-N 2 3 255.406 0.590 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCNCCC12CCC2 ZINC000923426512 613221842 /nfs/dbraw/zinc/22/18/42/613221842.db2.gz NEZNEVWIQAFGSE-ZDUSSCGKSA-N 2 3 265.401 0.583 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCNCCC12CCC2 ZINC000923426512 613221845 /nfs/dbraw/zinc/22/18/45/613221845.db2.gz NEZNEVWIQAFGSE-ZDUSSCGKSA-N 2 3 265.401 0.583 20 0 CCADHP CCC1([NH3+])CCN([C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000925761096 614704837 /nfs/dbraw/zinc/70/48/37/614704837.db2.gz ULGBGAINNCPPCP-LVEBTZEWSA-N 2 3 267.417 0.942 20 0 CCADHP CC1(C)[NH2+]CC[C@@H]1NCCCCCN1CC[NH2+]CC1 ZINC000925842779 614807169 /nfs/dbraw/zinc/80/71/69/614807169.db2.gz NOEBZKMDTQJCIF-AWEZNQCLSA-N 2 3 268.449 0.792 20 0 CCADHP [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@@]13C[C@@H]1C[NH2+]C3)CC2 ZINC000904393250 634738056 /nfs/dbraw/zinc/73/80/56/634738056.db2.gz OPABIGRDINXHLH-IPYPFGDCSA-N 2 3 265.401 0.426 20 0 CCADHP [NH3+]C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C(F)(F)F ZINC000904383576 634739918 /nfs/dbraw/zinc/73/99/18/634739918.db2.gz CCLYUYDDRSFJJG-IMSYWVGJSA-N 2 3 251.296 0.793 20 0 CCADHP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925712963 648455862 /nfs/dbraw/zinc/45/58/62/648455862.db2.gz WHMAGHAWIXNCFY-SLTXQBBLSA-N 2 3 280.460 0.933 20 0 CCADHP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925712963 648455867 /nfs/dbraw/zinc/45/58/67/648455867.db2.gz WHMAGHAWIXNCFY-SLTXQBBLSA-N 2 3 280.460 0.933 20 0 CCADHP CC(C)N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CC[NH2+]C1 ZINC001161352272 791263145 /nfs/dbraw/zinc/26/31/45/791263145.db2.gz TUOHCAKCBCPVER-UONOGXRCSA-N 2 3 294.443 0.460 20 0 CCADHP CC(C)N(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161352272 791263149 /nfs/dbraw/zinc/26/31/49/791263149.db2.gz TUOHCAKCBCPVER-UONOGXRCSA-N 2 3 294.443 0.460 20 0 CCADHP C[NH2+]CCCN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236397737 806590137 /nfs/dbraw/zinc/59/01/37/806590137.db2.gz AVKYEKMFZRXXKF-UHFFFAOYSA-N 2 3 298.475 0.230 20 0 CCADHP C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246130540 807160662 /nfs/dbraw/zinc/16/06/62/807160662.db2.gz VBKRNQCRUOXKJV-ZIAGYGMSSA-N 2 3 266.433 0.592 20 0 CCADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001161176579 799679046 /nfs/dbraw/zinc/67/90/46/799679046.db2.gz VWPKOGIFVDVYQP-ZNMIVQPWSA-N 2 3 294.443 0.114 20 0 CCADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001161176579 799679050 /nfs/dbraw/zinc/67/90/50/799679050.db2.gz VWPKOGIFVDVYQP-ZNMIVQPWSA-N 2 3 294.443 0.114 20 0 CCADHP C[C@H]1C[C@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246156234 807170633 /nfs/dbraw/zinc/17/06/33/807170633.db2.gz KGIREKFRQUTVDX-PDWCTOEPSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@H]1C[C@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246156234 807170640 /nfs/dbraw/zinc/17/06/40/807170640.db2.gz KGIREKFRQUTVDX-PDWCTOEPSA-N 2 3 253.390 0.341 20 0 CCADHP C[NH+](C)CCN(C(=O)[C@@H](N)CC(F)F)[C@@H]1CCC[NH2+]C1 ZINC001161449990 802155834 /nfs/dbraw/zinc/15/58/34/802155834.db2.gz XGYJUTGCSYXQIJ-MNOVXSKESA-N 2 3 292.374 0.111 20 0 CCADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161489363 802162198 /nfs/dbraw/zinc/16/21/98/802162198.db2.gz LUJBPBJQVOFTAD-DZGCQCFKSA-N 2 3 294.443 0.448 20 0 CCADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161489363 802162201 /nfs/dbraw/zinc/16/22/01/802162201.db2.gz LUJBPBJQVOFTAD-DZGCQCFKSA-N 2 3 294.443 0.448 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993989 804178763 /nfs/dbraw/zinc/17/87/63/804178763.db2.gz ZGXWQZAQUFVONL-LBPRGKRZSA-N 2 3 262.357 0.685 20 0 CCADHP C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220386389 804591228 /nfs/dbraw/zinc/59/12/28/804591228.db2.gz RIWBFMXJUJYSIB-NSHDSACASA-N 2 3 258.410 0.289 20 0 CCADHP C[C@H](CNC(=O)[C@H]1C[NH2+]CC12CNC2)CC(C)(C)CC[NH3+] ZINC001220763402 804662170 /nfs/dbraw/zinc/66/21/70/804662170.db2.gz AODWANPKPUJYJE-QWHCGFSZSA-N 2 3 296.459 0.313 20 0 CCADHP CC(C)CN(C(=O)[C@@H](N)CCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187614 804742509 /nfs/dbraw/zinc/74/25/09/804742509.db2.gz BYEFXVNBRNXUJI-IHRRRGAJSA-N 2 3 284.448 0.807 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408097 804807108 /nfs/dbraw/zinc/80/71/08/804807108.db2.gz OQXSVQZNSYPWBH-RDBSUJKOSA-N 2 3 294.443 0.030 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408097 804807116 /nfs/dbraw/zinc/80/71/16/804807116.db2.gz OQXSVQZNSYPWBH-RDBSUJKOSA-N 2 3 294.443 0.030 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408091 804809214 /nfs/dbraw/zinc/80/92/14/804809214.db2.gz OQXSVQZNSYPWBH-HZSPNIEDSA-N 2 3 294.443 0.030 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408091 804809223 /nfs/dbraw/zinc/80/92/23/804809223.db2.gz OQXSVQZNSYPWBH-HZSPNIEDSA-N 2 3 294.443 0.030 20 0 CCADHP C[C@@H]1CC[C@@H](CN[C@@H]2CCNC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246113189 807156565 /nfs/dbraw/zinc/15/65/65/807156565.db2.gz NJHYLQDOCQGNES-UPJWGTAASA-N 2 3 252.406 0.058 20 0 CCADHP CC[C@@H]1C[C@H](NCCC2(O)C[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246116077 807158283 /nfs/dbraw/zinc/15/82/83/807158283.db2.gz DLCDMEYVHDKIHN-ITGUQSILSA-N 2 3 255.406 0.610 20 0 CCADHP C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1 ZINC001246136753 807162974 /nfs/dbraw/zinc/16/29/74/807162974.db2.gz DVTQLZAZMNRHCJ-DZGCQCFKSA-N 2 3 280.460 0.933 20 0 CCADHP C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246142373 807164814 /nfs/dbraw/zinc/16/48/14/807164814.db2.gz IKDIDKIAKKGZAY-XGUBFFRZSA-N 2 3 278.444 0.733 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CN(C1CCC3(CCC[NH2+]C3)CC1)CCN2 ZINC001246638667 807339620 /nfs/dbraw/zinc/33/96/20/807339620.db2.gz BUGFZMXVQREFRZ-OFLPRAFFSA-N 2 3 292.471 0.936 20 0 CCADHP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2[C@@H]1CCC[NH2+]C1 ZINC001246744534 807368359 /nfs/dbraw/zinc/36/83/59/807368359.db2.gz CBEKOLLSVMLFBU-QLFBSQMISA-N 2 3 266.433 0.449 20 0 CCADHP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2[C@@H]1CCC[NH2+]C1 ZINC001246744534 807368364 /nfs/dbraw/zinc/36/83/64/807368364.db2.gz CBEKOLLSVMLFBU-QLFBSQMISA-N 2 3 266.433 0.449 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)CN3CCCC3)C[C@H]21 ZINC000382234116 811191653 /nfs/dbraw/zinc/19/16/53/811191653.db2.gz VWAOYEKVTZHJLX-LXTVHRRPSA-N 2 3 267.417 0.502 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CN3CCCC3)C[C@H]21 ZINC000382234116 811191656 /nfs/dbraw/zinc/19/16/56/811191656.db2.gz VWAOYEKVTZHJLX-LXTVHRRPSA-N 2 3 267.417 0.502 20 0 CCADHP CN(C)CCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444168 811600078 /nfs/dbraw/zinc/60/00/78/811600078.db2.gz DFCRBGKPSUZROF-GJZGRUSLSA-N 2 3 296.459 0.518 20 0 CCADHP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445060 811608406 /nfs/dbraw/zinc/60/84/06/811608406.db2.gz MTNGZGCKJPOQGH-RBSFLKMASA-N 2 3 296.459 0.374 20 0 CCADHP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(CC2CC2)CC1 ZINC001168370870 815535838 /nfs/dbraw/zinc/53/58/38/815535838.db2.gz HFDFRSOKSDNUPR-HNNXBMFYSA-N 2 3 296.459 0.694 20 0 CCADHP CC1([NH3+])CN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001157634145 837189938 /nfs/dbraw/zinc/18/99/38/837189938.db2.gz VQIILUIZFGUKDF-GFCCVEGCSA-N 2 3 280.416 0.010 20 0 CCADHP CC1([NH3+])CN(C(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)C1 ZINC001157634145 837189947 /nfs/dbraw/zinc/18/99/47/837189947.db2.gz VQIILUIZFGUKDF-GFCCVEGCSA-N 2 3 280.416 0.010 20 0 CCADHP CC1([NH3+])CN(C(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)C1 ZINC001157634145 837189952 /nfs/dbraw/zinc/18/99/52/837189952.db2.gz VQIILUIZFGUKDF-GFCCVEGCSA-N 2 3 280.416 0.010 20 0 CCADHP C1CC12CNC[C@@H]2[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246131496 839635646 /nfs/dbraw/zinc/63/56/46/839635646.db2.gz KFHVHVIZSSBAHP-OWYJLGKBSA-N 2 3 265.401 0.629 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138103 839639971 /nfs/dbraw/zinc/63/99/71/839639971.db2.gz AKQMJGCFLFDYQD-CYBMUJFWSA-N 2 3 252.406 0.202 20 0 CCADHP CN1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@H]21 ZINC001161084438 840728851 /nfs/dbraw/zinc/72/88/51/840728851.db2.gz YCFUSKINXBLVSU-SOUVJXGZSA-N 2 3 296.459 0.598 20 0 CCADHP C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627199161 368867303 /nfs/dbraw/zinc/86/73/03/368867303.db2.gz SACFBYJIJCSTJP-KGLIPLIRSA-N 2 3 299.463 0.262 20 0 CCADHP C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC[NH2+]1 ZINC000516432958 249162870 /nfs/dbraw/zinc/16/28/70/249162870.db2.gz VCQNPIRJRMCQFO-UONOGXRCSA-N 2 3 299.463 0.262 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCN2CC[NH2+]CC2)C1 ZINC000652363656 412037743 /nfs/dbraw/zinc/03/77/43/412037743.db2.gz KNWVGZCVRIXHAO-OAGGEKHMSA-N 2 3 296.459 0.252 20 0 CCADHP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662245031 414698702 /nfs/dbraw/zinc/69/87/02/414698702.db2.gz HHJXNDKXLSWDPJ-YPMHNXCESA-N 2 3 253.390 0.567 20 0 CCADHP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662244766 414698842 /nfs/dbraw/zinc/69/88/42/414698842.db2.gz HHJXNDKXLSWDPJ-DGCLKSJQSA-N 2 3 253.390 0.567 20 0 CCADHP C[C@@H]1C[C@@H](CN2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000584113473 327040433 /nfs/dbraw/zinc/04/04/33/327040433.db2.gz SZQLIEYCBFETTD-ILXRZTDVSA-N 2 3 266.433 0.354 20 0 CCADHP C[C@@H]1C[C@H](CN2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000584113474 327040583 /nfs/dbraw/zinc/04/05/83/327040583.db2.gz SZQLIEYCBFETTD-KFWWJZLASA-N 2 3 266.433 0.354 20 0 CCADHP COCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC[NH2+]CC1 ZINC000577005168 335277861 /nfs/dbraw/zinc/27/78/61/335277861.db2.gz RAJCEQCNZRUAMN-OLZOCXBDSA-N 2 3 255.406 0.862 20 0 CCADHP COCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC000925701297 616774799 /nfs/dbraw/zinc/77/47/99/616774799.db2.gz XDWYTGDYJVUGAR-QWHCGFSZSA-N 2 3 255.406 0.733 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+]CCC[C@H]2CCC[NH2+]2)cnn1C ZINC000903919013 634686827 /nfs/dbraw/zinc/68/68/27/634686827.db2.gz KKKWLJREDSABRK-HOCLYGCPSA-N 2 3 293.459 0.968 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000903978241 634700266 /nfs/dbraw/zinc/70/02/66/634700266.db2.gz BMFPWZNKQQUVIP-MGPQQGTHSA-N 2 3 282.432 0.019 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000923363914 640102161 /nfs/dbraw/zinc/10/21/61/640102161.db2.gz DZBIFAAFZHKLKA-CRWXNKLISA-N 2 3 253.390 0.301 20 0 CCADHP CCOC(=O)[C@@]12C[N@H+](C[C@H](C)N)C[C@@H]1CC[NH2+]CC2 ZINC001235351354 806412822 /nfs/dbraw/zinc/41/28/22/806412822.db2.gz XLHADVVUIUKDOC-OBJOEFQTSA-N 2 3 269.389 0.198 20 0 CCADHP CCOC(=O)[C@@]12C[N@@H+](C[C@H](C)N)C[C@@H]1CC[NH2+]CC2 ZINC001235351354 806412824 /nfs/dbraw/zinc/41/28/24/806412824.db2.gz XLHADVVUIUKDOC-OBJOEFQTSA-N 2 3 269.389 0.198 20 0 CCADHP C[C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1[NH3+] ZINC001157800109 801489103 /nfs/dbraw/zinc/48/91/03/801489103.db2.gz YAUAKOYCCWOFKN-FRRDWIJNSA-N 2 3 280.416 0.056 20 0 CCADHP C[C@@H]1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1[NH3+] ZINC001157800109 801489106 /nfs/dbraw/zinc/48/91/06/801489106.db2.gz YAUAKOYCCWOFKN-FRRDWIJNSA-N 2 3 280.416 0.056 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160703797 802006977 /nfs/dbraw/zinc/00/69/77/802006977.db2.gz DXKHPKQBSSNKBB-MJBXVCDLSA-N 2 3 282.432 0.066 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160703797 802006982 /nfs/dbraw/zinc/00/69/82/802006982.db2.gz DXKHPKQBSSNKBB-MJBXVCDLSA-N 2 3 282.432 0.066 20 0 CCADHP CCN(CC)CCNC(=[NH2+])Nc1cc(C2C[NH2+]C2)ncn1 ZINC001163129285 802488644 /nfs/dbraw/zinc/48/86/44/802488644.db2.gz JTODNWCUSPYFNX-UHFFFAOYSA-N 2 3 291.403 0.441 20 0 CCADHP CC(C)N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(C)(C)C[NH3+] ZINC001221394042 804799306 /nfs/dbraw/zinc/79/93/06/804799306.db2.gz GYFKOJZPBMJSMD-CYBMUJFWSA-N 2 3 296.459 0.835 20 0 CCADHP CC(C)N(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C(C)(C)C[NH3+] ZINC001221394042 804799313 /nfs/dbraw/zinc/79/93/13/804799313.db2.gz GYFKOJZPBMJSMD-CYBMUJFWSA-N 2 3 296.459 0.835 20 0 CCADHP OC1(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)CC[NH2+]CC1 ZINC001246057670 807136357 /nfs/dbraw/zinc/13/63/57/807136357.db2.gz BXEKIPADYMOVIK-QWHCGFSZSA-N 2 3 253.390 0.175 20 0 CCADHP C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246142360 807164694 /nfs/dbraw/zinc/16/46/94/807164694.db2.gz IKDIDKIAKKGZAY-LXTVHRRPSA-N 2 3 278.444 0.733 20 0 CCADHP C1[NH2+]C[C@H]2OC[C@H](NC3CCC4(CCC[NH2+]C4)CC3)[C@@H]12 ZINC001246146885 807167722 /nfs/dbraw/zinc/16/77/22/807167722.db2.gz IYZXQCJKAIFHPG-JJCQNKCGSA-N 2 3 279.428 0.875 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246173578 807175675 /nfs/dbraw/zinc/17/56/75/807175675.db2.gz JMQVVIJXXRSLCC-CQSZACIVSA-N 2 3 267.417 0.877 20 0 CCADHP C([NH2+]C1CCNCC1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246173578 807175678 /nfs/dbraw/zinc/17/56/78/807175678.db2.gz JMQVVIJXXRSLCC-CQSZACIVSA-N 2 3 267.417 0.877 20 0 CCADHP c1cc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001246530654 807275699 /nfs/dbraw/zinc/27/56/99/807275699.db2.gz OVTNDLMJPFATFC-OAHLLOKOSA-N 2 3 287.411 0.298 20 0 CCADHP [NH3+]C[C@@H]1CN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1(F)F ZINC001246562540 807291012 /nfs/dbraw/zinc/29/10/12/807291012.db2.gz UDLZRJVETWPYFZ-KXNHARMFSA-N 2 3 259.344 0.900 20 0 CCADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563760 807291796 /nfs/dbraw/zinc/29/17/96/807291796.db2.gz LRRFKCSBPZAUMH-FRRDWIJNSA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1[C@H](CN)CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563760 807291800 /nfs/dbraw/zinc/29/18/00/807291800.db2.gz LRRFKCSBPZAUMH-FRRDWIJNSA-N 2 3 252.406 0.140 20 0 CCADHP CC(C)[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246604827 807319588 /nfs/dbraw/zinc/31/95/88/807319588.db2.gz OGFBXWQGOOGZGM-GJZGRUSLSA-N 2 3 280.460 0.790 20 0 CCADHP CN1CC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246872184 807416648 /nfs/dbraw/zinc/41/66/48/807416648.db2.gz CUENMJKCGDMRFF-CYBMUJFWSA-N 2 3 264.417 0.108 20 0 CCADHP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(c1)COC21CNC1 ZINC001167883148 812403145 /nfs/dbraw/zinc/40/31/45/812403145.db2.gz AKPAFZINSZTSIH-UHFFFAOYSA-N 2 3 289.383 0.690 20 0 CCADHP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157844926 837493210 /nfs/dbraw/zinc/49/32/10/837493210.db2.gz YSSHYUDYOYGWGP-IHRRRGAJSA-N 2 3 284.448 0.631 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246375326 839826467 /nfs/dbraw/zinc/82/64/67/839826467.db2.gz OPAMPMCCEQRJAM-YUELXQCFSA-N 2 3 266.433 0.543 20 0 CCADHP CCOC(=O)C1([C@@H](C)NCCC[NH2+]C)CC[NH2+]CC1 ZINC000423198525 358196722 /nfs/dbraw/zinc/19/67/22/358196722.db2.gz GJKUPZAMDMUSFA-GFCCVEGCSA-N 2 3 271.405 0.507 20 0 CCADHP CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000638043033 374586339 /nfs/dbraw/zinc/58/63/39/374586339.db2.gz JNZDYKWVGOAIAJ-ZDUSSCGKSA-N 2 3 287.452 0.105 20 0 CCADHP C[C@@H]1CCNC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512320 389597233 /nfs/dbraw/zinc/59/72/33/389597233.db2.gz PRXGMCGFPVLRNL-PRLABOORSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@@H]1CCNC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512320 389597235 /nfs/dbraw/zinc/59/72/35/389597235.db2.gz PRXGMCGFPVLRNL-PRLABOORSA-N 2 3 280.460 0.790 20 0 CCADHP C[NH2+]CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420300179 389980278 /nfs/dbraw/zinc/98/02/78/389980278.db2.gz UQCLPVMYDRPQKR-IRXDYDNUSA-N 2 3 291.439 0.849 20 0 CCADHP C[NH2+]CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420300179 389980280 /nfs/dbraw/zinc/98/02/80/389980280.db2.gz UQCLPVMYDRPQKR-IRXDYDNUSA-N 2 3 291.439 0.849 20 0 CCADHP CN1CCN(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788615 390172230 /nfs/dbraw/zinc/17/22/30/390172230.db2.gz NCRFOGZZSTVFGR-YESZJQIVSA-N 2 3 294.487 0.992 20 0 CCADHP CN1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1(C)C ZINC000647796897 390174652 /nfs/dbraw/zinc/17/46/52/390174652.db2.gz QTOJOQDCRUMAFX-OWCLPIDISA-N 2 3 294.487 0.990 20 0 CCADHP COCC1(CN[C@@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]CC1 ZINC000647547162 390839885 /nfs/dbraw/zinc/83/98/85/390839885.db2.gz PLOBDKCXIQLBPR-STQMWFEESA-N 2 3 255.406 0.590 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295145 414707318 /nfs/dbraw/zinc/70/73/18/414707318.db2.gz TXCWVDJQPKBXSB-CABCVRRESA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295145 414707319 /nfs/dbraw/zinc/70/73/19/414707319.db2.gz TXCWVDJQPKBXSB-CABCVRRESA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295145 414707320 /nfs/dbraw/zinc/70/73/20/414707320.db2.gz TXCWVDJQPKBXSB-CABCVRRESA-N 2 3 269.433 0.668 20 0 CCADHP CC[N@@H+]1CC[C@@H](N(C)CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000435371243 279397884 /nfs/dbraw/zinc/39/78/84/279397884.db2.gz SZIBAMJGNRDDCR-LSDHHAIUSA-N 2 3 268.449 0.554 20 0 CCADHP CC[N@H+]1CC[C@@H](N(C)CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000435371243 279397887 /nfs/dbraw/zinc/39/78/87/279397887.db2.gz SZIBAMJGNRDDCR-LSDHHAIUSA-N 2 3 268.449 0.554 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752159 614702443 /nfs/dbraw/zinc/70/24/43/614702443.db2.gz KQWGSNJIKHGFLW-KCQAQPDRSA-N 2 3 267.417 0.733 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752159 614702447 /nfs/dbraw/zinc/70/24/47/614702447.db2.gz KQWGSNJIKHGFLW-KCQAQPDRSA-N 2 3 267.417 0.733 20 0 CCADHP CC[NH+](CC)CCO[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923328202 614998920 /nfs/dbraw/zinc/99/89/20/614998920.db2.gz YQDAAIDQYGSEBF-AJNGGQMLSA-N 2 3 285.432 0.270 20 0 CCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849047968 615131544 /nfs/dbraw/zinc/13/15/44/615131544.db2.gz AZPGHUMLFDFWHH-MCIONIFRSA-N 2 3 281.448 0.925 20 0 CCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000849017042 615144780 /nfs/dbraw/zinc/14/47/80/615144780.db2.gz YCCNHKVTRGBIPM-AWEZNQCLSA-N 2 3 279.432 0.847 20 0 CCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000849017042 615144782 /nfs/dbraw/zinc/14/47/82/615144782.db2.gz YCCNHKVTRGBIPM-AWEZNQCLSA-N 2 3 279.432 0.847 20 0 CCADHP C[NH+](C)C[C@@H]1CN(c2ccnc(CO)c2)C[C@H]1C[NH+](C)C ZINC000866010980 615931413 /nfs/dbraw/zinc/93/14/13/615931413.db2.gz QOTAPSCATCOEAU-ZIAGYGMSSA-N 2 3 292.427 0.750 20 0 CCADHP C[C@](C[NH3+])(NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903718092 634629640 /nfs/dbraw/zinc/62/96/40/634629640.db2.gz ZPHPFIDKKIRKDZ-MGPQQGTHSA-N 2 3 253.390 0.472 20 0 CCADHP Cc1c(C[C@H](C[NH3+])CN2CCC(C[NH3+])CC2)cnn1C ZINC000903873686 634673865 /nfs/dbraw/zinc/67/38/65/634673865.db2.gz KHPBXBFJLUIGGL-CQSZACIVSA-N 2 3 279.432 0.517 20 0 CCADHP C[C@]1(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000904300036 634724172 /nfs/dbraw/zinc/72/41/72/634724172.db2.gz UPVCBGWPSAMSQP-HIFRSBDPSA-N 2 3 282.432 0.163 20 0 CCADHP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C1CC[NH2+]CC1 ZINC000873220631 646361345 /nfs/dbraw/zinc/36/13/45/646361345.db2.gz PUWSPZFLUXFAIZ-OLZOCXBDSA-N 2 3 282.432 0.161 20 0 CCADHP C[C@H]1[NH2+]CCC[C@@H]1NCCC[N@@H+]1CCCN(C)CC1 ZINC000925609273 648446873 /nfs/dbraw/zinc/44/68/73/648446873.db2.gz RRSJZPZCDMQNDH-CABCVRRESA-N 2 3 268.449 0.744 20 0 CCADHP C[C@H]1[NH2+]CCC[C@@H]1NCCC[N@H+]1CCCN(C)CC1 ZINC000925609273 648446877 /nfs/dbraw/zinc/44/68/77/648446877.db2.gz RRSJZPZCDMQNDH-CABCVRRESA-N 2 3 268.449 0.744 20 0 CCADHP C[C@@H]1CC[C@H](CN[C@H]2CCNC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246113185 807156408 /nfs/dbraw/zinc/15/64/08/807156408.db2.gz NJHYLQDOCQGNES-FRRDWIJNSA-N 2 3 252.406 0.058 20 0 CCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161048902 802076509 /nfs/dbraw/zinc/07/65/09/802076509.db2.gz AKBFBQVOISIYED-KGLIPLIRSA-N 2 3 282.432 0.254 20 0 CCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161048902 802076515 /nfs/dbraw/zinc/07/65/15/802076515.db2.gz AKBFBQVOISIYED-KGLIPLIRSA-N 2 3 282.432 0.254 20 0 CCADHP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@@H](N)C23CCC3)CC1 ZINC000405198876 803867680 /nfs/dbraw/zinc/86/76/80/803867680.db2.gz BUTMMEMPGWSQCH-VXGBXAGGSA-N 2 3 253.390 0.303 20 0 CCADHP C[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C[NH2+]1 ZINC001219582377 804357260 /nfs/dbraw/zinc/35/72/60/804357260.db2.gz DKLAIIJKZXMEDS-RWMBFGLXSA-N 2 3 280.416 0.117 20 0 CCADHP C[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001219582377 804357267 /nfs/dbraw/zinc/35/72/67/804357267.db2.gz DKLAIIJKZXMEDS-RWMBFGLXSA-N 2 3 280.416 0.117 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219918386 804449024 /nfs/dbraw/zinc/44/90/24/804449024.db2.gz KHTSUCTYXSIMFB-CQSZACIVSA-N 2 3 296.459 0.709 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219918386 804449028 /nfs/dbraw/zinc/44/90/28/804449028.db2.gz KHTSUCTYXSIMFB-CQSZACIVSA-N 2 3 296.459 0.709 20 0 CCADHP N[C@H](C(=O)NCCC[NH2+]C1CCCCC1)C1CC[NH2+]CC1 ZINC001219954783 804458225 /nfs/dbraw/zinc/45/82/25/804458225.db2.gz RRDBGNAVQBVDGI-HNNXBMFYSA-N 2 3 296.459 0.742 20 0 CCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001219980085 804463038 /nfs/dbraw/zinc/46/30/38/804463038.db2.gz BHIAEORRDGZXGH-TZMCWYRMSA-N 2 3 282.432 0.161 20 0 CCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001219980085 804463039 /nfs/dbraw/zinc/46/30/39/804463039.db2.gz BHIAEORRDGZXGH-TZMCWYRMSA-N 2 3 282.432 0.161 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261111 804553882 /nfs/dbraw/zinc/55/38/82/804553882.db2.gz RBTFHKCWPFFFRL-AWEZNQCLSA-N 2 3 293.415 0.433 20 0 CCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220332828 804576088 /nfs/dbraw/zinc/57/60/88/804576088.db2.gz QBPRCESGSSNMCQ-KBPBESRZSA-N 2 3 294.443 0.032 20 0 CCADHP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCc1c[nH]c2ccncc12 ZINC001220865708 804684133 /nfs/dbraw/zinc/68/41/33/804684133.db2.gz IHOKFIJUDJMCKF-GFCCVEGCSA-N 2 3 275.356 0.288 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)C1 ZINC001221410461 804810780 /nfs/dbraw/zinc/81/07/80/804810780.db2.gz YCYYLEFKGYGUOB-IHRRRGAJSA-N 2 3 284.448 0.678 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)C1 ZINC001221410461 804810788 /nfs/dbraw/zinc/81/07/88/804810788.db2.gz YCYYLEFKGYGUOB-IHRRRGAJSA-N 2 3 284.448 0.678 20 0 CCADHP OC1(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)C[NH2+]C1 ZINC001246117497 807157850 /nfs/dbraw/zinc/15/78/50/807157850.db2.gz JCHKBXDKKFFWEV-HZPDHXFCSA-N 2 3 289.423 0.664 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)C[NH2+]1 ZINC001246151065 807168795 /nfs/dbraw/zinc/16/87/95/807168795.db2.gz OFIIVIZXUJRMEX-IKOXMDCHSA-N 2 3 253.390 0.484 20 0 CCADHP C[C@H]1C[C@@H]([NH2+]CCCOCCOCCC[NH3+])CCN1 ZINC001246208586 807186285 /nfs/dbraw/zinc/18/62/85/807186285.db2.gz DUXLRMLJCHHVJE-KBPBESRZSA-N 2 3 273.421 0.489 20 0 CCADHP C1CC2(C1)C[C@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246592938 807313561 /nfs/dbraw/zinc/31/35/61/807313561.db2.gz DGDMCYYDQJVZCG-CQSZACIVSA-N 2 3 278.444 0.689 20 0 CCADHP C1CC2(C1)C[C@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246592938 807313570 /nfs/dbraw/zinc/31/35/70/807313570.db2.gz DGDMCYYDQJVZCG-CQSZACIVSA-N 2 3 278.444 0.689 20 0 CCADHP CC[C@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246605830 807320422 /nfs/dbraw/zinc/32/04/22/807320422.db2.gz QYGTVTOLBNCESM-UONOGXRCSA-N 2 3 266.433 0.544 20 0 CCADHP CN1CC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246872186 807416958 /nfs/dbraw/zinc/41/69/58/807416958.db2.gz CUENMJKCGDMRFF-ZDUSSCGKSA-N 2 3 264.417 0.108 20 0 CCADHP C[NH+]1CCC(c2cn(CCCC[NH2+]CCCN)nn2)CC1 ZINC001254164487 808193053 /nfs/dbraw/zinc/19/30/53/808193053.db2.gz NSXBFOSJOJFVMP-UHFFFAOYSA-N 2 3 294.447 0.806 20 0 CCADHP [NH3+]CCCCN1CCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852178 808287941 /nfs/dbraw/zinc/28/79/41/808287941.db2.gz RKVWOBGPGFJQLN-MRXNPFEDSA-N 2 3 280.460 0.827 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405876 811769044 /nfs/dbraw/zinc/76/90/44/811769044.db2.gz CEYLZSUIPQGDBM-FRRDWIJNSA-N 2 3 270.421 0.288 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405876 811769048 /nfs/dbraw/zinc/76/90/48/811769048.db2.gz CEYLZSUIPQGDBM-FRRDWIJNSA-N 2 3 270.421 0.288 20 0 CCADHP CC1(C)[NH2+]C[C@@H](CN2CCC3(CC[NH2+]C3)CC2)O1 ZINC001235104022 816806532 /nfs/dbraw/zinc/80/65/32/816806532.db2.gz JUFZLEYMEWQLNB-LBPRGKRZSA-N 2 3 253.390 0.786 20 0 CCADHP CC[NH+]1CCC(NCCN2CCC[N@H+](C)CC2)CC1 ZINC001169231186 836166425 /nfs/dbraw/zinc/16/64/25/836166425.db2.gz VLKSJFJBVCBDNX-UHFFFAOYSA-N 2 3 268.449 0.698 20 0 CCADHP CC[NH+]1CCC(NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001169231186 836166430 /nfs/dbraw/zinc/16/64/30/836166430.db2.gz VLKSJFJBVCBDNX-UHFFFAOYSA-N 2 3 268.449 0.698 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422762 838157128 /nfs/dbraw/zinc/15/71/28/838157128.db2.gz LJKSFQFIMYTIGU-MJBXVCDLSA-N 2 3 282.432 0.445 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138105 839640214 /nfs/dbraw/zinc/64/02/14/839640214.db2.gz AKQMJGCFLFDYQD-ZDUSSCGKSA-N 2 3 252.406 0.202 20 0 CCADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000422982606 295255701 /nfs/dbraw/zinc/25/57/01/295255701.db2.gz XCCTXWMAJLAMLA-ZNMIVQPWSA-N 2 3 269.433 0.940 20 0 CCADHP CN1CCC[C@@H](C[N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000258879513 285153837 /nfs/dbraw/zinc/15/38/37/285153837.db2.gz HUWNBONRMOPDME-CQSZACIVSA-N 2 3 254.422 0.165 20 0 CCADHP CN1CCC[C@@H](C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000258879513 285153838 /nfs/dbraw/zinc/15/38/38/285153838.db2.gz HUWNBONRMOPDME-CQSZACIVSA-N 2 3 254.422 0.165 20 0 CCADHP [NH3+][C@@H]1CCO[C@@H](C2CCN(C[C@H]3CC[NH2+]C3)CC2)C1 ZINC000647992542 390241885 /nfs/dbraw/zinc/24/18/85/390241885.db2.gz NCPBXKIHNHKXCX-NWANDNLSSA-N 2 3 267.417 0.814 20 0 CCADHP C[NH2+]CCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000647509974 390826231 /nfs/dbraw/zinc/82/62/31/390826231.db2.gz RIURQANQSDKLTE-HNNXBMFYSA-N 2 3 296.459 0.505 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000647553108 390841525 /nfs/dbraw/zinc/84/15/25/390841525.db2.gz BDTZHBRFCPDZRW-HNNXBMFYSA-N 2 3 290.411 0.432 20 0 CCADHP C[N@@H+]1CCC[C@@H](N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000649414821 397608645 /nfs/dbraw/zinc/60/86/45/397608645.db2.gz ZOBJVLLBDXXCLV-JKSUJKDBSA-N 2 3 280.460 0.698 20 0 CCADHP C[N@H+]1CCC[C@@H](N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000649414821 397608646 /nfs/dbraw/zinc/60/86/46/397608646.db2.gz ZOBJVLLBDXXCLV-JKSUJKDBSA-N 2 3 280.460 0.698 20 0 CCADHP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246952 414699523 /nfs/dbraw/zinc/69/95/23/414699523.db2.gz VQSXTECUKZOSRF-AVGNSLFASA-N 2 3 253.390 0.567 20 0 CCADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000422982606 295255699 /nfs/dbraw/zinc/25/56/99/295255699.db2.gz XCCTXWMAJLAMLA-ZNMIVQPWSA-N 2 3 269.433 0.940 20 0 CCADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923428966 613225869 /nfs/dbraw/zinc/22/58/69/613225869.db2.gz UTKCTHWMICJDFB-HUUCEWRRSA-N 2 3 279.428 0.831 20 0 CCADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030572 615145041 /nfs/dbraw/zinc/14/50/41/615145041.db2.gz OZCVKXPYAKAGHV-STQMWFEESA-N 2 3 269.437 0.782 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000925813381 616414721 /nfs/dbraw/zinc/41/47/21/616414721.db2.gz UQMKRSBVNRCQSC-OWCLPIDISA-N 2 3 280.460 0.872 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000925813381 616414723 /nfs/dbraw/zinc/41/47/23/616414723.db2.gz UQMKRSBVNRCQSC-OWCLPIDISA-N 2 3 280.460 0.872 20 0 CCADHP COCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]CC1 ZINC000925701296 616775081 /nfs/dbraw/zinc/77/50/81/616775081.db2.gz XDWYTGDYJVUGAR-OLZOCXBDSA-N 2 3 255.406 0.733 20 0 CCADHP O[C@@H](CN1CCC2(C1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000311699433 623789694 /nfs/dbraw/zinc/78/96/94/623789694.db2.gz LTWIJNXNPKLWFY-CQSZACIVSA-N 2 3 267.417 0.519 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC12CC(C1)CN2 ZINC000925718686 625756512 /nfs/dbraw/zinc/75/65/12/625756512.db2.gz ZDWXRBVZMLROTM-RIDRBNGDSA-N 2 3 251.374 0.080 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2NCC12CC(C1)C[NH2+]2 ZINC000925718686 625756521 /nfs/dbraw/zinc/75/65/21/625756521.db2.gz ZDWXRBVZMLROTM-RIDRBNGDSA-N 2 3 251.374 0.080 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@H](C)C2CC[NH2+]CC2)cnn1C ZINC000903937429 634694536 /nfs/dbraw/zinc/69/45/36/634694536.db2.gz KRXOJERVEHZLDK-TZMCWYRMSA-N 2 3 293.459 0.824 20 0 CCADHP C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCC[NH2+]C1 ZINC000925848989 631398520 /nfs/dbraw/zinc/39/85/20/631398520.db2.gz MMBDZAPMGPMIMR-MJBXVCDLSA-N 2 3 295.427 0.649 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH2+]CCCCCC[NH3+])C1 ZINC000843129244 643004338 /nfs/dbraw/zinc/00/43/38/643004338.db2.gz OKIKGRAZYJYNON-CYBMUJFWSA-N 2 3 270.421 0.292 20 0 CCADHP C[C@@H]1C[C@H](NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246146638 807166227 /nfs/dbraw/zinc/16/62/27/807166227.db2.gz HHVSTBZSVXRDHS-DHGKCCLASA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CCN1 ZINC001246146638 807166230 /nfs/dbraw/zinc/16/62/30/807166230.db2.gz HHVSTBZSVXRDHS-DHGKCCLASA-N 2 3 253.390 0.341 20 0 CCADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001161176572 799679564 /nfs/dbraw/zinc/67/95/64/799679564.db2.gz VWPKOGIFVDVYQP-KFWWJZLASA-N 2 3 294.443 0.114 20 0 CCADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157844919 801499658 /nfs/dbraw/zinc/49/96/58/801499658.db2.gz YMQFXTDIPZWUKD-MCIONIFRSA-N 2 3 294.443 0.446 20 0 CCADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157844919 801499663 /nfs/dbraw/zinc/49/96/63/801499663.db2.gz YMQFXTDIPZWUKD-MCIONIFRSA-N 2 3 294.443 0.446 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162073 801580697 /nfs/dbraw/zinc/58/06/97/801580697.db2.gz UTRPTIFZVOEEBC-GXTWGEPZSA-N 2 3 268.405 0.187 20 0 CCADHP [NH3+]C[C@@]1(F)CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205545756 803147255 /nfs/dbraw/zinc/14/72/55/803147255.db2.gz MXNZDMMQAPGGQX-CHWSQXEVSA-N 2 3 259.369 0.518 20 0 CCADHP [NH3+]C[C@@]1(F)CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205545756 803147261 /nfs/dbraw/zinc/14/72/61/803147261.db2.gz MXNZDMMQAPGGQX-CHWSQXEVSA-N 2 3 259.369 0.518 20 0 CCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001219980083 804463124 /nfs/dbraw/zinc/46/31/24/804463124.db2.gz BHIAEORRDGZXGH-JSGCOSHPSA-N 2 3 282.432 0.161 20 0 CCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001219980083 804463126 /nfs/dbraw/zinc/46/31/26/804463126.db2.gz BHIAEORRDGZXGH-JSGCOSHPSA-N 2 3 282.432 0.161 20 0 CCADHP [NH3+][C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccccc1 ZINC001220500350 804616895 /nfs/dbraw/zinc/61/68/95/804616895.db2.gz IUIDRWROXNLNKE-IIAWOOMASA-N 2 3 288.395 0.002 20 0 CCADHP N[C@@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221061049 804727213 /nfs/dbraw/zinc/72/72/13/804727213.db2.gz YMEHCWUSXPGFNZ-CQSZACIVSA-N 2 3 294.374 0.444 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)C1CC[NH2+]CC1 ZINC001221390188 804798847 /nfs/dbraw/zinc/79/88/47/804798847.db2.gz OQCKPOPLEFEKRN-UHFFFAOYSA-N 2 3 269.393 0.050 20 0 CCADHP FC(F)(F)[C@@]1(CN[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246108621 807155875 /nfs/dbraw/zinc/15/58/75/807155875.db2.gz CRWKMZZWDHSHTR-QWRGUYRKSA-N 2 3 292.349 0.212 20 0 CCADHP C[C@@H]1CC[C@H](CN[C@@H]2CCNC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246113188 807156502 /nfs/dbraw/zinc/15/65/02/807156502.db2.gz NJHYLQDOCQGNES-JHJVBQTASA-N 2 3 252.406 0.058 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@@H](N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)C2 ZINC001246133465 807162271 /nfs/dbraw/zinc/16/22/71/807162271.db2.gz JNMUPDFXWOJYKQ-RYPNDVFKSA-N 2 3 265.401 0.485 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246147246 807167324 /nfs/dbraw/zinc/16/73/24/807167324.db2.gz WVNKIQDHIAWYMA-LXTVHRRPSA-N 2 3 283.416 0.112 20 0 CCADHP C1C[C@@H](N2CCC([NH2+]C3CCNCC3)CC2)C[NH2+]1 ZINC001246378642 807238905 /nfs/dbraw/zinc/23/89/05/807238905.db2.gz XXPWNSJHIAIGCC-CQSZACIVSA-N 2 3 252.406 0.154 20 0 CCADHP C1COC2(CCC([N@@H+]3CCCNCC3)CC2)C[NH2+]1 ZINC001246522628 807274332 /nfs/dbraw/zinc/27/43/32/807274332.db2.gz FLSZQTKKFMXSQI-UHFFFAOYSA-N 2 3 253.390 0.583 20 0 CCADHP C1COC2(CCC([N@H+]3CCCNCC3)CC2)C[NH2+]1 ZINC001246522628 807274341 /nfs/dbraw/zinc/27/43/41/807274341.db2.gz FLSZQTKKFMXSQI-UHFFFAOYSA-N 2 3 253.390 0.583 20 0 CCADHP NC[C@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1O ZINC001246577559 807297637 /nfs/dbraw/zinc/29/76/37/807297637.db2.gz AKKBNTPJQCMKBJ-LQULJDIASA-N 2 3 267.417 0.550 20 0 CCADHP NC[C@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1O ZINC001246577559 807297642 /nfs/dbraw/zinc/29/76/42/807297642.db2.gz AKKBNTPJQCMKBJ-LQULJDIASA-N 2 3 267.417 0.550 20 0 CCADHP C1CC2(C[NH2+]1)CCC([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)CC2 ZINC001246618474 807325810 /nfs/dbraw/zinc/32/58/10/807325810.db2.gz LKTYPSXZGKFFMD-YZUHTNEWSA-N 2 3 292.471 0.935 20 0 CCADHP C1CC2(C[NH2+]1)CCC([N@H+]1CCN[C@H]3CCNCC[C@@H]31)CC2 ZINC001246618474 807325812 /nfs/dbraw/zinc/32/58/12/807325812.db2.gz LKTYPSXZGKFFMD-YZUHTNEWSA-N 2 3 292.471 0.935 20 0 CCADHP C1CC2(C[NH2+]1)CCC(N1CCN[C@H]3CC[NH2+]CC[C@@H]31)CC2 ZINC001246618474 807325820 /nfs/dbraw/zinc/32/58/20/807325820.db2.gz LKTYPSXZGKFFMD-YZUHTNEWSA-N 2 3 292.471 0.935 20 0 CCADHP C([C@H]1CCCNC1)[N@H+](C1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970973 807443151 /nfs/dbraw/zinc/44/31/51/807443151.db2.gz FFYNUGKIWHKEID-DZGCQCFKSA-N 2 3 278.444 0.544 20 0 CCADHP C([C@H]1CCCNC1)[N@@H+](C1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970973 807443155 /nfs/dbraw/zinc/44/31/55/807443155.db2.gz FFYNUGKIWHKEID-DZGCQCFKSA-N 2 3 278.444 0.544 20 0 CCADHP CCOC(=O)[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010527 807452702 /nfs/dbraw/zinc/45/27/02/807452702.db2.gz WICWRJYPNWHZBC-MGPQQGTHSA-N 2 3 295.427 0.602 20 0 CCADHP N[C@@H](CCC[NH3+])Nc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001170900242 839550467 /nfs/dbraw/zinc/55/04/67/839550467.db2.gz QQULMJLFTMRFGZ-CYBMUJFWSA-N 2 3 274.372 0.457 20 0 CCADHP C[C@@H]1CC[C@H](CN[C@H]2CCOC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246112099 839623943 /nfs/dbraw/zinc/62/39/43/839623943.db2.gz KUESUKWFNNUFKV-FRRDWIJNSA-N 2 3 253.390 0.485 20 0 CCADHP C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246195806 839675083 /nfs/dbraw/zinc/67/50/83/839675083.db2.gz PXRBLTODLCJVSV-LSDHHAIUSA-N 2 3 280.460 0.935 20 0 CCADHP [NH3+]C[C@]1(O)CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246545216 839959443 /nfs/dbraw/zinc/95/94/43/839959443.db2.gz UXHXGZUKLUSVLS-DGAVXFQQSA-N 2 3 253.390 0.445 20 0 CCADHP NC[C@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580320 840115889 /nfs/dbraw/zinc/11/58/89/840115889.db2.gz MVYCXSOIQHRQGP-XUXIUFHCSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580320 840115897 /nfs/dbraw/zinc/11/58/97/840115897.db2.gz MVYCXSOIQHRQGP-XUXIUFHCSA-N 2 3 253.390 0.160 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001339226939 921687765 /nfs/dbraw/zinc/68/77/65/921687765.db2.gz YBHWAHDHQNDAGR-JHJVBQTASA-N 2 3 268.405 0.043 20 0 CCADHP CC[NH2+]CC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000568984071 358722232 /nfs/dbraw/zinc/72/22/32/358722232.db2.gz QDWOAZTVVBGCSL-OAHLLOKOSA-N 2 3 296.459 0.505 20 0 CCADHP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000627166622 368840574 /nfs/dbraw/zinc/84/05/74/368840574.db2.gz GZYJUCUGGATVHO-UONOGXRCSA-N 2 3 299.463 0.262 20 0 CCADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000568392530 291589343 /nfs/dbraw/zinc/58/93/43/291589343.db2.gz HJGUZAHMHGWXSM-CQDKDKBSSA-N 2 3 263.385 0.987 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000641181111 376853901 /nfs/dbraw/zinc/85/39/01/376853901.db2.gz ONSCCGAKOKWMIP-ZIAGYGMSSA-N 2 3 299.463 0.391 20 0 CCADHP CC[NH+](CC)CCOCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423040489 389525331 /nfs/dbraw/zinc/52/53/31/389525331.db2.gz UHQCASGTWRJMFL-QLFBSQMISA-N 2 3 287.448 0.687 20 0 CCADHP CCOC(=O)C1([C@@H](C)NC[C@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000423283712 389559383 /nfs/dbraw/zinc/55/93/83/389559383.db2.gz XKSBSPJQKKSZJH-OLZOCXBDSA-N 2 3 285.432 0.881 20 0 CCADHP CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414658687 389624511 /nfs/dbraw/zinc/62/45/11/389624511.db2.gz QZNVGTHQGIICJU-STQMWFEESA-N 2 3 270.421 0.147 20 0 CCADHP CC(C)C[C@H](N)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414658687 389624514 /nfs/dbraw/zinc/62/45/14/389624514.db2.gz QZNVGTHQGIICJU-STQMWFEESA-N 2 3 270.421 0.147 20 0 CCADHP C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572243820 390773882 /nfs/dbraw/zinc/77/38/82/390773882.db2.gz SAPHTFXKCIGWIJ-LSDHHAIUSA-N 2 3 266.433 0.356 20 0 CCADHP CCO[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000650713808 397747649 /nfs/dbraw/zinc/74/76/49/397747649.db2.gz CQUHACDFPHZPMI-IGQOVBAYSA-N 2 3 255.406 0.670 20 0 CCADHP CCO[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000650713808 397747652 /nfs/dbraw/zinc/74/76/52/397747652.db2.gz CQUHACDFPHZPMI-IGQOVBAYSA-N 2 3 255.406 0.670 20 0 CCADHP C[C@@H]1CCC[N@H+](CCN2CCNCC2)[C@@H]1CCC[NH3+] ZINC000662318353 414709238 /nfs/dbraw/zinc/70/92/38/414709238.db2.gz YMTRYFVWXNUKTR-HUUCEWRRSA-N 2 3 268.449 0.731 20 0 CCADHP C[C@@H]1CCC[N@@H+](CCN2CCNCC2)[C@@H]1CCC[NH3+] ZINC000662318353 414709239 /nfs/dbraw/zinc/70/92/39/414709239.db2.gz YMTRYFVWXNUKTR-HUUCEWRRSA-N 2 3 268.449 0.731 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000665289445 415586803 /nfs/dbraw/zinc/58/68/03/415586803.db2.gz OCPDYDYTJRLHNO-UKRRQHHQSA-N 2 3 296.459 0.694 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782033 614853896 /nfs/dbraw/zinc/85/38/96/614853896.db2.gz DUKOJIMMMWFGOW-XQQFMLRXSA-N 2 3 267.417 0.861 20 0 CCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903782033 614853899 /nfs/dbraw/zinc/85/38/99/614853899.db2.gz DUKOJIMMMWFGOW-XQQFMLRXSA-N 2 3 267.417 0.861 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903744584 634639586 /nfs/dbraw/zinc/63/95/86/634639586.db2.gz VJLWBXIHNANRBS-CRWXNKLISA-N 2 3 253.390 0.424 20 0 CCADHP c1cc(N2CC[NH2+]CC2)oc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000904354632 634733266 /nfs/dbraw/zinc/73/32/66/634733266.db2.gz HXQOAYFCIYQZFT-CQSZACIVSA-N 2 3 290.411 0.921 20 0 CCADHP [NH3+]C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000904383574 634739862 /nfs/dbraw/zinc/73/98/62/634739862.db2.gz CCLYUYDDRSFJJG-AXTSPUMRSA-N 2 3 251.296 0.793 20 0 CCADHP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925712960 648456036 /nfs/dbraw/zinc/45/60/36/648456036.db2.gz WHMAGHAWIXNCFY-LMPOIIKSSA-N 2 3 280.460 0.933 20 0 CCADHP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925712960 648456041 /nfs/dbraw/zinc/45/60/41/648456041.db2.gz WHMAGHAWIXNCFY-LMPOIIKSSA-N 2 3 280.460 0.933 20 0 CCADHP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCCC[NH3+])CC[C@@H]21 ZINC001235595099 806467865 /nfs/dbraw/zinc/46/78/65/806467865.db2.gz BMMQZKLTFPMKEJ-ILXRZTDVSA-N 2 3 292.431 0.412 20 0 CCADHP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCCC[NH3+])CC[C@@H]21 ZINC001235595099 806467869 /nfs/dbraw/zinc/46/78/69/806467869.db2.gz BMMQZKLTFPMKEJ-ILXRZTDVSA-N 2 3 292.431 0.412 20 0 CCADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160454364 801942633 /nfs/dbraw/zinc/94/26/33/801942633.db2.gz NBPAACQBHXIZJR-HNNXBMFYSA-N 2 3 298.475 0.846 20 0 CCADHP CC(C)N(C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353124 802136273 /nfs/dbraw/zinc/13/62/73/802136273.db2.gz MAAOXSBBTGKKNG-RYUDHWBXSA-N 2 3 256.394 0.042 20 0 CCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161048901 802076071 /nfs/dbraw/zinc/07/60/71/802076071.db2.gz AKBFBQVOISIYED-KBPBESRZSA-N 2 3 282.432 0.254 20 0 CCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161048901 802076077 /nfs/dbraw/zinc/07/60/77/802076077.db2.gz AKBFBQVOISIYED-KBPBESRZSA-N 2 3 282.432 0.254 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CC2(CC2)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447441 802155813 /nfs/dbraw/zinc/15/58/13/802155813.db2.gz XMUSTVKHPMURBD-KGLIPLIRSA-N 2 3 294.443 0.271 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219115488 804206509 /nfs/dbraw/zinc/20/65/09/804206509.db2.gz BKNPWNGPXMDJFO-AWEZNQCLSA-N 2 3 291.399 0.101 20 0 CCADHP N[C@H](C(=O)Nc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC001219347037 804281084 /nfs/dbraw/zinc/28/10/84/804281084.db2.gz CSKYSNKPSYSEET-ZDUSSCGKSA-N 2 3 262.357 0.411 20 0 CCADHP C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)CCC[NH3+])c1 ZINC001219943683 804453042 /nfs/dbraw/zinc/45/30/42/804453042.db2.gz UUPLNAZFQKXFFG-CQSZACIVSA-N 2 3 278.400 0.431 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918968 804699937 /nfs/dbraw/zinc/69/99/37/804699937.db2.gz NEJNSKHRMKAWIW-HIFRSBDPSA-N 2 3 296.459 0.966 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918968 804699941 /nfs/dbraw/zinc/69/99/41/804699941.db2.gz NEJNSKHRMKAWIW-HIFRSBDPSA-N 2 3 296.459 0.966 20 0 CCADHP OC1(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)C[NH2+]C1 ZINC001246117496 807157977 /nfs/dbraw/zinc/15/79/77/807157977.db2.gz JCHKBXDKKFFWEV-HOTGVXAUSA-N 2 3 289.423 0.664 20 0 CCADHP OC1(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)C[NH2+]C1 ZINC001246117498 807158699 /nfs/dbraw/zinc/15/86/99/807158699.db2.gz JCHKBXDKKFFWEV-JKSUJKDBSA-N 2 3 289.423 0.664 20 0 CCADHP C(C[C@@H]1CCOC12CC[NH2+]CC2)[NH2+]C1CCNCC1 ZINC001246143201 807166319 /nfs/dbraw/zinc/16/63/19/807166319.db2.gz UVRNOKFFJZNWCM-CYBMUJFWSA-N 2 3 267.417 0.877 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246147245 807167701 /nfs/dbraw/zinc/16/77/01/807167701.db2.gz WVNKIQDHIAWYMA-KBUPBQIOSA-N 2 3 283.416 0.112 20 0 CCADHP C[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246150431 807168958 /nfs/dbraw/zinc/16/89/58/807168958.db2.gz VZDYTHWGHUQNBV-UPJWGTAASA-N 2 3 252.406 0.201 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]CCCOCCOCCC[NH3+])CCN1 ZINC001246208591 807186949 /nfs/dbraw/zinc/18/69/49/807186949.db2.gz DUXLRMLJCHHVJE-ZIAGYGMSSA-N 2 3 273.421 0.489 20 0 CCADHP NC[C@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585057 807306834 /nfs/dbraw/zinc/30/68/34/807306834.db2.gz MVYCXSOIQHRQGP-IGQOVBAYSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1O ZINC001246585057 807306841 /nfs/dbraw/zinc/30/68/41/807306841.db2.gz MVYCXSOIQHRQGP-IGQOVBAYSA-N 2 3 253.390 0.160 20 0 CCADHP CC1(C)C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246607014 807320890 /nfs/dbraw/zinc/32/08/90/807320890.db2.gz ULWKKGYOFKDGOB-CYBMUJFWSA-N 2 3 266.433 0.544 20 0 CCADHP CC1(C)C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246607014 807320898 /nfs/dbraw/zinc/32/08/98/807320898.db2.gz ULWKKGYOFKDGOB-CYBMUJFWSA-N 2 3 266.433 0.544 20 0 CCADHP CC1(C)C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246607014 807320906 /nfs/dbraw/zinc/32/09/06/807320906.db2.gz ULWKKGYOFKDGOB-CYBMUJFWSA-N 2 3 266.433 0.544 20 0 CCADHP CCCN1C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246938660 807435272 /nfs/dbraw/zinc/43/52/72/807435272.db2.gz FQUWWFAYBUAJND-ZNMIVQPWSA-N 2 3 278.444 0.354 20 0 CCADHP CCCN1C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246938660 807435273 /nfs/dbraw/zinc/43/52/73/807435273.db2.gz FQUWWFAYBUAJND-ZNMIVQPWSA-N 2 3 278.444 0.354 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161446647 811634943 /nfs/dbraw/zinc/63/49/43/811634943.db2.gz TWTGWOFKNXZVHY-RRFJBIMHSA-N 2 3 296.459 0.517 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001160443117 839884580 /nfs/dbraw/zinc/88/45/80/839884580.db2.gz FEULMJRUALYTTQ-AWEZNQCLSA-N 2 3 276.384 0.671 20 0 CCADHP CCOC(=O)C1([C@H](C)NCCC[NH2+]C)CC[NH2+]CC1 ZINC000423198526 358197163 /nfs/dbraw/zinc/19/71/63/358197163.db2.gz GJKUPZAMDMUSFA-LBPRGKRZSA-N 2 3 271.405 0.507 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566230642 291380035 /nfs/dbraw/zinc/38/00/35/291380035.db2.gz ZSESJAHDIFCZBA-ZIAGYGMSSA-N 2 3 294.443 0.306 20 0 CCADHP NCC1(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566230642 291380036 /nfs/dbraw/zinc/38/00/36/291380036.db2.gz ZSESJAHDIFCZBA-ZIAGYGMSSA-N 2 3 294.443 0.306 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423211527 389553617 /nfs/dbraw/zinc/55/36/17/389553617.db2.gz YPFUAGUJKVUJCQ-BZUAXINKSA-N 2 3 280.460 0.792 20 0 CCADHP C[C@@H]1CCNC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512319 389597813 /nfs/dbraw/zinc/59/78/13/389597813.db2.gz PRXGMCGFPVLRNL-LMPOIIKSSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@@H]1CCNC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512319 389597819 /nfs/dbraw/zinc/59/78/19/389597819.db2.gz PRXGMCGFPVLRNL-LMPOIIKSSA-N 2 3 280.460 0.790 20 0 CCADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1C[NH2+]CCCO1 ZINC000647548106 390839745 /nfs/dbraw/zinc/83/97/45/390839745.db2.gz VLNRKJTYRCQOIB-REWJHTLYSA-N 2 3 253.390 0.343 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662273248 414703840 /nfs/dbraw/zinc/70/38/40/414703840.db2.gz NCJXYDBQTOQYED-QWHCGFSZSA-N 2 3 253.390 0.711 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662275034 414704062 /nfs/dbraw/zinc/70/40/62/414704062.db2.gz PYZBXZCNNNZTFS-HUUCEWRRSA-N 2 3 279.428 0.971 20 0 CCADHP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276435 414704813 /nfs/dbraw/zinc/70/48/13/414704813.db2.gz MOOIGFCMGVCHAT-QLFBSQMISA-N 2 3 279.428 0.971 20 0 CCADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423192063 295248616 /nfs/dbraw/zinc/24/86/16/295248616.db2.gz VHOHMIHGBLMJJI-KBPBESRZSA-N 2 3 254.422 0.389 20 0 CCADHP [NH3+]CCCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425383855 534605698 /nfs/dbraw/zinc/60/56/98/534605698.db2.gz KUSMSKHGFGTXAA-UHFFFAOYSA-N 2 3 252.362 0.970 20 0 CCADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788126 613233976 /nfs/dbraw/zinc/23/39/76/613233976.db2.gz CJWKESCCUKNPOB-LJISPDSOSA-N 2 3 265.401 0.296 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H](NCCN2CCC([NH3+])CC2)C1 ZINC000902405837 614701586 /nfs/dbraw/zinc/70/15/86/614701586.db2.gz OKYOGQKLKQJVME-CQSZACIVSA-N 2 3 268.449 0.777 20 0 CCADHP CCC1([NH3+])CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000903949122 614703941 /nfs/dbraw/zinc/70/39/41/614703941.db2.gz YNTOPMPDOGBXHC-ZDUSSCGKSA-N 2 3 282.432 0.387 20 0 CCADHP C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903747238 634635332 /nfs/dbraw/zinc/63/53/32/634635332.db2.gz QJTKTHSNGXMOLD-MJBXVCDLSA-N 2 3 253.390 0.426 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805670 634657459 /nfs/dbraw/zinc/65/74/59/634657459.db2.gz RGTHRYVCRSGIAA-XUWVNRHRSA-N 2 3 279.428 0.958 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805670 634657466 /nfs/dbraw/zinc/65/74/66/634657466.db2.gz RGTHRYVCRSGIAA-XUWVNRHRSA-N 2 3 279.428 0.958 20 0 CCADHP C[C@@]1(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000903980261 634701559 /nfs/dbraw/zinc/70/15/59/634701559.db2.gz MEGYJSXGMHPQPB-IXDOHACOSA-N 2 3 292.471 0.887 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000925722926 648457297 /nfs/dbraw/zinc/45/72/97/648457297.db2.gz LQWLYIWYZLCEAJ-XVIXHAIJSA-N 2 3 265.401 0.613 20 0 CCADHP C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817983 648464242 /nfs/dbraw/zinc/46/42/42/648464242.db2.gz YRDUEZUIIGDLJP-GXTWGEPZSA-N 2 3 254.422 0.387 20 0 CCADHP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925848247 648466388 /nfs/dbraw/zinc/46/63/88/648466388.db2.gz DCDVNZYEOZWARB-FRRDWIJNSA-N 2 3 281.400 0.531 20 0 CCADHP CC1(C)NC[C@@H](C[N@@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)O1 ZINC001236623475 806599460 /nfs/dbraw/zinc/59/94/60/806599460.db2.gz UKLKVAKWRNRJJL-KGLIPLIRSA-N 2 3 282.432 0.208 20 0 CCADHP CC1(C)NC[C@@H](C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)O1 ZINC001236623475 806599464 /nfs/dbraw/zinc/59/94/64/806599464.db2.gz UKLKVAKWRNRJJL-KGLIPLIRSA-N 2 3 282.432 0.208 20 0 CCADHP CC[NH+](CC)C1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160478323 801948877 /nfs/dbraw/zinc/94/88/77/801948877.db2.gz QREPVKYKIKCARH-ZDUSSCGKSA-N 2 3 270.421 0.385 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448244 802155631 /nfs/dbraw/zinc/15/56/31/802155631.db2.gz ACBCRGZLYQIXQN-KGLIPLIRSA-N 2 3 296.459 0.374 20 0 CCADHP [NH3+]C[C@]1(F)CCC[N@H+](CC[C@H]2CNCCO2)CC1 ZINC001205545760 803146709 /nfs/dbraw/zinc/14/67/09/803146709.db2.gz MXNZDMMQAPGGQX-STQMWFEESA-N 2 3 259.369 0.518 20 0 CCADHP [NH3+]C[C@]1(F)CCC[N@@H+](CC[C@H]2CNCCO2)CC1 ZINC001205545760 803146713 /nfs/dbraw/zinc/14/67/13/803146713.db2.gz MXNZDMMQAPGGQX-STQMWFEESA-N 2 3 259.369 0.518 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218994743 804178668 /nfs/dbraw/zinc/17/86/68/804178668.db2.gz KVMDIWFGHLINHR-TZMCWYRMSA-N 2 3 276.384 0.768 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703104 804410119 /nfs/dbraw/zinc/41/01/19/804410119.db2.gz BAMZVLUFZYVYMZ-AWEZNQCLSA-N 2 3 276.384 0.015 20 0 CCADHP CCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001219953995 804457744 /nfs/dbraw/zinc/45/77/44/804457744.db2.gz AFLFQXZOMWPAAS-CZUORRHYSA-N 2 3 294.443 0.176 20 0 CCADHP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC12CNC2)CC(C)(C)CC[NH3+] ZINC001220763400 804662264 /nfs/dbraw/zinc/66/22/64/804662264.db2.gz AODWANPKPUJYJE-CHWSQXEVSA-N 2 3 296.459 0.313 20 0 CCADHP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001221403360 804805041 /nfs/dbraw/zinc/80/50/41/804805041.db2.gz RXQQIEZBHSWQHD-RUXDESIVSA-N 2 3 294.443 0.032 20 0 CCADHP OC1(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC[NH2+]CC1 ZINC001246057671 807136417 /nfs/dbraw/zinc/13/64/17/807136417.db2.gz BXEKIPADYMOVIK-STQMWFEESA-N 2 3 253.390 0.175 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124415 807159610 /nfs/dbraw/zinc/15/96/10/807159610.db2.gz FHNYKHVKDGGKSV-CHWSQXEVSA-N 2 3 253.390 0.487 20 0 CCADHP C(N[C@H]1CCCC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246130539 807160616 /nfs/dbraw/zinc/16/06/16/807160616.db2.gz VBKRNQCRUOXKJV-UONOGXRCSA-N 2 3 266.433 0.592 20 0 CCADHP C[C@@H]1C[C@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246132650 807162060 /nfs/dbraw/zinc/16/20/60/807162060.db2.gz MJBGAXWBLIDEOP-JHJVBQTASA-N 2 3 253.390 0.628 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CCN1 ZINC001246138699 807164157 /nfs/dbraw/zinc/16/41/57/807164157.db2.gz NSWVMQZSUDXQAH-JHJVBQTASA-N 2 3 253.390 0.485 20 0 CCADHP C[C@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246139643 807164193 /nfs/dbraw/zinc/16/41/93/807164193.db2.gz DKZCIGXFRWKRSY-MJBXVCDLSA-N 2 3 266.433 0.591 20 0 CCADHP CC[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246142298 807165120 /nfs/dbraw/zinc/16/51/20/807165120.db2.gz IINYBCQURQTIPM-RBSFLKMASA-N 2 3 280.460 0.981 20 0 CCADHP CC[NH+](CC)C1CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246585793 807304996 /nfs/dbraw/zinc/30/49/96/807304996.db2.gz QQVZJXSJWXVBMN-PPWQZUPISA-N 2 3 269.433 0.891 20 0 CCADHP CC[NH+](CC)C1CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246585793 807305005 /nfs/dbraw/zinc/30/50/05/807305005.db2.gz QQVZJXSJWXVBMN-PPWQZUPISA-N 2 3 269.433 0.891 20 0 CCADHP C[C@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615374 807323205 /nfs/dbraw/zinc/32/32/05/807323205.db2.gz SEJHGDOQLUIBOF-UONOGXRCSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@H]1C[C@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615374 807323214 /nfs/dbraw/zinc/32/32/14/807323214.db2.gz SEJHGDOQLUIBOF-UONOGXRCSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@H]1C[C@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615374 807323223 /nfs/dbraw/zinc/32/32/23/807323223.db2.gz SEJHGDOQLUIBOF-UONOGXRCSA-N 2 3 267.417 0.829 20 0 CCADHP C1CC2(C[C@H]1N1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CC[NH2+]CC2 ZINC001246621133 807328444 /nfs/dbraw/zinc/32/84/44/807328444.db2.gz DTJPVUMJPFZYOY-QLFBSQMISA-N 2 3 279.428 0.829 20 0 CCADHP CCCN1C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246938656 807436242 /nfs/dbraw/zinc/43/62/42/807436242.db2.gz FQUWWFAYBUAJND-QLFBSQMISA-N 2 3 278.444 0.354 20 0 CCADHP CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246938656 807436244 /nfs/dbraw/zinc/43/62/44/807436244.db2.gz FQUWWFAYBUAJND-QLFBSQMISA-N 2 3 278.444 0.354 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH2+]CC2)CCN1 ZINC001246112976 839624100 /nfs/dbraw/zinc/62/41/00/839624100.db2.gz HEQLOXSFVTYFEN-OLZOCXBDSA-N 2 3 255.406 0.875 20 0 CCADHP [NH3+]C[C@@]1(O)CCCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246545221 839960369 /nfs/dbraw/zinc/96/03/69/839960369.db2.gz UXHXGZUKLUSVLS-ZOBORPQBSA-N 2 3 253.390 0.445 20 0 CCADHP C[C@@H]1CC[N@@H+]([C@H]2CCOC3(CNC3)C2)CC[C@@H]1C[NH3+] ZINC001246563640 840032360 /nfs/dbraw/zinc/03/23/60/840032360.db2.gz XLWMOFVQPGDDGD-MCIONIFRSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1CC[N@H+]([C@H]2CCOC3(CNC3)C2)CC[C@@H]1C[NH3+] ZINC001246563640 840032368 /nfs/dbraw/zinc/03/23/68/840032368.db2.gz XLWMOFVQPGDDGD-MCIONIFRSA-N 2 3 267.417 0.814 20 0 CCADHP C[N@H+](C[C@H]1CCCNC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849747 840305243 /nfs/dbraw/zinc/30/52/43/840305243.db2.gz RWBXFMAMXAVILF-STQMWFEESA-N 2 3 252.406 0.012 20 0 CCADHP C[N@@H+](C[C@H]1CCCNC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849747 840305254 /nfs/dbraw/zinc/30/52/54/840305254.db2.gz RWBXFMAMXAVILF-STQMWFEESA-N 2 3 252.406 0.012 20 0 CCADHP CC1(C)[NH2+][C@@H](CCN2CCC[C@@](O)(C[NH3+])CC2)CO1 ZINC001205210669 897413272 /nfs/dbraw/zinc/41/32/72/897413272.db2.gz QMMGNRXGKGVSFO-JSGCOSHPSA-N 2 3 271.405 0.277 20 0 CCADHP C(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607150994 363343288 /nfs/dbraw/zinc/34/32/88/363343288.db2.gz YPRXLBVZWBTLMO-YHUYYLMFSA-N 2 3 278.444 0.069 20 0 CCADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000568392532 358670490 /nfs/dbraw/zinc/67/04/90/358670490.db2.gz HJGUZAHMHGWXSM-NILFDRSVSA-N 2 3 263.385 0.987 20 0 CCADHP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629565424 369712838 /nfs/dbraw/zinc/71/28/38/369712838.db2.gz OOXOAPFELMJJLG-MRXNPFEDSA-N 2 3 298.475 0.059 20 0 CCADHP NC[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423192066 295268289 /nfs/dbraw/zinc/26/82/89/295268289.db2.gz VHOHMIHGBLMJJI-ZIAGYGMSSA-N 2 3 254.422 0.389 20 0 CCADHP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196193 390228033 /nfs/dbraw/zinc/22/80/33/390228033.db2.gz ACJRRLWRZOCVSF-CABCVRRESA-N 2 3 266.433 0.213 20 0 CCADHP C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196193 390228035 /nfs/dbraw/zinc/22/80/35/390228035.db2.gz ACJRRLWRZOCVSF-CABCVRRESA-N 2 3 266.433 0.213 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000521435934 390605551 /nfs/dbraw/zinc/60/55/51/390605551.db2.gz GSXFWNBMGZVFKW-SOUVJXGZSA-N 2 3 294.443 0.115 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000521435934 390605553 /nfs/dbraw/zinc/60/55/53/390605553.db2.gz GSXFWNBMGZVFKW-SOUVJXGZSA-N 2 3 294.443 0.115 20 0 CCADHP C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761928 397755807 /nfs/dbraw/zinc/75/58/07/397755807.db2.gz NRXGCCDSLZNNDJ-YUTCNCBUSA-N 2 3 255.406 0.718 20 0 CCADHP CN1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400977484 411780258 /nfs/dbraw/zinc/78/02/58/411780258.db2.gz HAVWUOREGLTDIC-MGPQQGTHSA-N 2 3 267.417 0.421 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295258 414707288 /nfs/dbraw/zinc/70/72/88/414707288.db2.gz USKXUPWIUODPIV-HUUCEWRRSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH+](C)C[C@@H]1CN(c2ccncc2CO)C[C@H]1C[NH+](C)C ZINC000894872284 615931585 /nfs/dbraw/zinc/93/15/85/615931585.db2.gz RFRHJROJEXJFJG-HUUCEWRRSA-N 2 3 292.427 0.750 20 0 CCADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904388873 616800912 /nfs/dbraw/zinc/80/09/12/616800912.db2.gz PWKSEZQJIICWIG-XRGAULLZSA-N 2 3 295.427 0.588 20 0 CCADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904388873 616800916 /nfs/dbraw/zinc/80/09/16/616800916.db2.gz PWKSEZQJIICWIG-XRGAULLZSA-N 2 3 295.427 0.588 20 0 CCADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@]1(C)CC[NH2+]C1)C2 ZINC000903977319 616801939 /nfs/dbraw/zinc/80/19/39/616801939.db2.gz OVTFERHUJYPPPC-NEBZKDRISA-N 2 3 281.400 0.198 20 0 CCADHP C[C@@](C[NH3+])(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903717746 634629759 /nfs/dbraw/zinc/62/97/59/634629759.db2.gz VLXDYHVARCTIMU-KGLIPLIRSA-N 2 3 267.417 0.862 20 0 CCADHP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903841161 634664772 /nfs/dbraw/zinc/66/47/72/634664772.db2.gz BLBZBKOJODTTSN-QNWHQSFQSA-N 2 3 251.374 0.319 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@H](C)CCCC[NH3+])cnn1C ZINC000903918823 634686359 /nfs/dbraw/zinc/68/63/59/634686359.db2.gz IVHDVFKIMCRJGY-TZMCWYRMSA-N 2 3 281.448 0.953 20 0 CCADHP c1cc(N2CC[NH2+]CC2)oc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000904354631 634733031 /nfs/dbraw/zinc/73/30/31/634733031.db2.gz HXQOAYFCIYQZFT-AWEZNQCLSA-N 2 3 290.411 0.921 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000923390211 640115192 /nfs/dbraw/zinc/11/51/92/640115192.db2.gz UNHSFLKNUQOVHR-QPSCCSFWSA-N 2 3 267.417 0.549 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925816330 648464716 /nfs/dbraw/zinc/46/47/16/648464716.db2.gz DXSQIODNSDMNHL-UONOGXRCSA-N 2 3 254.422 0.659 20 0 CCADHP N[C@@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842282 648465447 /nfs/dbraw/zinc/46/54/47/648465447.db2.gz LDOBCPMUQRIQMG-KGLIPLIRSA-N 2 3 254.422 0.531 20 0 CCADHP C[C@H]([NH3+])CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001236434450 806591891 /nfs/dbraw/zinc/59/18/91/806591891.db2.gz UBBKQXVIZKEQJM-ZDUSSCGKSA-N 2 3 254.422 0.293 20 0 CCADHP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(n1)CCNC2 ZINC001157094170 801299211 /nfs/dbraw/zinc/29/92/11/801299211.db2.gz LRZJGSOVLUSETR-UHFFFAOYSA-N 2 3 262.361 0.402 20 0 CCADHP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157841145 801498395 /nfs/dbraw/zinc/49/83/95/801498395.db2.gz FFPMQTFXOPLCLU-TUAOUCFPSA-N 2 3 256.394 0.029 20 0 CCADHP CN(C)c1ccncc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218562958 804007410 /nfs/dbraw/zinc/00/74/10/804007410.db2.gz IUZRWEWXYQQWAW-ZDUSSCGKSA-N 2 3 277.372 0.413 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cnccc1N(C)C ZINC001218564371 804008751 /nfs/dbraw/zinc/00/87/51/804008751.db2.gz YFSCWBBPZVCYHN-NSHDSACASA-N 2 3 279.388 0.803 20 0 CCADHP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001219646568 804391566 /nfs/dbraw/zinc/39/15/66/804391566.db2.gz VKZICCMQNJJIDL-MCIONIFRSA-N 2 3 284.448 0.407 20 0 CCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220334007 804576511 /nfs/dbraw/zinc/57/65/11/804576511.db2.gz YWUYVFSRMQGHLZ-OLZOCXBDSA-N 2 3 270.421 0.289 20 0 CCADHP CCCC(C[NH3+])(CCC)NC(=O)[C@H](N)CCC[NH3+] ZINC001221373011 804791588 /nfs/dbraw/zinc/79/15/88/804791588.db2.gz VQXPOQFRLXMVES-LLVKDONJSA-N 2 3 258.410 0.467 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333383 804780088 /nfs/dbraw/zinc/78/00/88/804780088.db2.gz SXVYAWXAEZDVGF-GJZGRUSLSA-N 2 3 290.411 0.355 20 0 CCADHP CC(C)N(C(=O)[C@@H](N)CCCC[NH3+])C(C)(C)C[NH3+] ZINC001221394657 804800749 /nfs/dbraw/zinc/80/07/49/804800749.db2.gz TUKLGRFSTGPBAD-NSHDSACASA-N 2 3 258.410 0.417 20 0 CCADHP [NH3+]C12CC(CN3CC[NH2+]C[C@@]4(CCCCN4)C3)(C1)C2 ZINC001222666201 804923244 /nfs/dbraw/zinc/92/32/44/804923244.db2.gz ABUKYTQTIDWLKT-NRXISQOPSA-N 2 3 264.417 0.285 20 0 CCADHP O[C@@]1(C[NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNC[C@@H]1F ZINC001246078418 807144020 /nfs/dbraw/zinc/14/40/20/807144020.db2.gz AKEOQUMBCXXROV-VNHYZAJKSA-N 2 3 285.407 0.561 20 0 CCADHP C(N[C@H]1CCC[NH2+]C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246129182 807161240 /nfs/dbraw/zinc/16/12/40/807161240.db2.gz SWBBFLQESMIEIU-QWHCGFSZSA-N 2 3 252.406 0.202 20 0 CCADHP C[C@@H]1C[C@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246141371 807164904 /nfs/dbraw/zinc/16/49/04/807164904.db2.gz KGIREKFRQUTVDX-BJJPWKGXSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246141371 807164907 /nfs/dbraw/zinc/16/49/07/807164907.db2.gz KGIREKFRQUTVDX-BJJPWKGXSA-N 2 3 253.390 0.341 20 0 CCADHP c1cc2n(c1)C[C@H](CCN[C@@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246141266 807165085 /nfs/dbraw/zinc/16/50/85/807165085.db2.gz POYCEZPYLFQLIM-ZIAGYGMSSA-N 2 3 262.401 0.939 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246142366 807165167 /nfs/dbraw/zinc/16/51/67/807165167.db2.gz IKDIDKIAKKGZAY-MBOZISHXSA-N 2 3 278.444 0.733 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246144108 807166267 /nfs/dbraw/zinc/16/62/67/807166267.db2.gz BOOWOCIYHXWLHE-DGADGQDISA-N 2 3 279.428 0.733 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246147625 807167389 /nfs/dbraw/zinc/16/73/89/807167389.db2.gz YWHZYPPQIZCEBI-KBXIAJHMSA-N 2 3 283.416 0.112 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246147619 807167793 /nfs/dbraw/zinc/16/77/93/807167793.db2.gz YWHZYPPQIZCEBI-APIJFGDWSA-N 2 3 283.416 0.112 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246156211 807171287 /nfs/dbraw/zinc/17/12/87/807171287.db2.gz KENFASZKVBHGQC-TUVASFSCSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1CN ZINC001246543058 807278677 /nfs/dbraw/zinc/27/86/77/807278677.db2.gz SBEIMFMGUNBMIK-ZUJMUWTESA-N 2 3 267.417 0.814 20 0 CCADHP C[C@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1CN ZINC001246543058 807278681 /nfs/dbraw/zinc/27/86/81/807278681.db2.gz SBEIMFMGUNBMIK-ZUJMUWTESA-N 2 3 267.417 0.814 20 0 CCADHP C1CC2(C1)C[C@@H]([N@@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246592926 807312260 /nfs/dbraw/zinc/31/22/60/807312260.db2.gz DGDMCYYDQJVZCG-AWEZNQCLSA-N 2 3 278.444 0.689 20 0 CCADHP C1CC2(C1)C[C@@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)CCN2 ZINC001246592926 807312267 /nfs/dbraw/zinc/31/22/67/807312267.db2.gz DGDMCYYDQJVZCG-AWEZNQCLSA-N 2 3 278.444 0.689 20 0 CCADHP C1CC2(C[NH2+]1)CCC(N1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC001246620348 807328740 /nfs/dbraw/zinc/32/87/40/807328740.db2.gz ACLAIPIQTUFVJJ-YHNBSYBMSA-N 2 3 279.428 0.829 20 0 CCADHP C[C@@H]1C[C@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963362 807441855 /nfs/dbraw/zinc/44/18/55/807441855.db2.gz AGYZMQLORCDVEG-VNHYZAJKSA-N 2 3 266.433 0.624 20 0 CCADHP C([C@H]1CCCNC1)[N@H+](C1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970980 807443763 /nfs/dbraw/zinc/44/37/63/807443763.db2.gz FFYNUGKIWHKEID-ZFWWWQNUSA-N 2 3 278.444 0.544 20 0 CCADHP C([C@H]1CCCNC1)[N@@H+](C1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970980 807443767 /nfs/dbraw/zinc/44/37/67/807443767.db2.gz FFYNUGKIWHKEID-ZFWWWQNUSA-N 2 3 278.444 0.544 20 0 CCADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@H](C)C2)CCC12C[NH2+]C2 ZINC001247010531 807453220 /nfs/dbraw/zinc/45/32/20/807453220.db2.gz WICWRJYPNWHZBC-RDBSUJKOSA-N 2 3 295.427 0.602 20 0 CCADHP C[C@H]1C[C@@H]([NH2+]CCCOC2CC[NH2+]CC2)CCN1 ZINC001246112983 839623718 /nfs/dbraw/zinc/62/37/18/839623718.db2.gz HEQLOXSFVTYFEN-STQMWFEESA-N 2 3 255.406 0.875 20 0 CCADHP C(C[C@@H]1CCCC[NH2+]1)N[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246241917 839737003 /nfs/dbraw/zinc/73/70/03/839737003.db2.gz CYZKDJHLYDPKAD-NWDGAFQWSA-N 2 3 255.431 0.956 20 0 CCADHP CCN(CC)CC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246420160 839836920 /nfs/dbraw/zinc/83/69/20/839836920.db2.gz WXQPIGHHEFYBDY-STQMWFEESA-N 2 3 272.437 0.679 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC001333599659 919032053 /nfs/dbraw/zinc/03/20/53/919032053.db2.gz YAZNHRMDCIIHMQ-HRCADAONSA-N 2 3 296.459 0.156 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001334339656 919507594 /nfs/dbraw/zinc/50/75/94/919507594.db2.gz XQJHWHZNAJRDAB-QWHCGFSZSA-N 2 3 253.390 0.568 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC([NH3+])CC1 ZINC000638129476 374698246 /nfs/dbraw/zinc/69/82/46/374698246.db2.gz XWFDLDACAXTBEM-UHFFFAOYSA-N 2 3 299.463 0.391 20 0 CCADHP C[C@H]1CCNC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512318 389597575 /nfs/dbraw/zinc/59/75/75/389597575.db2.gz PRXGMCGFPVLRNL-LBDPXKHJSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@H]1CCNC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512318 389597581 /nfs/dbraw/zinc/59/75/81/389597581.db2.gz PRXGMCGFPVLRNL-LBDPXKHJSA-N 2 3 280.460 0.790 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579363212 390166637 /nfs/dbraw/zinc/16/66/37/390166637.db2.gz IREFALYTBNYSPY-IHRRRGAJSA-N 2 3 255.406 0.278 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579363212 390166639 /nfs/dbraw/zinc/16/66/39/390166639.db2.gz IREFALYTBNYSPY-IHRRRGAJSA-N 2 3 255.406 0.278 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579363212 390166643 /nfs/dbraw/zinc/16/66/43/390166643.db2.gz IREFALYTBNYSPY-IHRRRGAJSA-N 2 3 255.406 0.278 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000580074201 390217975 /nfs/dbraw/zinc/21/79/75/390217975.db2.gz IJTXYNIREZSZAL-CBBWQLFWSA-N 2 3 294.443 0.243 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000580074201 390217978 /nfs/dbraw/zinc/21/79/78/390217978.db2.gz IJTXYNIREZSZAL-CBBWQLFWSA-N 2 3 294.443 0.243 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580839234 390248743 /nfs/dbraw/zinc/24/87/43/390248743.db2.gz OHYFTZOYDRACHX-UONOGXRCSA-N 2 3 255.406 0.421 20 0 CCADHP C[NH2+]CCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000647509975 390826068 /nfs/dbraw/zinc/82/60/68/390826068.db2.gz RIURQANQSDKLTE-OAHLLOKOSA-N 2 3 296.459 0.505 20 0 CCADHP CCO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000650713809 397748119 /nfs/dbraw/zinc/74/81/19/397748119.db2.gz CQUHACDFPHZPMI-REWJHTLYSA-N 2 3 255.406 0.670 20 0 CCADHP CCO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000650713809 397748124 /nfs/dbraw/zinc/74/81/24/397748124.db2.gz CQUHACDFPHZPMI-REWJHTLYSA-N 2 3 255.406 0.670 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662273309 414703800 /nfs/dbraw/zinc/70/38/00/414703800.db2.gz LORMLWLQBAUMDS-KFWWJZLASA-N 2 3 295.427 0.336 20 0 CCADHP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCNCC1 ZINC000923327814 614584265 /nfs/dbraw/zinc/58/42/65/614584265.db2.gz RGHLIQALSUWSBK-AWEZNQCLSA-N 2 3 267.417 0.829 20 0 CCADHP CCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCNCC1 ZINC000923327814 614584268 /nfs/dbraw/zinc/58/42/68/614584268.db2.gz RGHLIQALSUWSBK-AWEZNQCLSA-N 2 3 267.417 0.829 20 0 CCADHP CCCN(C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923327814 614584271 /nfs/dbraw/zinc/58/42/71/614584271.db2.gz RGHLIQALSUWSBK-AWEZNQCLSA-N 2 3 267.417 0.829 20 0 CCADHP CN(C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000903717448 616163355 /nfs/dbraw/zinc/16/33/55/616163355.db2.gz QKFFBGACAPSKJT-TZMCWYRMSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@]1(C[NH3+])CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903747765 634635267 /nfs/dbraw/zinc/63/52/67/634635267.db2.gz WSWHKIDVYRFJCS-ZIAGYGMSSA-N 2 3 267.417 0.816 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805669 634657670 /nfs/dbraw/zinc/65/76/70/634657670.db2.gz RGTHRYVCRSGIAA-CAOSSQGBSA-N 2 3 279.428 0.958 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805669 634657679 /nfs/dbraw/zinc/65/76/79/634657679.db2.gz RGTHRYVCRSGIAA-CAOSSQGBSA-N 2 3 279.428 0.958 20 0 CCADHP C[C@@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000925811911 648463554 /nfs/dbraw/zinc/46/35/54/648463554.db2.gz UKQMDSYJEZQWBN-OCCSQVGLSA-N 2 3 254.422 0.482 20 0 CCADHP C[C@@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1C ZINC000925811911 648463558 /nfs/dbraw/zinc/46/35/58/648463558.db2.gz UKQMDSYJEZQWBN-OCCSQVGLSA-N 2 3 254.422 0.482 20 0 CCADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816938 648464045 /nfs/dbraw/zinc/46/40/45/648464045.db2.gz LUPTZXUHPMLSNG-LBPRGKRZSA-N 2 3 291.443 0.922 20 0 CCADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)C[NH2+]1 ZINC001219684453 804403244 /nfs/dbraw/zinc/40/32/44/804403244.db2.gz NTANGBLEBFYIBS-UPJWGTAASA-N 2 3 270.421 0.160 20 0 CCADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220062026 804490927 /nfs/dbraw/zinc/49/09/27/804490927.db2.gz JROQADDFYRZEJY-OLZOCXBDSA-N 2 3 270.421 0.433 20 0 CCADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220062026 804490929 /nfs/dbraw/zinc/49/09/29/804490929.db2.gz JROQADDFYRZEJY-OLZOCXBDSA-N 2 3 270.421 0.433 20 0 CCADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252230 804549837 /nfs/dbraw/zinc/54/98/37/804549837.db2.gz RXXLDPWVIYIMKG-KBPBESRZSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252230 804549839 /nfs/dbraw/zinc/54/98/39/804549839.db2.gz RXXLDPWVIYIMKG-KBPBESRZSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252230 804549842 /nfs/dbraw/zinc/54/98/42/804549842.db2.gz RXXLDPWVIYIMKG-KBPBESRZSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252230 804549846 /nfs/dbraw/zinc/54/98/46/804549846.db2.gz RXXLDPWVIYIMKG-KBPBESRZSA-N 2 3 294.443 0.461 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001221391724 804798350 /nfs/dbraw/zinc/79/83/50/804798350.db2.gz ZUUUFRVXDNGFCG-RYUDHWBXSA-N 2 3 283.420 0.438 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)C[C@H]1CCC[NH2+]C1 ZINC001221391070 804799091 /nfs/dbraw/zinc/79/90/91/804799091.db2.gz WECOJEGWCJVIPN-GFCCVEGCSA-N 2 3 283.420 0.440 20 0 CCADHP O[C@@]1(C[NH2+]C2CCC3(C[NH2+]C3)CC2)CCNC[C@@H]1F ZINC001246086347 807148590 /nfs/dbraw/zinc/14/85/90/807148590.db2.gz ZZXVZTIZPCOSBB-GXTWGEPZSA-N 2 3 271.380 0.171 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246135513 807162801 /nfs/dbraw/zinc/16/28/01/807162801.db2.gz ZESHDUWZRQUQHZ-PIGZVRMJSA-N 2 3 265.401 0.770 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CCN1 ZINC001246138696 807163819 /nfs/dbraw/zinc/16/38/19/807163819.db2.gz NSWVMQZSUDXQAH-AGIUHOORSA-N 2 3 253.390 0.485 20 0 CCADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246147452 807167369 /nfs/dbraw/zinc/16/73/69/807167369.db2.gz KTAGUUIVPXJBJC-AAVRWANBSA-N 2 3 253.390 0.628 20 0 CCADHP CN1CCC[C@@H]1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246230321 807192955 /nfs/dbraw/zinc/19/29/55/807192955.db2.gz AIESVABIRZTBDB-QWHCGFSZSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246577228 807298085 /nfs/dbraw/zinc/29/80/85/807298085.db2.gz NUSIQBNMLUAYIS-KBPBESRZSA-N 2 3 267.417 0.958 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246577228 807298088 /nfs/dbraw/zinc/29/80/88/807298088.db2.gz NUSIQBNMLUAYIS-KBPBESRZSA-N 2 3 267.417 0.958 20 0 CCADHP C1C[C@H]2CC(N3CCNC4(CC[NH2+]CC4)C3)C[C@@H]1[NH2+]2 ZINC001246599575 807317517 /nfs/dbraw/zinc/31/75/17/807317517.db2.gz DALPRUSXTQJFTC-PBWFPOADSA-N 2 3 264.417 0.297 20 0 CCADHP C1[NH2+]C[C@H]2C[C@H]([N@@H+]3CCN[C@H]4CCNCC[C@@H]43)C[C@@H]12 ZINC001246620891 807328040 /nfs/dbraw/zinc/32/80/40/807328040.db2.gz ZZGMTGSTUNSWOM-QRTUWBSPSA-N 2 3 264.417 0.010 20 0 CCADHP C1[NH2+]C[C@H]2C[C@H]([N@H+]3CCN[C@H]4CCNCC[C@@H]43)C[C@@H]12 ZINC001246620891 807328049 /nfs/dbraw/zinc/32/80/49/807328049.db2.gz ZZGMTGSTUNSWOM-QRTUWBSPSA-N 2 3 264.417 0.010 20 0 CCADHP CC[NH+]1CCC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246147508 839643743 /nfs/dbraw/zinc/64/37/43/839643743.db2.gz PWCWLCBCWQNVBF-OAHLLOKOSA-N 2 3 280.460 0.935 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001160443118 839884477 /nfs/dbraw/zinc/88/44/77/839884477.db2.gz FEULMJRUALYTTQ-CQSZACIVSA-N 2 3 276.384 0.671 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460909 839895990 /nfs/dbraw/zinc/89/59/90/839895990.db2.gz GZZLFFJJVSSRCF-GJZGRUSLSA-N 2 3 296.459 0.920 20 0 CCADHP NC[C@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001206455002 843522570 /nfs/dbraw/zinc/52/25/70/843522570.db2.gz IMZSBDTWOLYEQA-QWHCGFSZSA-N 2 3 253.390 0.018 20 0 CCADHP NC[C@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001206455002 843522573 /nfs/dbraw/zinc/52/25/73/843522573.db2.gz IMZSBDTWOLYEQA-QWHCGFSZSA-N 2 3 253.390 0.018 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001339226938 921687744 /nfs/dbraw/zinc/68/77/44/921687744.db2.gz YBHWAHDHQNDAGR-FRRDWIJNSA-N 2 3 268.405 0.043 20 0 CCADHP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422739711 282098196 /nfs/dbraw/zinc/09/81/96/282098196.db2.gz LOYKARXOTLGTGD-HOTGVXAUSA-N 2 3 282.476 0.977 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC(CC[NH3+])CC2)C1 ZINC000584722620 359195895 /nfs/dbraw/zinc/19/58/95/359195895.db2.gz BEKMRGXAZCDHFO-CQSZACIVSA-N 2 3 282.432 0.245 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443063482 389872810 /nfs/dbraw/zinc/87/28/10/389872810.db2.gz WQWGOMDDWNAOER-CQSZACIVSA-N 2 3 296.459 0.648 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708741 397746251 /nfs/dbraw/zinc/74/62/51/397746251.db2.gz KQYJCKVAHGEONH-BFHYXJOUSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708741 397746256 /nfs/dbraw/zinc/74/62/56/397746256.db2.gz KQYJCKVAHGEONH-BFHYXJOUSA-N 2 3 267.417 0.944 20 0 CCADHP C[NH2+]CCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349209 412034225 /nfs/dbraw/zinc/03/42/25/412034225.db2.gz FRJHKRKGONNLOJ-MJBXVCDLSA-N 2 3 255.406 0.814 20 0 CCADHP C[NH+](C)CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260000 414701437 /nfs/dbraw/zinc/70/14/37/414701437.db2.gz DRWHSUSWVBCORM-CQSZACIVSA-N 2 3 267.417 0.781 20 0 CCADHP CN1CCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000357346234 289114228 /nfs/dbraw/zinc/11/42/28/289114228.db2.gz MCWGOVSGZLDZHP-OAHLLOKOSA-N 2 3 298.475 0.813 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000576166093 335163604 /nfs/dbraw/zinc/16/36/04/335163604.db2.gz DHQFLCIRUCJHDJ-KFWWJZLASA-N 2 3 285.432 0.175 20 0 CCADHP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753141 614032987 /nfs/dbraw/zinc/03/29/87/614032987.db2.gz RRDWCMQORFDGDV-OBJOEFQTSA-N 2 3 255.406 0.718 20 0 CCADHP COCC1(CN[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC000925701298 616775954 /nfs/dbraw/zinc/77/59/54/616775954.db2.gz XDWYTGDYJVUGAR-STQMWFEESA-N 2 3 255.406 0.733 20 0 CCADHP C[NH2+]C[C@@](C)(O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903791293 616987704 /nfs/dbraw/zinc/98/77/04/616987704.db2.gz QZBDGSXFGWFDKN-CQSZACIVSA-N 2 3 257.422 0.654 20 0 CCADHP O[C@H](CN1CCC2(C1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000311699432 623792034 /nfs/dbraw/zinc/79/20/34/623792034.db2.gz LTWIJNXNPKLWFY-AWEZNQCLSA-N 2 3 267.417 0.519 20 0 CCADHP C[C@@]1(C[NH3+])CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903747762 634634965 /nfs/dbraw/zinc/63/49/65/634634965.db2.gz WSWHKIDVYRFJCS-KBPBESRZSA-N 2 3 267.417 0.816 20 0 CCADHP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160456496 801945276 /nfs/dbraw/zinc/94/52/76/801945276.db2.gz KWNSETZSZQBUMH-AWEZNQCLSA-N 2 3 294.443 0.319 20 0 CCADHP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160456496 801945278 /nfs/dbraw/zinc/94/52/78/801945278.db2.gz KWNSETZSZQBUMH-AWEZNQCLSA-N 2 3 294.443 0.319 20 0 CCADHP CC[NH+](CC)C1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160482175 801948759 /nfs/dbraw/zinc/94/87/59/801948759.db2.gz ALBOCGMWPJFUOU-HNNXBMFYSA-N 2 3 296.459 0.646 20 0 CCADHP CN1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@@H]21 ZINC001161084435 802086646 /nfs/dbraw/zinc/08/66/46/802086646.db2.gz YCFUSKINXBLVSU-ILXRZTDVSA-N 2 3 296.459 0.598 20 0 CCADHP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@H](C)N1 ZINC001161229756 802112676 /nfs/dbraw/zinc/11/26/76/802112676.db2.gz UIZHVCMINSYYIZ-AVGNSLFASA-N 2 3 270.421 0.254 20 0 CCADHP [NH3+]C[C@@]1(F)CCCN(Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001205559606 803147781 /nfs/dbraw/zinc/14/77/81/803147781.db2.gz SOKIHDJHKKZDOO-OAHLLOKOSA-N 2 3 295.406 0.682 20 0 CCADHP [NH3+][C@@H]1CCN(CC2CC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001205946434 803189259 /nfs/dbraw/zinc/18/92/59/803189259.db2.gz MCOCOIAMJFVFDD-CHWSQXEVSA-N 2 3 253.390 0.160 20 0 CCADHP CN(C)c1ccncc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218563098 804007312 /nfs/dbraw/zinc/00/73/12/804007312.db2.gz KMSOUPDEOHSUBE-VIFPVBQESA-N 2 3 251.334 0.152 20 0 CCADHP CC[NH+](CC)CCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219555904 804347076 /nfs/dbraw/zinc/34/70/76/804347076.db2.gz XWUHLVVAEWGYLN-AWEZNQCLSA-N 2 3 286.464 0.940 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816220 804427435 /nfs/dbraw/zinc/42/74/35/804427435.db2.gz FBYXUTKZRCIPMH-MCIONIFRSA-N 2 3 276.384 0.272 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@]1(C)CC[NH2+]C1 ZINC001221390998 804799397 /nfs/dbraw/zinc/79/93/97/804799397.db2.gz JSQHOVHGKWZWMR-CYBMUJFWSA-N 2 3 269.393 0.050 20 0 CCADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC001246017942 807117249 /nfs/dbraw/zinc/11/72/49/807117249.db2.gz UIUCWBKZTRJIQF-JKSUJKDBSA-N 2 3 277.412 0.588 20 0 CCADHP OC1(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC[NH2+]CC1 ZINC001246057668 807136531 /nfs/dbraw/zinc/13/65/31/807136531.db2.gz BXEKIPADYMOVIK-OLZOCXBDSA-N 2 3 253.390 0.175 20 0 CCADHP C[NH2+]C[C@@H]1CCCN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246547956 807282718 /nfs/dbraw/zinc/28/27/18/807282718.db2.gz HBSOAXFNVTVGSC-STQMWFEESA-N 2 3 252.406 0.012 20 0 CCADHP C(C1CC1)[NH+]1CCC(N2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246602631 807317404 /nfs/dbraw/zinc/31/74/04/807317404.db2.gz LNUXAUDAXPDWHL-UHFFFAOYSA-N 2 3 292.471 0.888 20 0 CCADHP C1[NH2+]CC12C[C@@H](N1CCC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246624836 807330107 /nfs/dbraw/zinc/33/01/07/807330107.db2.gz CRMJBFAFABWMKG-KBPBESRZSA-N 2 3 264.417 0.156 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001261837187 809104527 /nfs/dbraw/zinc/10/45/27/809104527.db2.gz WVESOOSSIUWMQS-MGPQQGTHSA-N 2 3 271.405 0.099 20 0 CCADHP CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022304 839582054 /nfs/dbraw/zinc/58/20/54/839582054.db2.gz QOOKNONRTSQLBE-KGLIPLIRSA-N 2 3 275.412 0.842 20 0 CCADHP CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022304 839582058 /nfs/dbraw/zinc/58/20/58/839582058.db2.gz QOOKNONRTSQLBE-KGLIPLIRSA-N 2 3 275.412 0.842 20 0 CCADHP C1[NH2+]CC12CCC(N1CCN[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246645466 840227640 /nfs/dbraw/zinc/22/76/40/840227640.db2.gz UYFCQYSQDKIRAZ-OAHLLOKOSA-N 2 3 264.417 0.156 20 0 CCADHP NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC001120269199 857025152 /nfs/dbraw/zinc/02/51/52/857025152.db2.gz OHBCRJZSOSRFEZ-OCCSQVGLSA-N 2 3 254.422 0.517 20 0 CCADHP [NH3+]CC[C@H]1CCCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001334339654 919509066 /nfs/dbraw/zinc/50/90/66/919509066.db2.gz XQJHWHZNAJRDAB-CHWSQXEVSA-N 2 3 253.390 0.568 20 0 CCADHP [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000564211389 291270522 /nfs/dbraw/zinc/27/05/22/291270522.db2.gz FFTPBKHRAMGZML-CVEARBPZSA-N 2 3 296.459 0.110 20 0 CCADHP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423190184 296123888 /nfs/dbraw/zinc/12/38/88/296123888.db2.gz SCSSQZMIRXSKGL-KGLIPLIRSA-N 2 3 254.422 0.402 20 0 CCADHP [NH3+][C@H]1CCCCC[C@@H]1NCCCN1CC[NH2+]CC1 ZINC000331922921 204299328 /nfs/dbraw/zinc/29/93/28/204299328.db2.gz CIFZCXJXFLZFKQ-KBPBESRZSA-N 2 3 254.422 0.531 20 0 CCADHP C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC[NH2+]1 ZINC000516432956 249162859 /nfs/dbraw/zinc/16/28/59/249162859.db2.gz VCQNPIRJRMCQFO-KBPBESRZSA-N 2 3 299.463 0.262 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443063473 389872791 /nfs/dbraw/zinc/87/27/91/389872791.db2.gz WQWGOMDDWNAOER-AWEZNQCLSA-N 2 3 296.459 0.648 20 0 CCADHP CN1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1(C)C ZINC000647796895 390174534 /nfs/dbraw/zinc/17/45/34/390174534.db2.gz QTOJOQDCRUMAFX-BZUAXINKSA-N 2 3 294.487 0.990 20 0 CCADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1C[NH2+]CCCO1 ZINC000647548105 390839734 /nfs/dbraw/zinc/83/97/34/390839734.db2.gz VLNRKJTYRCQOIB-IGQOVBAYSA-N 2 3 253.390 0.343 20 0 CCADHP CCO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000650713807 397748437 /nfs/dbraw/zinc/74/84/37/397748437.db2.gz CQUHACDFPHZPMI-AAVRWANBSA-N 2 3 255.406 0.670 20 0 CCADHP CCO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000650713807 397748443 /nfs/dbraw/zinc/74/84/43/397748443.db2.gz CQUHACDFPHZPMI-AAVRWANBSA-N 2 3 255.406 0.670 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650708743 397746107 /nfs/dbraw/zinc/74/61/07/397746107.db2.gz KQYJCKVAHGEONH-MELADBBJSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650708743 397746110 /nfs/dbraw/zinc/74/61/10/397746110.db2.gz KQYJCKVAHGEONH-MELADBBJSA-N 2 3 267.417 0.944 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662275035 414704140 /nfs/dbraw/zinc/70/41/40/414704140.db2.gz PYZBXZCNNNZTFS-LSDHHAIUSA-N 2 3 279.428 0.971 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000576166092 335163636 /nfs/dbraw/zinc/16/36/36/335163636.db2.gz DHQFLCIRUCJHDJ-ILXRZTDVSA-N 2 3 285.432 0.175 20 0 CCADHP CC[NH+](CC)CCOCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423040492 528143878 /nfs/dbraw/zinc/14/38/78/528143878.db2.gz UHQCASGTWRJMFL-SOUVJXGZSA-N 2 3 287.448 0.687 20 0 CCADHP CC(C)C[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877143315 614217787 /nfs/dbraw/zinc/21/77/87/614217787.db2.gz LKSNZHAHECKQHJ-KFWWJZLASA-N 2 3 298.475 0.558 20 0 CCADHP CN(C)CC[NH+](CCN(C)C)CC1CC[NH+](C)CC1 ZINC000894458975 615895452 /nfs/dbraw/zinc/89/54/52/615895452.db2.gz CKXLGNFXKBXSGN-UHFFFAOYSA-N 2 3 270.465 0.753 20 0 CCADHP C[NH+](C)CCN1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607311 615897562 /nfs/dbraw/zinc/89/75/62/615897562.db2.gz UWDVLVWWQFSYAI-OAHLLOKOSA-N 2 3 280.460 0.887 20 0 CCADHP CN(C)CC[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607311 615897564 /nfs/dbraw/zinc/89/75/64/615897564.db2.gz UWDVLVWWQFSYAI-OAHLLOKOSA-N 2 3 280.460 0.887 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+][C@H](C)CCCC[NH3+])cnn1C ZINC000903918822 634686010 /nfs/dbraw/zinc/68/60/10/634686010.db2.gz IVHDVFKIMCRJGY-OCCSQVGLSA-N 2 3 281.448 0.953 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+]CCC[C@@H]2CCC[NH2+]2)cnn1C ZINC000903919011 634686564 /nfs/dbraw/zinc/68/65/64/634686564.db2.gz KKKWLJREDSABRK-GDBMZVCRSA-N 2 3 293.459 0.968 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000923390210 640114333 /nfs/dbraw/zinc/11/43/33/640114333.db2.gz UNHSFLKNUQOVHR-AJNGGQMLSA-N 2 3 267.417 0.549 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000925790522 648462031 /nfs/dbraw/zinc/46/20/31/648462031.db2.gz INEJPJLNZGTROE-XLWJZTARSA-N 2 3 267.417 0.589 20 0 CCADHP [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817284 648464134 /nfs/dbraw/zinc/46/41/34/648464134.db2.gz PHVGWPZMVFLLFZ-OCCSQVGLSA-N 2 3 254.422 0.517 20 0 CCADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817284 648464138 /nfs/dbraw/zinc/46/41/38/648464138.db2.gz PHVGWPZMVFLLFZ-OCCSQVGLSA-N 2 3 254.422 0.517 20 0 CCADHP [NH3+]C1CCN(CCN[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925816329 648464689 /nfs/dbraw/zinc/46/46/89/648464689.db2.gz DXSQIODNSDMNHL-KGLIPLIRSA-N 2 3 254.422 0.659 20 0 CCADHP N[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C12CCC2 ZINC000925840017 648465679 /nfs/dbraw/zinc/46/56/79/648465679.db2.gz FQTMTOMVIUZXGH-HUUCEWRRSA-N 2 3 280.460 0.921 20 0 CCADHP CCOC(=O)[C@@]12CN(CCC[NH2+]C)C[C@@H]1CC[NH2+]CC2 ZINC001235351398 806412364 /nfs/dbraw/zinc/41/23/64/806412364.db2.gz ZATDWXDFVDQIRR-ZFWWWQNUSA-N 2 3 283.416 0.461 20 0 CCADHP CC1(C)NC[C@@H](C[N@@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)O1 ZINC001236077894 806543435 /nfs/dbraw/zinc/54/34/35/806543435.db2.gz DMBPMTSPQLMERZ-KBPBESRZSA-N 2 3 282.432 0.066 20 0 CCADHP CC1(C)NC[C@@H](C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)O1 ZINC001236077894 806543439 /nfs/dbraw/zinc/54/34/39/806543439.db2.gz DMBPMTSPQLMERZ-KBPBESRZSA-N 2 3 282.432 0.066 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001246126986 807161421 /nfs/dbraw/zinc/16/14/21/807161421.db2.gz MRKDVFUOQFONAS-RDBSUJKOSA-N 2 3 266.433 0.591 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246146644 807167122 /nfs/dbraw/zinc/16/71/22/807167122.db2.gz HHVSTBZSVXRDHS-RKQHYHRCSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CCN1 ZINC001246146644 807167124 /nfs/dbraw/zinc/16/71/24/807167124.db2.gz HHVSTBZSVXRDHS-RKQHYHRCSA-N 2 3 253.390 0.341 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162074 801580588 /nfs/dbraw/zinc/58/05/88/801580588.db2.gz UTRPTIFZVOEEBC-JSGCOSHPSA-N 2 3 268.405 0.187 20 0 CCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161048971 802075863 /nfs/dbraw/zinc/07/58/63/802075863.db2.gz BXRSCZYEXJQSJD-STQMWFEESA-N 2 3 270.421 0.384 20 0 CCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161048971 802075867 /nfs/dbraw/zinc/07/58/67/802075867.db2.gz BXRSCZYEXJQSJD-STQMWFEESA-N 2 3 270.421 0.384 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205880 802109195 /nfs/dbraw/zinc/10/91/95/802109195.db2.gz TVHHYBJQPFGMPE-HNNXBMFYSA-N 2 3 296.459 0.681 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161411838 802147969 /nfs/dbraw/zinc/14/79/69/802147969.db2.gz BJWPVPVPSZHMQA-FQUUOJAGSA-N 2 3 282.432 0.241 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161411837 802148245 /nfs/dbraw/zinc/14/82/45/802148245.db2.gz BJWPVPVPSZHMQA-DGAVXFQQSA-N 2 3 282.432 0.241 20 0 CCADHP C[C@@H]1C[N@H+](CC[C@H]2CNCCO2)CCC[C@H]1C[NH3+] ZINC001205982146 803194882 /nfs/dbraw/zinc/19/48/82/803194882.db2.gz KZOUZUBIKBTZBJ-RDBSUJKOSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1C[N@@H+](CC[C@H]2CNCCO2)CCC[C@H]1C[NH3+] ZINC001205982146 803194884 /nfs/dbraw/zinc/19/48/84/803194884.db2.gz KZOUZUBIKBTZBJ-RDBSUJKOSA-N 2 3 255.406 0.672 20 0 CCADHP CN(C)CC[NH+](CCN(C)C)CC1CC[NH2+]CC1 ZINC001207437571 803398863 /nfs/dbraw/zinc/39/88/63/803398863.db2.gz KOPRZFZKRVPPQI-UHFFFAOYSA-N 2 3 256.438 0.411 20 0 CCADHP C[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)[C@H]1CC[NH3+] ZINC000404302922 803849828 /nfs/dbraw/zinc/84/98/28/803849828.db2.gz QKDVFGNWKSTEAR-KFWWJZLASA-N 2 3 269.433 0.892 20 0 CCADHP C[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2)[C@H]1CC[NH3+] ZINC000404302922 803849837 /nfs/dbraw/zinc/84/98/37/803849837.db2.gz QKDVFGNWKSTEAR-KFWWJZLASA-N 2 3 269.433 0.892 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219534456 804338269 /nfs/dbraw/zinc/33/82/69/804338269.db2.gz YJHNFNCNPIPZRF-NRUUGDAUSA-N 2 3 290.367 0.139 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703106 804409053 /nfs/dbraw/zinc/40/90/53/804409053.db2.gz BAMZVLUFZYVYMZ-CQSZACIVSA-N 2 3 276.384 0.015 20 0 CCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001219980082 804462845 /nfs/dbraw/zinc/46/28/45/804462845.db2.gz BHIAEORRDGZXGH-GXTWGEPZSA-N 2 3 282.432 0.161 20 0 CCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001219980082 804462848 /nfs/dbraw/zinc/46/28/48/804462848.db2.gz BHIAEORRDGZXGH-GXTWGEPZSA-N 2 3 282.432 0.161 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220044860 804482098 /nfs/dbraw/zinc/48/20/98/804482098.db2.gz CBCZRVUSLYCFDF-ZDUSSCGKSA-N 2 3 293.415 0.562 20 0 CCADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220252113 804549860 /nfs/dbraw/zinc/54/98/60/804549860.db2.gz OFSWWXYNKDLMCE-RYUDHWBXSA-N 2 3 256.394 0.043 20 0 CCADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220252113 804549864 /nfs/dbraw/zinc/54/98/64/804549864.db2.gz OFSWWXYNKDLMCE-RYUDHWBXSA-N 2 3 256.394 0.043 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC001220254760 804552522 /nfs/dbraw/zinc/55/25/22/804552522.db2.gz WJGYQCYYQOENQB-ZDUSSCGKSA-N 2 3 286.464 0.750 20 0 CCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220253727 804552630 /nfs/dbraw/zinc/55/26/30/804552630.db2.gz AOCRSFVSZSOUMX-CYBMUJFWSA-N 2 3 296.459 0.565 20 0 CCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220253727 804552634 /nfs/dbraw/zinc/55/26/34/804552634.db2.gz AOCRSFVSZSOUMX-CYBMUJFWSA-N 2 3 296.459 0.565 20 0 CCADHP [NH3+][C@@]12CC[C@@](NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)(C1)CCC2 ZINC001220777604 804665983 /nfs/dbraw/zinc/66/59/83/804665983.db2.gz WUMYMKZTWZWHMV-SLBVQIDZSA-N 2 3 292.427 0.106 20 0 CCADHP N[C@@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C1CC[NH2+]CC1 ZINC001221248521 804757922 /nfs/dbraw/zinc/75/79/22/804757922.db2.gz ZNHJBABRGNBROX-GDBMZVCRSA-N 2 3 294.443 0.352 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405875 804806383 /nfs/dbraw/zinc/80/63/83/804806383.db2.gz CEYLZSUIPQGDBM-AGIUHOORSA-N 2 3 270.421 0.288 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCC[NH3+])[C@H](C)C1 ZINC001221405875 804806389 /nfs/dbraw/zinc/80/63/89/804806389.db2.gz CEYLZSUIPQGDBM-AGIUHOORSA-N 2 3 270.421 0.288 20 0 CCADHP CCOC(=O)[C@@]12C[N@H+](CCCCC[NH3+])C[C@@H]1CNCCC2 ZINC001222125428 804873498 /nfs/dbraw/zinc/87/34/98/804873498.db2.gz LPNCNYHPZIOWTB-HOCLYGCPSA-N 2 3 297.443 0.980 20 0 CCADHP CCOC(=O)[C@@]12C[N@@H+](CCCCC[NH3+])C[C@@H]1CNCCC2 ZINC001222125428 804873503 /nfs/dbraw/zinc/87/35/03/804873503.db2.gz LPNCNYHPZIOWTB-HOCLYGCPSA-N 2 3 297.443 0.980 20 0 CCADHP C(C1CC2(C1)CC[NH2+]CC2)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491466 804904152 /nfs/dbraw/zinc/90/41/52/804904152.db2.gz CPFADDGIRBVFLM-HOTGVXAUSA-N 2 3 292.471 0.792 20 0 CCADHP [NH3+]C12CC(CN3CC[NH2+]C[C@]4(CCCCN4)C3)(C1)C2 ZINC001222666203 804923670 /nfs/dbraw/zinc/92/36/70/804923670.db2.gz ABUKYTQTIDWLKT-YMAMQOFZSA-N 2 3 264.417 0.285 20 0 CCADHP CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246011605 807114127 /nfs/dbraw/zinc/11/41/27/807114127.db2.gz IUESKNJYGWDWQZ-SRVKXCTJSA-N 2 3 261.385 0.273 20 0 CCADHP O[C@@]1(C[NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246078443 807143667 /nfs/dbraw/zinc/14/36/67/807143667.db2.gz ASIYGRNIQDUDRF-ZQDZILKHSA-N 2 3 285.407 0.561 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124417 807159658 /nfs/dbraw/zinc/15/96/58/807159658.db2.gz FHNYKHVKDGGKSV-QWHCGFSZSA-N 2 3 253.390 0.487 20 0 CCADHP C[C@@H]1C[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246252156 807198915 /nfs/dbraw/zinc/19/89/15/807198915.db2.gz ZWALKPBXHNMTBO-MGPQQGTHSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC001246252156 807198919 /nfs/dbraw/zinc/19/89/19/807198919.db2.gz ZWALKPBXHNMTBO-MGPQQGTHSA-N 2 3 267.417 0.875 20 0 CCADHP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246581169 807302025 /nfs/dbraw/zinc/30/20/25/807302025.db2.gz QQVZJXSJWXVBMN-VXGQWTEUSA-N 2 3 269.433 0.891 20 0 CCADHP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246581169 807302017 /nfs/dbraw/zinc/30/20/17/807302017.db2.gz QQVZJXSJWXVBMN-VXGQWTEUSA-N 2 3 269.433 0.891 20 0 CCADHP NC[C@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1O ZINC001246581133 807304104 /nfs/dbraw/zinc/30/41/04/807304104.db2.gz PTCFJKXDXOJKNW-JSGCOSHPSA-N 2 3 267.417 0.550 20 0 CCADHP NC[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1O ZINC001246581133 807304113 /nfs/dbraw/zinc/30/41/13/807304113.db2.gz PTCFJKXDXOJKNW-JSGCOSHPSA-N 2 3 267.417 0.550 20 0 CCADHP C([C@@H]1CCCNC1)[N@H+](C1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970978 807443622 /nfs/dbraw/zinc/44/36/22/807443622.db2.gz FFYNUGKIWHKEID-UKRRQHHQSA-N 2 3 278.444 0.544 20 0 CCADHP C([C@@H]1CCCNC1)[N@@H+](C1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970978 807443625 /nfs/dbraw/zinc/44/36/25/807443625.db2.gz FFYNUGKIWHKEID-UKRRQHHQSA-N 2 3 278.444 0.544 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191252 837967316 /nfs/dbraw/zinc/96/73/16/837967316.db2.gz NVLHRHZBRYJVAC-OWYJLGKBSA-N 2 3 282.432 0.432 20 0 CCADHP C[C@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246598527 840158075 /nfs/dbraw/zinc/15/80/75/840158075.db2.gz BPVYGRLSYRJICR-STQMWFEESA-N 2 3 252.406 0.154 20 0 CCADHP C[C@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246598527 840158080 /nfs/dbraw/zinc/15/80/80/840158080.db2.gz BPVYGRLSYRJICR-STQMWFEESA-N 2 3 252.406 0.154 20 0 CCADHP C[C@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246598527 840158086 /nfs/dbraw/zinc/15/80/86/840158086.db2.gz BPVYGRLSYRJICR-STQMWFEESA-N 2 3 252.406 0.154 20 0 CCADHP CC(C)(N)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247671 358385945 /nfs/dbraw/zinc/38/59/45/358385945.db2.gz BRLQATOPICRMCO-CYBMUJFWSA-N 2 3 255.406 0.814 20 0 CCADHP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569578256 358774640 /nfs/dbraw/zinc/77/46/40/358774640.db2.gz LLEXBDCSPYYLFC-UONOGXRCSA-N 2 3 299.463 0.119 20 0 CCADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135611 291197496 /nfs/dbraw/zinc/19/74/96/291197496.db2.gz OCKZJDZXGYQGRV-RBSFLKMASA-N 2 3 266.433 0.354 20 0 CCADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135611 291197498 /nfs/dbraw/zinc/19/74/98/291197498.db2.gz OCKZJDZXGYQGRV-RBSFLKMASA-N 2 3 266.433 0.354 20 0 CCADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135609 291197608 /nfs/dbraw/zinc/19/76/08/291197608.db2.gz OCKZJDZXGYQGRV-KFWWJZLASA-N 2 3 266.433 0.354 20 0 CCADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135609 291197609 /nfs/dbraw/zinc/19/76/09/291197609.db2.gz OCKZJDZXGYQGRV-KFWWJZLASA-N 2 3 266.433 0.354 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566230640 291379779 /nfs/dbraw/zinc/37/97/79/291379779.db2.gz ZSESJAHDIFCZBA-KGLIPLIRSA-N 2 3 294.443 0.306 20 0 CCADHP NCC1(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566230640 291379780 /nfs/dbraw/zinc/37/97/80/291379780.db2.gz ZSESJAHDIFCZBA-KGLIPLIRSA-N 2 3 294.443 0.306 20 0 CCADHP [NH3+][C@@H]1CCC[C@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635011152 372341466 /nfs/dbraw/zinc/34/14/66/372341466.db2.gz MPOILPNEMJXJJI-CHWSQXEVSA-N 2 3 261.373 0.783 20 0 CCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641413707 377089498 /nfs/dbraw/zinc/08/94/98/377089498.db2.gz NCACAVCFNDOXQB-ZIAGYGMSSA-N 2 3 299.463 0.391 20 0 CCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641413707 377089501 /nfs/dbraw/zinc/08/95/01/377089501.db2.gz NCACAVCFNDOXQB-ZIAGYGMSSA-N 2 3 299.463 0.391 20 0 CCADHP C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000422820499 389481678 /nfs/dbraw/zinc/48/16/78/389481678.db2.gz QYMYGEWYSCGHBC-HOCLYGCPSA-N 2 3 282.476 0.990 20 0 CCADHP C(CN1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572243818 390774204 /nfs/dbraw/zinc/77/42/04/390774204.db2.gz SAPHTFXKCIGWIJ-GJZGRUSLSA-N 2 3 266.433 0.356 20 0 CCADHP C[C@@H]1CNC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548159 390839875 /nfs/dbraw/zinc/83/98/75/390839875.db2.gz WYSHJVBQZNJJDT-UIDBIOKJSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@@H]1CNC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548159 390839876 /nfs/dbraw/zinc/83/98/76/390839876.db2.gz WYSHJVBQZNJJDT-UIDBIOKJSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@@H](NC1CC[NH+](CCN(C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422967624 287013889 /nfs/dbraw/zinc/01/38/89/287013889.db2.gz UJHJEMJNFJFLCP-UKRRQHHQSA-N 2 3 268.449 0.743 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662273521 414703798 /nfs/dbraw/zinc/70/37/98/414703798.db2.gz OAOLOUKDTPCRMX-ZDUSSCGKSA-N 2 3 265.401 0.583 20 0 CCADHP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662272872 414703906 /nfs/dbraw/zinc/70/39/06/414703906.db2.gz RJMMQWAOUGENJB-CHWSQXEVSA-N 2 3 253.390 0.568 20 0 CCADHP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662272872 414703907 /nfs/dbraw/zinc/70/39/07/414703907.db2.gz RJMMQWAOUGENJB-CHWSQXEVSA-N 2 3 253.390 0.568 20 0 CCADHP O=C1CC[C@@H](NC[C@H]2CCC[NH2+]C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000516970476 304632061 /nfs/dbraw/zinc/63/20/61/304632061.db2.gz PLGYZNMBJIGJTR-BJJXKVORSA-N 2 3 294.443 0.222 20 0 CCADHP [NH3+]CCOCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000357090702 303383728 /nfs/dbraw/zinc/38/37/28/303383728.db2.gz RTILTYPCDKXUJF-CABCVRRESA-N 2 3 263.385 0.636 20 0 CCADHP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000575867958 335126308 /nfs/dbraw/zinc/12/63/08/335126308.db2.gz IWWKEBOZPZWSPZ-CHWSQXEVSA-N 2 3 282.432 0.243 20 0 CCADHP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505654 613227532 /nfs/dbraw/zinc/22/75/32/613227532.db2.gz GQBHZPLNNFVNOH-OIISXLGYSA-N 2 3 292.471 0.887 20 0 CCADHP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505654 613227534 /nfs/dbraw/zinc/22/75/34/613227534.db2.gz GQBHZPLNNFVNOH-OIISXLGYSA-N 2 3 292.471 0.887 20 0 CCADHP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505654 613227536 /nfs/dbraw/zinc/22/75/36/613227536.db2.gz GQBHZPLNNFVNOH-OIISXLGYSA-N 2 3 292.471 0.887 20 0 CCADHP F[C@@H]1C[NH2+][C@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)C1 ZINC000903506407 634584645 /nfs/dbraw/zinc/58/46/45/634584645.db2.gz SLEVZTIBXGKIHS-DARAHFNDSA-N 2 3 296.434 0.587 20 0 CCADHP F[C@@H]1C[NH2+][C@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)C1 ZINC000903506407 634584656 /nfs/dbraw/zinc/58/46/56/634584656.db2.gz SLEVZTIBXGKIHS-DARAHFNDSA-N 2 3 296.434 0.587 20 0 CCADHP F[C@@H]1C[NH2+][C@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC000903506407 634584664 /nfs/dbraw/zinc/58/46/64/634584664.db2.gz SLEVZTIBXGKIHS-DARAHFNDSA-N 2 3 296.434 0.587 20 0 CCADHP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903762851 634641254 /nfs/dbraw/zinc/64/12/54/634641254.db2.gz FKSRLJDGGPRSHB-JJXSEGSLSA-N 2 3 279.428 0.816 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920314 634686965 /nfs/dbraw/zinc/68/69/65/634686965.db2.gz SQNMGZSZXDPDMR-DZGCQCFKSA-N 2 3 291.443 0.578 20 0 CCADHP Cc1c(C[C@@H](C[NH3+])CN[C@@H]2CC23CC[NH2+]CC3)cnn1C ZINC000903920314 634686969 /nfs/dbraw/zinc/68/69/69/634686969.db2.gz SQNMGZSZXDPDMR-DZGCQCFKSA-N 2 3 291.443 0.578 20 0 CCADHP CCN(CC)CCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904367481 634736276 /nfs/dbraw/zinc/73/62/76/634736276.db2.gz CLLCQAVEQNAMGA-UHFFFAOYSA-N 2 3 256.438 0.731 20 0 CCADHP C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851368 631399834 /nfs/dbraw/zinc/39/98/34/631399834.db2.gz YETRAWSTZDBIIX-AVGNSLFASA-N 2 3 281.400 0.402 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000925790521 648462194 /nfs/dbraw/zinc/46/21/94/648462194.db2.gz INEJPJLNZGTROE-KHMAMNHCSA-N 2 3 267.417 0.589 20 0 CCADHP [NH3+]C1CN([C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001236080818 806543403 /nfs/dbraw/zinc/54/34/03/806543403.db2.gz XHXDJAWKHWLVPW-QGZVFWFLSA-N 2 3 286.423 0.897 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158425613 801645154 /nfs/dbraw/zinc/64/51/54/801645154.db2.gz XOJPIFNUVYFYQO-XQQFMLRXSA-N 2 3 268.405 0.008 20 0 CCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160696359 802004717 /nfs/dbraw/zinc/00/47/17/802004717.db2.gz VIMQRYXIQDCKRM-KBPBESRZSA-N 2 3 284.448 0.504 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448243 802155778 /nfs/dbraw/zinc/15/57/78/802155778.db2.gz ACBCRGZLYQIXQN-KBPBESRZSA-N 2 3 296.459 0.374 20 0 CCADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161489365 802162099 /nfs/dbraw/zinc/16/20/99/802162099.db2.gz LUJBPBJQVOFTAD-UKRRQHHQSA-N 2 3 294.443 0.448 20 0 CCADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161489365 802162101 /nfs/dbraw/zinc/16/21/01/802162101.db2.gz LUJBPBJQVOFTAD-UKRRQHHQSA-N 2 3 294.443 0.448 20 0 CCADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C2 ZINC001220716674 811742393 /nfs/dbraw/zinc/74/23/93/811742393.db2.gz NUBSDWPSCCHWQN-RVMXOQNASA-N 2 3 268.405 0.184 20 0 CCADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C2 ZINC001220716674 811742398 /nfs/dbraw/zinc/74/23/98/811742398.db2.gz NUBSDWPSCCHWQN-RVMXOQNASA-N 2 3 268.405 0.184 20 0 CCADHP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219025394 804183931 /nfs/dbraw/zinc/18/39/31/804183931.db2.gz IDJKFZTZXBQKOA-LBPRGKRZSA-N 2 3 278.356 0.173 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219534454 804337994 /nfs/dbraw/zinc/33/79/94/804337994.db2.gz YJHNFNCNPIPZRF-GBIKHYSHSA-N 2 3 290.367 0.139 20 0 CCADHP C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001219943682 804453142 /nfs/dbraw/zinc/45/31/42/804453142.db2.gz UUPLNAZFQKXFFG-AWEZNQCLSA-N 2 3 278.400 0.431 20 0 CCADHP CCC[NH+]1CCC(NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001219954736 804457572 /nfs/dbraw/zinc/45/75/72/804457572.db2.gz PGRUDKXBNFNIEX-ZDUSSCGKSA-N 2 3 270.421 0.433 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159686 804520901 /nfs/dbraw/zinc/52/09/01/804520901.db2.gz QVCPNUBIWQRYTB-OBJOEFQTSA-N 2 3 268.405 0.091 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159687 804522264 /nfs/dbraw/zinc/52/22/64/804522264.db2.gz QVCPNUBIWQRYTB-SGMGOOAPSA-N 2 3 268.405 0.091 20 0 CCADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252232 804549777 /nfs/dbraw/zinc/54/97/77/804549777.db2.gz RXXLDPWVIYIMKG-UONOGXRCSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252232 804549781 /nfs/dbraw/zinc/54/97/81/804549781.db2.gz RXXLDPWVIYIMKG-UONOGXRCSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252232 804549784 /nfs/dbraw/zinc/54/97/84/804549784.db2.gz RXXLDPWVIYIMKG-UONOGXRCSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252232 804549786 /nfs/dbraw/zinc/54/97/86/804549786.db2.gz RXXLDPWVIYIMKG-UONOGXRCSA-N 2 3 294.443 0.461 20 0 CCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220254755 804552307 /nfs/dbraw/zinc/55/23/07/804552307.db2.gz WHSHTNAOLCCLFY-NSHDSACASA-N 2 3 258.410 0.147 20 0 CCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220331955 804576059 /nfs/dbraw/zinc/57/60/59/804576059.db2.gz GSZMPRLTPBYGPL-KBPBESRZSA-N 2 3 284.448 0.679 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680608 804648191 /nfs/dbraw/zinc/64/81/91/804648191.db2.gz KIYZENVRNVLVGY-LOWDOPEQSA-N 2 3 268.405 0.232 20 0 CCADHP CN1CCC[C@](C)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221243140 804755207 /nfs/dbraw/zinc/75/52/07/804755207.db2.gz FMZCLWOEVMTMBK-JSGCOSHPSA-N 2 3 270.421 0.433 20 0 CCADHP C[NH+](C)CC1CCC(NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001221401741 804804863 /nfs/dbraw/zinc/80/48/63/804804863.db2.gz MZZHFNXMGIEPTN-WXRRBKDZSA-N 2 3 270.421 0.289 20 0 CCADHP C(CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001222491436 804904179 /nfs/dbraw/zinc/90/41/79/804904179.db2.gz BAIUMNOPPAOXIW-ILXRZTDVSA-N 2 3 266.433 0.402 20 0 CCADHP O[C@@]1(C[NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNC[C@@H]1F ZINC001246082952 807147039 /nfs/dbraw/zinc/14/70/39/807147039.db2.gz NDRLSUSNEMCYHQ-OOJKYFRXSA-N 2 3 285.407 0.561 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246128419 807161219 /nfs/dbraw/zinc/16/12/19/807161219.db2.gz TWEARAXDKSJWSM-HZSPNIEDSA-N 2 3 267.417 0.875 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246135104 807162300 /nfs/dbraw/zinc/16/23/00/807162300.db2.gz PQLZMPDNPMIBFB-ZDUSSCGKSA-N 2 3 253.390 0.629 20 0 CCADHP C([NH2+]C1CCNCC1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246135104 807162302 /nfs/dbraw/zinc/16/23/02/807162302.db2.gz PQLZMPDNPMIBFB-ZDUSSCGKSA-N 2 3 253.390 0.629 20 0 CCADHP C1CNC[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001246143181 807165391 /nfs/dbraw/zinc/16/53/91/807165391.db2.gz UONWXTCIYQARDB-AWEZNQCLSA-N 2 3 266.433 0.544 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246156419 807171152 /nfs/dbraw/zinc/17/11/52/807171152.db2.gz LJGUAFGUOQXDFH-ZRGDOOIKSA-N 2 3 265.401 0.484 20 0 CCADHP C[C@@H]1C[C@@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246181721 807178852 /nfs/dbraw/zinc/17/88/52/807178852.db2.gz ROWPJPHLEZUXEA-AGIUHOORSA-N 2 3 253.390 0.628 20 0 CCADHP C(C1CC1)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246382364 807238564 /nfs/dbraw/zinc/23/85/64/807238564.db2.gz WONXGPAMLNZKOP-AWEZNQCLSA-N 2 3 278.444 0.592 20 0 CCADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563761 807293031 /nfs/dbraw/zinc/29/30/31/807293031.db2.gz LRRFKCSBPZAUMH-JHJVBQTASA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246563761 807293037 /nfs/dbraw/zinc/29/30/37/807293037.db2.gz LRRFKCSBPZAUMH-JHJVBQTASA-N 2 3 252.406 0.140 20 0 CCADHP C[C@H]1CC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246602414 807317243 /nfs/dbraw/zinc/31/72/43/807317243.db2.gz KSOANUAWRNEBTH-STQMWFEESA-N 2 3 266.433 0.543 20 0 CCADHP C[C@H]1CC([N@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246602414 807317252 /nfs/dbraw/zinc/31/72/52/807317252.db2.gz KSOANUAWRNEBTH-STQMWFEESA-N 2 3 266.433 0.543 20 0 CCADHP C[C@H]1CC(N2CCNC3(CC[NH2+]CC3)C2)C[C@H](C)[NH2+]1 ZINC001246602414 807317260 /nfs/dbraw/zinc/31/72/60/807317260.db2.gz KSOANUAWRNEBTH-STQMWFEESA-N 2 3 266.433 0.543 20 0 CCADHP CC[NH+](CC)C[C@@H](O)CN(C)CC1CC[NH+](C)CC1 ZINC000389150855 809673284 /nfs/dbraw/zinc/67/32/84/809673284.db2.gz VTCKZTRBVDIBHL-HNNXBMFYSA-N 2 3 271.449 0.963 20 0 CCADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001169123810 836140196 /nfs/dbraw/zinc/14/01/96/836140196.db2.gz MZTCRDKODBJMFB-MUJYYYPQSA-N 2 3 280.460 0.968 20 0 CCADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001169123810 836140197 /nfs/dbraw/zinc/14/01/97/836140197.db2.gz MZTCRDKODBJMFB-MUJYYYPQSA-N 2 3 280.460 0.968 20 0 CCADHP F[C@@]1(CN[C@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111510 839622679 /nfs/dbraw/zinc/62/26/79/839622679.db2.gz JCSRKVIHQHVPLH-STQMWFEESA-N 2 3 270.396 0.152 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)CCN1 ZINC001246154300 839651156 /nfs/dbraw/zinc/65/11/56/839651156.db2.gz ZYSJNIRWNLPFKO-XHJNMGKDSA-N 2 3 253.390 0.484 20 0 CCADHP C1[C@H]([NH2+]C2CCC3(CC2)C[NH2+]CCO3)C12CNC2 ZINC001246442271 839838224 /nfs/dbraw/zinc/83/82/24/839838224.db2.gz COMDHLPAFTVWNI-LXVYMNJGSA-N 2 3 251.374 0.239 20 0 CCADHP NC[C@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1O ZINC001246586044 840124765 /nfs/dbraw/zinc/12/47/65/840124765.db2.gz PTCFJKXDXOJKNW-GXTWGEPZSA-N 2 3 267.417 0.550 20 0 CCADHP NC[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1O ZINC001246586044 840124770 /nfs/dbraw/zinc/12/47/70/840124770.db2.gz PTCFJKXDXOJKNW-GXTWGEPZSA-N 2 3 267.417 0.550 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC001206296315 842516951 /nfs/dbraw/zinc/51/69/51/842516951.db2.gz QVBLSOJBJFYPRU-ZIAGYGMSSA-N 2 3 255.406 0.816 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC001206296315 842516955 /nfs/dbraw/zinc/51/69/55/842516955.db2.gz QVBLSOJBJFYPRU-ZIAGYGMSSA-N 2 3 255.406 0.816 20 0 CCADHP O=C1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000516970477 358341583 /nfs/dbraw/zinc/34/15/83/358341583.db2.gz PLGYZNMBJIGJTR-XPKDYRNWSA-N 2 3 294.443 0.222 20 0 CCADHP CC(C)[N@H+](C)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000584843668 359217555 /nfs/dbraw/zinc/21/75/55/359217555.db2.gz RZIMSKOTKRWFRN-UHFFFAOYSA-N 2 3 282.476 0.944 20 0 CCADHP CC(C)[N@@H+](C)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000584843668 359217562 /nfs/dbraw/zinc/21/75/62/359217562.db2.gz RZIMSKOTKRWFRN-UHFFFAOYSA-N 2 3 282.476 0.944 20 0 CCADHP CN1CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000629540604 369697582 /nfs/dbraw/zinc/69/75/82/369697582.db2.gz VFTKTAVFRMUBCF-MELADBBJSA-N 2 3 255.406 0.814 20 0 CCADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000634990992 372326055 /nfs/dbraw/zinc/32/60/55/372326055.db2.gz KUOWTHRUQGRCGT-QWHCGFSZSA-N 2 3 270.421 0.004 20 0 CCADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000634990992 372326058 /nfs/dbraw/zinc/32/60/58/372326058.db2.gz KUOWTHRUQGRCGT-QWHCGFSZSA-N 2 3 270.421 0.004 20 0 CCADHP C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1C[NH2+]C1 ZINC000635010542 372342492 /nfs/dbraw/zinc/34/24/92/372342492.db2.gz KECSDPJEAVYKRH-LLVKDONJSA-N 2 3 261.373 0.511 20 0 CCADHP CCOC(=O)C1([C@H](C)NC[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000423283713 389560031 /nfs/dbraw/zinc/56/00/31/389560031.db2.gz XKSBSPJQKKSZJH-QWHCGFSZSA-N 2 3 285.432 0.881 20 0 CCADHP CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414658686 389625072 /nfs/dbraw/zinc/62/50/72/389625072.db2.gz QZNVGTHQGIICJU-QWHCGFSZSA-N 2 3 270.421 0.147 20 0 CCADHP CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414658686 389625075 /nfs/dbraw/zinc/62/50/75/389625075.db2.gz QZNVGTHQGIICJU-QWHCGFSZSA-N 2 3 270.421 0.147 20 0 CCADHP CCN1CCN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788405 390171618 /nfs/dbraw/zinc/17/16/18/390171618.db2.gz JFIOZFCLODROMB-GVDBMIGSSA-N 2 3 294.487 0.992 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650708742 397747029 /nfs/dbraw/zinc/74/70/29/397747029.db2.gz KQYJCKVAHGEONH-IHRRRGAJSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650708742 397747033 /nfs/dbraw/zinc/74/70/33/397747033.db2.gz KQYJCKVAHGEONH-IHRRRGAJSA-N 2 3 267.417 0.944 20 0 CCADHP COCC1(C[NH2+]CCNC(C)(C)C)CC[NH2+]CC1 ZINC000414972920 292245678 /nfs/dbraw/zinc/24/56/78/292245678.db2.gz KJCIPXAJQRJYLA-UHFFFAOYSA-N 2 3 257.422 0.980 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652340937 412031620 /nfs/dbraw/zinc/03/16/20/412031620.db2.gz OADLMTVUKZDINP-KFWWJZLASA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652340937 412031623 /nfs/dbraw/zinc/03/16/23/412031623.db2.gz OADLMTVUKZDINP-KFWWJZLASA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652340937 412031624 /nfs/dbraw/zinc/03/16/24/412031624.db2.gz OADLMTVUKZDINP-KFWWJZLASA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]CCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349208 412033849 /nfs/dbraw/zinc/03/38/49/412033849.db2.gz FRJHKRKGONNLOJ-MELADBBJSA-N 2 3 255.406 0.814 20 0 CCADHP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276430 414704719 /nfs/dbraw/zinc/70/47/19/414704719.db2.gz MOOIGFCMGVCHAT-ILXRZTDVSA-N 2 3 279.428 0.971 20 0 CCADHP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276436 414704780 /nfs/dbraw/zinc/70/47/80/414704780.db2.gz MOOIGFCMGVCHAT-SOUVJXGZSA-N 2 3 279.428 0.971 20 0 CCADHP C[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC000662283208 414705596 /nfs/dbraw/zinc/70/55/96/414705596.db2.gz SDCGYZOLQPOFNJ-AGIUHOORSA-N 2 3 253.390 0.424 20 0 CCADHP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284270 414706447 /nfs/dbraw/zinc/70/64/47/414706447.db2.gz UVSGEAUIBJXMOV-KBPBESRZSA-N 2 3 279.428 0.971 20 0 CCADHP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284270 414706448 /nfs/dbraw/zinc/70/64/48/414706448.db2.gz UVSGEAUIBJXMOV-KBPBESRZSA-N 2 3 279.428 0.971 20 0 CCADHP CC[N@@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000925808718 615304502 /nfs/dbraw/zinc/30/45/02/615304502.db2.gz DMEVGUZMRGYAPW-ZFWWWQNUSA-N 2 3 268.449 0.729 20 0 CCADHP CC[N@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000925808718 615304503 /nfs/dbraw/zinc/30/45/03/615304503.db2.gz DMEVGUZMRGYAPW-ZFWWWQNUSA-N 2 3 268.449 0.729 20 0 CCADHP [NH3+]C[C@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903717085 634629867 /nfs/dbraw/zinc/62/98/67/634629867.db2.gz ZLOLQAJGXBYWDN-CHWSQXEVSA-N 2 3 253.390 0.426 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903744585 634640526 /nfs/dbraw/zinc/64/05/26/634640526.db2.gz VJLWBXIHNANRBS-DGAVXFQQSA-N 2 3 253.390 0.424 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805672 634656813 /nfs/dbraw/zinc/65/68/13/634656813.db2.gz RGTHRYVCRSGIAA-ZJIFWQFVSA-N 2 3 279.428 0.958 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805672 634656819 /nfs/dbraw/zinc/65/68/19/634656819.db2.gz RGTHRYVCRSGIAA-ZJIFWQFVSA-N 2 3 279.428 0.958 20 0 CCADHP NCC1([C@@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)CCC1 ZINC000903812674 634657364 /nfs/dbraw/zinc/65/73/64/634657364.db2.gz VWQXOCHKTXJLKC-HNNXBMFYSA-N 2 3 280.460 0.875 20 0 CCADHP NCC1([C@@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)CCC1 ZINC000903812674 634657368 /nfs/dbraw/zinc/65/73/68/634657368.db2.gz VWQXOCHKTXJLKC-HNNXBMFYSA-N 2 3 280.460 0.875 20 0 CCADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000903918716 634685569 /nfs/dbraw/zinc/68/55/69/634685569.db2.gz GACRYMULIGHJAV-OCCSQVGLSA-N 2 3 290.415 0.434 20 0 CCADHP OCCNC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903935110 634693821 /nfs/dbraw/zinc/69/38/21/634693821.db2.gz NECIMIICRSZLEY-LQDVMPOASA-N 2 3 267.417 0.563 20 0 CCADHP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C[NH3+] ZINC000904409615 634744094 /nfs/dbraw/zinc/74/40/94/634744094.db2.gz DOEVJSYOQYMEOJ-HZSPNIEDSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C[NH3+] ZINC000904409615 634744105 /nfs/dbraw/zinc/74/41/05/634744105.db2.gz DOEVJSYOQYMEOJ-HZSPNIEDSA-N 2 3 282.432 0.100 20 0 CCADHP COC(=O)C1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246097428 807152633 /nfs/dbraw/zinc/15/26/33/807152633.db2.gz PAIILHOXRBDIFV-RYUDHWBXSA-N 2 3 269.389 0.259 20 0 CCADHP COC(=O)C1(CN[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246097428 807152637 /nfs/dbraw/zinc/15/26/37/807152637.db2.gz PAIILHOXRBDIFV-RYUDHWBXSA-N 2 3 269.389 0.259 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246123401 807159968 /nfs/dbraw/zinc/15/99/68/807159968.db2.gz DKZCIGXFRWKRSY-HZSPNIEDSA-N 2 3 266.433 0.591 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[C@H]1CCC[NH2+]C1 ZINC001161446765 802155672 /nfs/dbraw/zinc/15/56/72/802155672.db2.gz UTWCVJRDMREDJS-IHRRRGAJSA-N 2 3 296.459 0.502 20 0 CCADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161489059 802162361 /nfs/dbraw/zinc/16/23/61/802162361.db2.gz JAOFQSFDYKEOSF-AAEUAGOBSA-N 2 3 256.394 0.030 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534370 803991136 /nfs/dbraw/zinc/99/11/36/803991136.db2.gz WUPKEDQCZQJTEL-BDAKNGLRSA-N 2 3 297.428 0.354 20 0 CCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220331673 804575075 /nfs/dbraw/zinc/57/50/75/804575075.db2.gz BDWOZBUZRVJNGD-DZGCQCFKSA-N 2 3 296.459 0.550 20 0 CCADHP CCc1ccc(CN(CC[NH3+])C(=O)[C@H](N)CCC[NH3+])cc1 ZINC001220903338 804697309 /nfs/dbraw/zinc/69/73/09/804697309.db2.gz QIAANILOCAYUEP-OAHLLOKOSA-N 2 3 292.427 0.603 20 0 CCADHP [NH3+]CCCCNC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001221345494 804783866 /nfs/dbraw/zinc/78/38/66/804783866.db2.gz ZUKKEZKYMJJKCX-CYBMUJFWSA-N 2 3 282.432 0.306 20 0 CCADHP [NH3+]CCCCNC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001221345494 804783868 /nfs/dbraw/zinc/78/38/68/804783868.db2.gz ZUKKEZKYMJJKCX-CYBMUJFWSA-N 2 3 282.432 0.306 20 0 CCADHP [NH3+]CCCCNC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221345494 804783873 /nfs/dbraw/zinc/78/38/73/804783873.db2.gz ZUKKEZKYMJJKCX-CYBMUJFWSA-N 2 3 282.432 0.306 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408897 804810420 /nfs/dbraw/zinc/81/04/20/804810420.db2.gz LDTWXRSENAMYLW-GJZGRUSLSA-N 2 3 296.459 0.550 20 0 CCADHP [NH3+]C[C@@]1(F)CCCCN(CC2(O)CC[NH2+]CC2)C1 ZINC001246020917 807120966 /nfs/dbraw/zinc/12/09/66/807120966.db2.gz KILABCMXKSXCGR-LBPRGKRZSA-N 2 3 259.369 0.254 20 0 CCADHP c1cc2n(c1)C[C@H](CC[NH2+]C1CCNCC1)C[NH2+]C2 ZINC001246135350 807161983 /nfs/dbraw/zinc/16/19/83/807161983.db2.gz AEJQJPXAXCLESY-CYBMUJFWSA-N 2 3 262.401 0.939 20 0 CCADHP CC1(C)C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246147020 807167659 /nfs/dbraw/zinc/16/76/59/807167659.db2.gz PECOZGDFTSOCMG-UONOGXRCSA-N 2 3 280.460 0.981 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246156209 807170887 /nfs/dbraw/zinc/17/08/87/807170887.db2.gz KENFASZKVBHGQC-LXTVHRRPSA-N 2 3 267.417 0.875 20 0 CCADHP CC1CCN(CCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246162281 807172359 /nfs/dbraw/zinc/17/23/59/807172359.db2.gz NJIPNEKLCWRWEP-OAHLLOKOSA-N 2 3 280.460 0.792 20 0 CCADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246457715 807255269 /nfs/dbraw/zinc/25/52/69/807255269.db2.gz QRTFXJVCPYRDST-LBPRGKRZSA-N 3 3 272.462 0.142 20 0 CCADHP CCCN1C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246938654 807436039 /nfs/dbraw/zinc/43/60/39/807436039.db2.gz FQUWWFAYBUAJND-KFWWJZLASA-N 2 3 278.444 0.354 20 0 CCADHP C[N@@H+]1CCC[C@H](N2CCN(CCCC[NH3+])CC2)CC1 ZINC001254515580 808251731 /nfs/dbraw/zinc/25/17/31/808251731.db2.gz YVEWTVXROPTXNH-HNNXBMFYSA-N 2 3 268.449 0.827 20 0 CCADHP C[N@H+]1CCC[C@H](N2CCN(CCCC[NH3+])CC2)CC1 ZINC001254515580 808251737 /nfs/dbraw/zinc/25/17/37/808251737.db2.gz YVEWTVXROPTXNH-HNNXBMFYSA-N 2 3 268.449 0.827 20 0 CCADHP C[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1 ZINC001246125950 839633307 /nfs/dbraw/zinc/63/33/07/839633307.db2.gz FNRQHYFLSQSNAJ-DGAVXFQQSA-N 2 3 252.406 0.010 20 0 CCADHP C[C@H]([NH3+])CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001246304668 839780171 /nfs/dbraw/zinc/78/01/71/839780171.db2.gz MCARKSNHFOFIGF-HSBZDZAISA-N 2 3 255.406 0.957 20 0 CCADHP C1CN(C2CC[NH2+]CC2)C[C@H]1[NH2+][C@H]1CCCNC1 ZINC001246371315 839824555 /nfs/dbraw/zinc/82/45/55/839824555.db2.gz JFFDJGFCAZEJEO-STQMWFEESA-N 2 3 252.406 0.154 20 0 CCADHP CC[N@@H+]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001173358638 842059344 /nfs/dbraw/zinc/05/93/44/842059344.db2.gz QQZQARQJIZDVHM-CQSZACIVSA-N 2 3 254.422 0.437 20 0 CCADHP CC[N@H+]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001173358638 842059354 /nfs/dbraw/zinc/05/93/54/842059354.db2.gz QQZQARQJIZDVHM-CQSZACIVSA-N 2 3 254.422 0.437 20 0 CCADHP CN1CCC[N@H+](CCCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001356581607 926404604 /nfs/dbraw/zinc/40/46/04/926404604.db2.gz BQAKWEGCQHVSKL-MRXNPFEDSA-N 2 3 298.475 0.060 20 0 CCADHP CN1CCC[N@@H+](CCCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001356581607 926404608 /nfs/dbraw/zinc/40/46/08/926404608.db2.gz BQAKWEGCQHVSKL-MRXNPFEDSA-N 2 3 298.475 0.060 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423203758 283136108 /nfs/dbraw/zinc/13/61/08/283136108.db2.gz NIXYOQMAQUFNDQ-ILXRZTDVSA-N 2 3 266.433 0.354 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423203758 283136112 /nfs/dbraw/zinc/13/61/12/283136112.db2.gz NIXYOQMAQUFNDQ-ILXRZTDVSA-N 2 3 266.433 0.354 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000563596486 291240336 /nfs/dbraw/zinc/24/03/36/291240336.db2.gz YFHLHTAJSSREQN-AWEZNQCLSA-N 2 3 299.463 0.121 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](CN)C(C)C)CC1 ZINC000634996775 372332987 /nfs/dbraw/zinc/33/29/87/372332987.db2.gz VBQYWZRIUHMXQG-CQSZACIVSA-N 2 3 298.475 0.798 20 0 CCADHP CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000638043032 374586479 /nfs/dbraw/zinc/58/64/79/374586479.db2.gz JNZDYKWVGOAIAJ-CYBMUJFWSA-N 2 3 287.452 0.105 20 0 CCADHP CCC[N@H+](CCN1CC[NH2+]CC1)C1CCNCC1 ZINC000420326967 285242100 /nfs/dbraw/zinc/24/21/00/285242100.db2.gz YCWBXFNFGAXEJJ-UHFFFAOYSA-N 2 3 254.422 0.356 20 0 CCADHP CCC[N@@H+](CCN1CC[NH2+]CC1)C1CCNCC1 ZINC000420326967 285242103 /nfs/dbraw/zinc/24/21/03/285242103.db2.gz YCWBXFNFGAXEJJ-UHFFFAOYSA-N 2 3 254.422 0.356 20 0 CCADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000361965460 389226344 /nfs/dbraw/zinc/22/63/44/389226344.db2.gz CWVYRCVNNBALLS-GDBMZVCRSA-N 2 3 282.476 0.942 20 0 CCADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CCC([NH+](C)C)CC1 ZINC000361965460 389226346 /nfs/dbraw/zinc/22/63/46/389226346.db2.gz CWVYRCVNNBALLS-GDBMZVCRSA-N 2 3 282.476 0.942 20 0 CCADHP CC(C)C[C@H](N[C@@H](C)C[C@H](C)[NH3+])C(=O)NCC[NH+](C)C ZINC000423021813 389524445 /nfs/dbraw/zinc/52/44/45/389524445.db2.gz CZPVPCNZFIAOBV-IHRRRGAJSA-N 2 3 286.464 0.794 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000572263967 390775851 /nfs/dbraw/zinc/77/58/51/390775851.db2.gz JAOQJHDTSKPTNU-KGLIPLIRSA-N 2 3 299.463 0.249 20 0 CCADHP CCO[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000652356490 412036842 /nfs/dbraw/zinc/03/68/42/412036842.db2.gz NHMIRVKIIDGRFY-ZIAGYGMSSA-N 2 3 255.406 0.672 20 0 CCADHP CCO[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000652356490 412036846 /nfs/dbraw/zinc/03/68/46/412036846.db2.gz NHMIRVKIIDGRFY-ZIAGYGMSSA-N 2 3 255.406 0.672 20 0 CCADHP CCO[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652356490 412036849 /nfs/dbraw/zinc/03/68/49/412036849.db2.gz NHMIRVKIIDGRFY-ZIAGYGMSSA-N 2 3 255.406 0.672 20 0 CCADHP C[NH2+]CCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662265280 414702682 /nfs/dbraw/zinc/70/26/82/414702682.db2.gz PCBMMYNOELOXEP-CQSZACIVSA-N 2 3 267.417 0.829 20 0 CCADHP C([C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505653 613227652 /nfs/dbraw/zinc/22/76/52/613227652.db2.gz GQBHZPLNNFVNOH-BHYGNILZSA-N 2 3 292.471 0.887 20 0 CCADHP C([C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505653 613227653 /nfs/dbraw/zinc/22/76/53/613227653.db2.gz GQBHZPLNNFVNOH-BHYGNILZSA-N 2 3 292.471 0.887 20 0 CCADHP C([C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505653 613227655 /nfs/dbraw/zinc/22/76/55/613227655.db2.gz GQBHZPLNNFVNOH-BHYGNILZSA-N 2 3 292.471 0.887 20 0 CCADHP C(CN1CCN([C@H]2CC[NH2+]C2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354954 613232823 /nfs/dbraw/zinc/23/28/23/613232823.db2.gz XNEVUEXGEKCRIH-HMQMGEFJSA-N 2 3 292.471 0.887 20 0 CCADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742528 613234015 /nfs/dbraw/zinc/23/40/15/613234015.db2.gz CGBPHWKFUKXKLA-CBBWQLFWSA-N 2 3 265.401 0.581 20 0 CCADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742528 613234016 /nfs/dbraw/zinc/23/40/16/613234016.db2.gz CGBPHWKFUKXKLA-CBBWQLFWSA-N 2 3 265.401 0.581 20 0 CCADHP CC[NH+](CC)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923320944 614991424 /nfs/dbraw/zinc/99/14/24/614991424.db2.gz JFSUYBVZODFRAL-KKUMJFAQSA-N 2 3 269.433 0.891 20 0 CCADHP CCOC(=O)C1([C@H](C)NCC2([NH3+])CC2)CC[NH2+]CC1 ZINC000902407839 615160106 /nfs/dbraw/zinc/16/01/06/615160106.db2.gz WFQZQOWOEZRLTH-NSHDSACASA-N 2 3 269.389 0.389 20 0 CCADHP C[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000903757747 634647678 /nfs/dbraw/zinc/64/76/78/634647678.db2.gz GSKUOMQGFXTZBM-APIJFGDWSA-N 2 3 267.417 0.672 20 0 CCADHP C[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000903789662 634652579 /nfs/dbraw/zinc/65/25/79/634652579.db2.gz ZATNAYQYYFAUAL-AAVRWANBSA-N 2 3 253.390 0.282 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+][C@H](C)C2CC[NH2+]CC2)cnn1C ZINC000903937428 634695169 /nfs/dbraw/zinc/69/51/69/634695169.db2.gz KRXOJERVEHZLDK-OCCSQVGLSA-N 2 3 293.459 0.824 20 0 CCADHP C[C@@]1(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)CC[NH2+]C1 ZINC000904393202 634738432 /nfs/dbraw/zinc/73/84/32/634738432.db2.gz NATHNAFHNRJESJ-UONOGXRCSA-N 2 3 267.417 0.816 20 0 CCADHP N[C@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842281 648465212 /nfs/dbraw/zinc/46/52/12/648465212.db2.gz LDOBCPMUQRIQMG-KBPBESRZSA-N 2 3 254.422 0.531 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081484 801568716 /nfs/dbraw/zinc/56/87/16/801568716.db2.gz DNABEBPVEMHKHX-LBPRGKRZSA-N 2 3 268.405 0.173 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060536 802079696 /nfs/dbraw/zinc/07/96/96/802079696.db2.gz CBYKRIUKKMGDHU-SDDRHHMPSA-N 2 3 256.394 0.171 20 0 CCADHP CCN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCC[NH2+]C1 ZINC001161333972 802131571 /nfs/dbraw/zinc/13/15/71/802131571.db2.gz YSQNTNVOZRFIBI-ZIAGYGMSSA-N 2 3 294.443 0.461 20 0 CCADHP CCN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161333972 802131573 /nfs/dbraw/zinc/13/15/73/802131573.db2.gz YSQNTNVOZRFIBI-ZIAGYGMSSA-N 2 3 294.443 0.461 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413784 802147574 /nfs/dbraw/zinc/14/75/74/802147574.db2.gz RHFKJFNCKJJCQX-YJNKXOJESA-N 2 3 296.459 0.678 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413779 802147933 /nfs/dbraw/zinc/14/79/33/802147933.db2.gz RHFKJFNCKJJCQX-AJNGGQMLSA-N 2 3 296.459 0.678 20 0 CCADHP CN(C)CCN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447544 802155787 /nfs/dbraw/zinc/15/57/87/802155787.db2.gz XWXKLFLUFXNXNI-DZGCQCFKSA-N 2 3 282.432 0.271 20 0 CCADHP [NH3+]CCCC[NH2+]CCCNc1ncc2c(n1)CCNC2 ZINC001162290082 802300813 /nfs/dbraw/zinc/30/08/13/802300813.db2.gz IASXZPLSHKZOTE-UHFFFAOYSA-N 2 3 278.404 0.253 20 0 CCADHP CN(C)c1ccncc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218562957 804007208 /nfs/dbraw/zinc/00/72/08/804007208.db2.gz IUZRWEWXYQQWAW-CYBMUJFWSA-N 2 3 277.372 0.413 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001220497381 804615412 /nfs/dbraw/zinc/61/54/12/804615412.db2.gz UCNFFVDPOCEMJK-ZDUSSCGKSA-N 2 3 284.448 0.870 20 0 CCADHP CCOC(=O)C1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246321184 807220968 /nfs/dbraw/zinc/22/09/68/807220968.db2.gz VVDQRORQHDEGFA-CHWSQXEVSA-N 2 3 283.416 0.649 20 0 CCADHP CCOC(=O)C1(CN[C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246321184 807220973 /nfs/dbraw/zinc/22/09/73/807220973.db2.gz VVDQRORQHDEGFA-CHWSQXEVSA-N 2 3 283.416 0.649 20 0 CCADHP [NH3+]CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246479227 807260314 /nfs/dbraw/zinc/26/03/14/807260314.db2.gz SMEQYLBMDHTYPU-YIONKMFJSA-N 2 3 266.433 0.626 20 0 CCADHP N[C@@H]1CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1O ZINC001246558695 807288309 /nfs/dbraw/zinc/28/83/09/807288309.db2.gz MFOYQGFOLLAGST-CEUNDQEZSA-N 2 3 253.390 0.303 20 0 CCADHP N[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1O ZINC001246558695 807288313 /nfs/dbraw/zinc/28/83/13/807288313.db2.gz MFOYQGFOLLAGST-CEUNDQEZSA-N 2 3 253.390 0.303 20 0 CCADHP [NH3+][C@@H]1CCN(C2CCC3(CC[NH2+]C3)CC2)C[C@H]1O ZINC001246558695 807288316 /nfs/dbraw/zinc/28/83/16/807288316.db2.gz MFOYQGFOLLAGST-CEUNDQEZSA-N 2 3 253.390 0.303 20 0 CCADHP C[C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246630366 807335372 /nfs/dbraw/zinc/33/53/72/807335372.db2.gz JIIKVSVHABOFAP-AAVRWANBSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630366 807335380 /nfs/dbraw/zinc/33/53/80/807335380.db2.gz JIIKVSVHABOFAP-AAVRWANBSA-N 2 3 253.390 0.437 20 0 CCADHP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CCN1 ZINC001246630366 807335388 /nfs/dbraw/zinc/33/53/88/807335388.db2.gz JIIKVSVHABOFAP-AAVRWANBSA-N 2 3 253.390 0.437 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220252242 811727149 /nfs/dbraw/zinc/72/71/49/811727149.db2.gz SPDPMGDQJMWYOH-KGLIPLIRSA-N 2 3 284.448 0.646 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220252242 811727156 /nfs/dbraw/zinc/72/71/56/811727156.db2.gz SPDPMGDQJMWYOH-KGLIPLIRSA-N 2 3 284.448 0.646 20 0 CCADHP NC[C@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580316 840113894 /nfs/dbraw/zinc/11/38/94/840113894.db2.gz MVYCXSOIQHRQGP-CRWXNKLISA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580316 840113898 /nfs/dbraw/zinc/11/38/98/840113898.db2.gz MVYCXSOIQHRQGP-CRWXNKLISA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@@H]1CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588711 840133117 /nfs/dbraw/zinc/13/31/17/840133117.db2.gz CCQXFXJLMIHYQS-STQMWFEESA-N 2 3 253.390 0.568 20 0 CCADHP NC[C@@H]1CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588711 840133121 /nfs/dbraw/zinc/13/31/21/840133121.db2.gz CCQXFXJLMIHYQS-STQMWFEESA-N 2 3 253.390 0.568 20 0 CCADHP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCCN1CC1CC1 ZINC001182559111 843854623 /nfs/dbraw/zinc/85/46/23/843854623.db2.gz ASIAATKSOBUBPL-LBPRGKRZSA-N 2 3 281.404 0.322 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240433 358384854 /nfs/dbraw/zinc/38/48/54/358384854.db2.gz LAMJXFNHGWKEDK-CABCVRRESA-N 2 3 285.432 0.047 20 0 CCADHP CCOC(=O)C1([C@H](C)NCC[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000598734347 361501086 /nfs/dbraw/zinc/50/10/86/361501086.db2.gz GFWZBKFEXAGDTN-RYUDHWBXSA-N 2 3 271.405 0.635 20 0 CCADHP CC(C)C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000568879055 291631434 /nfs/dbraw/zinc/63/14/34/291631434.db2.gz DPERIFOPOZEVEQ-ZNMIVQPWSA-N 2 3 298.475 0.938 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000641181010 376853762 /nfs/dbraw/zinc/85/37/62/376853762.db2.gz ONSCCGAKOKWMIP-UONOGXRCSA-N 2 3 299.463 0.391 20 0 CCADHP C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196195 390228330 /nfs/dbraw/zinc/22/83/30/390228330.db2.gz ACJRRLWRZOCVSF-HUUCEWRRSA-N 2 3 266.433 0.213 20 0 CCADHP C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000580196195 390228332 /nfs/dbraw/zinc/22/83/32/390228332.db2.gz ACJRRLWRZOCVSF-HUUCEWRRSA-N 2 3 266.433 0.213 20 0 CCADHP C[C@H]1CNC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548160 390839920 /nfs/dbraw/zinc/83/99/20/390839920.db2.gz WYSHJVBQZNJJDT-YHNBSYBMSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@H]1CNC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548160 390839921 /nfs/dbraw/zinc/83/99/21/390839921.db2.gz WYSHJVBQZNJJDT-YHNBSYBMSA-N 2 3 280.460 0.790 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000663504926 415079577 /nfs/dbraw/zinc/07/95/77/415079577.db2.gz CBYXYWCARSXZHO-ZFWWWQNUSA-N 2 3 296.459 0.837 20 0 CCADHP CC(C)(C)[C@H](C[NH3+])NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753139 614033059 /nfs/dbraw/zinc/03/30/59/614033059.db2.gz RRDWCMQORFDGDV-MBNYWOFBSA-N 2 3 255.406 0.718 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369280 614701912 /nfs/dbraw/zinc/70/19/12/614701912.db2.gz JNTUGKRTXVHRHG-RYUDHWBXSA-N 2 3 253.390 0.343 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369280 614701915 /nfs/dbraw/zinc/70/19/15/614701915.db2.gz JNTUGKRTXVHRHG-RYUDHWBXSA-N 2 3 253.390 0.343 20 0 CCADHP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCCN1 ZINC000925815890 615817972 /nfs/dbraw/zinc/81/79/72/615817972.db2.gz BPUXYPFWWMKMRB-GJZGRUSLSA-N 2 3 268.449 0.920 20 0 CCADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@]1(C)CC[NH2+]C1)C2 ZINC000903977317 616801646 /nfs/dbraw/zinc/80/16/46/616801646.db2.gz OVTFERHUJYPPPC-MXYBEHONSA-N 2 3 281.400 0.198 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+]CCC2(C[NH3+])CC2)cnn1C ZINC000903931563 634691043 /nfs/dbraw/zinc/69/10/43/634691043.db2.gz FGGLBCPWGAVWER-CYBMUJFWSA-N 2 3 279.432 0.565 20 0 CCADHP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1CC[NH3+] ZINC000903978761 634701526 /nfs/dbraw/zinc/70/15/26/634701526.db2.gz WMZMIGOIZBWLQR-MGPQQGTHSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1CC[NH3+] ZINC000903978761 634701528 /nfs/dbraw/zinc/70/15/28/634701528.db2.gz WMZMIGOIZBWLQR-MGPQQGTHSA-N 2 3 282.432 0.100 20 0 CCADHP NCc1cn(-c2cccc(C[NH2+]C3CC(C[NH3+])C3)c2)nn1 ZINC000904384004 634741357 /nfs/dbraw/zinc/74/13/57/634741357.db2.gz GMUFHEBCLGKDBD-UHFFFAOYSA-N 2 3 286.383 0.553 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000925722925 648457179 /nfs/dbraw/zinc/45/71/79/648457179.db2.gz LQWLYIWYZLCEAJ-NDKCEZKHSA-N 2 3 265.401 0.613 20 0 CCADHP [NH3+]C1CCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CC1 ZINC001160511870 801956938 /nfs/dbraw/zinc/95/69/38/801956938.db2.gz XBGKZVSJSZQWST-ZDUSSCGKSA-N 2 3 294.443 0.400 20 0 CCADHP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)CC1 ZINC001160511870 801956943 /nfs/dbraw/zinc/95/69/43/801956943.db2.gz XBGKZVSJSZQWST-ZDUSSCGKSA-N 2 3 294.443 0.400 20 0 CCADHP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)CC1 ZINC001160511870 801956947 /nfs/dbraw/zinc/95/69/47/801956947.db2.gz XBGKZVSJSZQWST-ZDUSSCGKSA-N 2 3 294.443 0.400 20 0 CCADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583294 807306663 /nfs/dbraw/zinc/30/66/63/807306663.db2.gz JIJZCRVBLIXYNP-RDBSUJKOSA-N 2 3 257.422 0.748 20 0 CCADHP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583294 807306673 /nfs/dbraw/zinc/30/66/73/807306673.db2.gz JIJZCRVBLIXYNP-RDBSUJKOSA-N 2 3 257.422 0.748 20 0 CCADHP CN(C)CCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CCC[NH2+]C1 ZINC001161444125 802154190 /nfs/dbraw/zinc/15/41/90/802154190.db2.gz CDJXYYLOYNXIOJ-UONOGXRCSA-N 2 3 282.432 0.256 20 0 CCADHP CN(C)CCN(C(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447552 802155875 /nfs/dbraw/zinc/15/58/75/802155875.db2.gz XWXKLFLUFXNXNI-ZFWWWQNUSA-N 2 3 282.432 0.271 20 0 CCADHP C[NH+](C)CCN1CCC12CN(CC1CC[NH+](C)CC1)C2 ZINC001276695951 803672391 /nfs/dbraw/zinc/67/23/91/803672391.db2.gz IVJBYYLSQZCZFH-UHFFFAOYSA-N 2 3 280.460 0.650 20 0 CCADHP CN(C)c1ccncc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218563097 804007504 /nfs/dbraw/zinc/00/75/04/804007504.db2.gz KMSOUPDEOHSUBE-SECBINFHSA-N 2 3 251.334 0.152 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159684 804521964 /nfs/dbraw/zinc/52/19/64/804521964.db2.gz QVCPNUBIWQRYTB-DYEKYZERSA-N 2 3 268.405 0.091 20 0 CCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220331674 804574963 /nfs/dbraw/zinc/57/49/63/804574963.db2.gz BDWOZBUZRVJNGD-HIFRSBDPSA-N 2 3 296.459 0.550 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001220497418 804615210 /nfs/dbraw/zinc/61/52/10/804615210.db2.gz WLLCTKZAJLGHBE-LBPRGKRZSA-N 2 3 270.421 0.433 20 0 CCADHP CN1CCC[C@@](C)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221243138 804756102 /nfs/dbraw/zinc/75/61/02/804756102.db2.gz FMZCLWOEVMTMBK-GXTWGEPZSA-N 2 3 270.421 0.433 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246156441 807171405 /nfs/dbraw/zinc/17/14/05/807171405.db2.gz LSZVIFQHZVRZNG-CBBWQLFWSA-N 2 3 267.417 0.875 20 0 CCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246420702 807249342 /nfs/dbraw/zinc/24/93/42/807249342.db2.gz YSBIGLZUHZXXRO-RNJOBUHISA-N 2 3 268.405 0.232 20 0 CCADHP CCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246424980 807249662 /nfs/dbraw/zinc/24/96/62/807249662.db2.gz UROQXCUZCXOGDI-GFCCVEGCSA-N 2 3 252.406 0.202 20 0 CCADHP C1CC2(C[NH2+]1)CCC(N1CCN[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246638733 807340369 /nfs/dbraw/zinc/34/03/69/807340369.db2.gz CNAFGXLIPUWNMV-UYSNPLJNSA-N 2 3 278.444 0.546 20 0 CCADHP C[NH+](C)C1CCC(N2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246647157 807343571 /nfs/dbraw/zinc/34/35/71/807343571.db2.gz ZMCFEGILXJUHDI-YMAMQOFZSA-N 2 3 266.433 0.497 20 0 CCADHP C[N@H+](C[C@H]1CCCNC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849491 807405706 /nfs/dbraw/zinc/40/57/06/807405706.db2.gz RWBXFMAMXAVILF-QWHCGFSZSA-N 2 3 252.406 0.012 20 0 CCADHP C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849491 807405707 /nfs/dbraw/zinc/40/57/07/807405707.db2.gz RWBXFMAMXAVILF-QWHCGFSZSA-N 2 3 252.406 0.012 20 0 CCADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)CCC12C[NH2+]C2 ZINC001247010522 807453232 /nfs/dbraw/zinc/45/32/32/807453232.db2.gz WICWRJYPNWHZBC-IHRRRGAJSA-N 2 3 295.427 0.602 20 0 CCADHP C[NH+]1CCC(C[NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253405556 808059463 /nfs/dbraw/zinc/05/94/63/808059463.db2.gz GLUJVPKHKRFBIS-ZDUSSCGKSA-N 2 3 257.422 0.667 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C2CNC2)CC1 ZINC001261661643 809048786 /nfs/dbraw/zinc/04/87/86/809048786.db2.gz XLCOSJWTAVYJMS-GFCCVEGCSA-N 2 3 282.432 0.175 20 0 CCADHP CN1CCc2ncnc(NC(=[NH2+])NCCCC[NH3+])c2C1 ZINC001167880369 812394254 /nfs/dbraw/zinc/39/42/54/812394254.db2.gz JQYAGILMIHWFGN-UHFFFAOYSA-N 2 3 277.376 0.140 20 0 CCADHP CN(CCCCCC[NH3+])C[C@@H](O)C[NH+]1CCCC1 ZINC000710781998 819837262 /nfs/dbraw/zinc/83/72/62/819837262.db2.gz QWLCCARGEQHULN-CQSZACIVSA-N 2 3 257.422 0.894 20 0 CCADHP C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246127703 839634511 /nfs/dbraw/zinc/63/45/11/839634511.db2.gz OXKVFMMOBQJTFJ-ZIAGYGMSSA-N 2 3 266.433 0.592 20 0 CCADHP NC[C@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246589071 840133549 /nfs/dbraw/zinc/13/35/49/840133549.db2.gz YONIVFBUCZMMIY-YNEHKIRRSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246589071 840133551 /nfs/dbraw/zinc/13/35/51/840133551.db2.gz YONIVFBUCZMMIY-YNEHKIRRSA-N 2 3 253.390 0.160 20 0 CCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160696582 840134212 /nfs/dbraw/zinc/13/42/12/840134212.db2.gz XFMCXZMGEQMSSW-ZIAGYGMSSA-N 2 3 294.443 0.319 20 0 CCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160696582 840134220 /nfs/dbraw/zinc/13/42/20/840134220.db2.gz XFMCXZMGEQMSSW-ZIAGYGMSSA-N 2 3 294.443 0.319 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060526 840686944 /nfs/dbraw/zinc/68/69/44/840686944.db2.gz CAWQRRSSZUAFNX-RDBSUJKOSA-N 2 3 284.448 0.774 20 0 CCADHP CN(CC[NH3+])CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119226 841852748 /nfs/dbraw/zinc/85/27/48/841852748.db2.gz WICLVOMUEHDEHX-BTTYYORXSA-N 2 3 254.422 0.482 20 0 CCADHP CN(CC[NH3+])CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119226 841852751 /nfs/dbraw/zinc/85/27/51/841852751.db2.gz WICLVOMUEHDEHX-BTTYYORXSA-N 2 3 254.422 0.482 20 0 CCADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135610 291197338 /nfs/dbraw/zinc/19/73/38/291197338.db2.gz OCKZJDZXGYQGRV-QLFBSQMISA-N 2 3 266.433 0.354 20 0 CCADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](N3CCNCC3)C2)CC[NH2+]1 ZINC000563135610 291197339 /nfs/dbraw/zinc/19/73/39/291197339.db2.gz OCKZJDZXGYQGRV-QLFBSQMISA-N 2 3 266.433 0.354 20 0 CCADHP [NH3+]CCCOCCNCc1ccc2c(c1)C[NH2+]CC2 ZINC000629682013 369755924 /nfs/dbraw/zinc/75/59/24/369755924.db2.gz XZEVZCQUJMVLSN-UHFFFAOYSA-N 2 3 263.385 0.787 20 0 CCADHP NCC1(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000634995999 372332534 /nfs/dbraw/zinc/33/25/34/372332534.db2.gz WBIDHMHVJFXQKI-UHFFFAOYSA-N 2 3 266.433 0.531 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000641181008 376853703 /nfs/dbraw/zinc/85/37/03/376853703.db2.gz ONSCCGAKOKWMIP-KBPBESRZSA-N 2 3 299.463 0.391 20 0 CCADHP CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414658478 389624888 /nfs/dbraw/zinc/62/48/88/389624888.db2.gz QZNVGTHQGIICJU-CHWSQXEVSA-N 2 3 270.421 0.147 20 0 CCADHP CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414658478 389624891 /nfs/dbraw/zinc/62/48/91/389624891.db2.gz QZNVGTHQGIICJU-CHWSQXEVSA-N 2 3 270.421 0.147 20 0 CCADHP C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC[N@@H+]1C ZINC000648770605 390405315 /nfs/dbraw/zinc/40/53/15/390405315.db2.gz ROEDGTWRZYBAQN-ZIAGYGMSSA-N 2 3 284.448 0.278 20 0 CCADHP C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC[N@H+]1C ZINC000648770605 390405318 /nfs/dbraw/zinc/40/53/18/390405318.db2.gz ROEDGTWRZYBAQN-ZIAGYGMSSA-N 2 3 284.448 0.278 20 0 CCADHP CN(C)CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400998657 411779556 /nfs/dbraw/zinc/77/95/56/411779556.db2.gz LOAZVGJOEYVBPM-MELADBBJSA-N 2 3 255.406 0.542 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)C1 ZINC000652346280 412034807 /nfs/dbraw/zinc/03/48/07/412034807.db2.gz XTCAZJPONBTFIZ-TUVASFSCSA-N 2 3 267.417 0.814 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662272236 414703473 /nfs/dbraw/zinc/70/34/73/414703473.db2.gz CXLOLWUNSPVSDO-QLFBSQMISA-N 2 3 279.428 0.829 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662272236 414703474 /nfs/dbraw/zinc/70/34/74/414703474.db2.gz CXLOLWUNSPVSDO-QLFBSQMISA-N 2 3 279.428 0.829 20 0 CCADHP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662244765 414698884 /nfs/dbraw/zinc/69/88/84/414698884.db2.gz HHJXNDKXLSWDPJ-AAEUAGOBSA-N 2 3 253.390 0.567 20 0 CCADHP C[C@@H]([NH2+]CCOCCN(C)C)C1CC[NH+](C)CC1 ZINC000219322372 544816638 /nfs/dbraw/zinc/81/66/38/544816638.db2.gz DFSNNNFCNMFNKU-CYBMUJFWSA-N 2 3 257.422 0.885 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752163 614702290 /nfs/dbraw/zinc/70/22/90/614702290.db2.gz KQWGSNJIKHGFLW-YDHLFZDLSA-N 2 3 267.417 0.733 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752163 614702294 /nfs/dbraw/zinc/70/22/94/614702294.db2.gz KQWGSNJIKHGFLW-YDHLFZDLSA-N 2 3 267.417 0.733 20 0 CCADHP CCN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[NH2+]CC1 ZINC000923334309 615066580 /nfs/dbraw/zinc/06/65/80/615066580.db2.gz CBOBPGNLHPFHCD-UONOGXRCSA-N 2 3 267.417 0.829 20 0 CCADHP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000903874236 616098537 /nfs/dbraw/zinc/09/85/37/616098537.db2.gz VVBLKEYVALUKKF-RUXDESIVSA-N 2 3 292.431 0.904 20 0 CCADHP [NH3+]C[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903717088 634629698 /nfs/dbraw/zinc/62/96/98/634629698.db2.gz ZLOLQAJGXBYWDN-STQMWFEESA-N 2 3 253.390 0.426 20 0 CCADHP C[C@](C[NH3+])(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903717748 634630038 /nfs/dbraw/zinc/63/00/38/634630038.db2.gz VLXDYHVARCTIMU-ZIAGYGMSSA-N 2 3 267.417 0.862 20 0 CCADHP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903762853 634642249 /nfs/dbraw/zinc/64/22/49/634642249.db2.gz FKSRLJDGGPRSHB-VGWMRTNUSA-N 2 3 279.428 0.816 20 0 CCADHP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[C@H]1C[NH3+] ZINC000903788004 634652060 /nfs/dbraw/zinc/65/20/60/634652060.db2.gz AELZZUJGFZJGLF-HZSPNIEDSA-N 2 3 255.406 0.360 20 0 CCADHP N[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C12CCC2 ZINC000925840018 648465478 /nfs/dbraw/zinc/46/54/78/648465478.db2.gz FQTMTOMVIUZXGH-LSDHHAIUSA-N 2 3 280.460 0.921 20 0 CCADHP C[C@@H]1CC[C@H](N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246147677 807167971 /nfs/dbraw/zinc/16/79/71/807167971.db2.gz MBLCKIVQTZKQCW-YIYPIFLZSA-N 2 3 253.390 0.628 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(C)([NH3+])C1 ZINC001157651331 801447258 /nfs/dbraw/zinc/44/72/58/801447258.db2.gz LUTXBUQZDNFVQW-NSHDSACASA-N 2 3 256.394 0.042 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168480 801581332 /nfs/dbraw/zinc/58/13/32/801581332.db2.gz GJOAEKABNOFQOP-AWEZNQCLSA-N 2 3 296.459 0.790 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001161081064 802084040 /nfs/dbraw/zinc/08/40/40/802084040.db2.gz CZIOAMLBBWFIFA-RDBSUJKOSA-N 2 3 282.432 0.256 20 0 CCADHP CC1(C)[NH2+][C@@H](CCN2CCC[C@](O)(C[NH3+])CC2)CO1 ZINC001205210667 803126002 /nfs/dbraw/zinc/12/60/02/803126002.db2.gz QMMGNRXGKGVSFO-GXTWGEPZSA-N 2 3 271.405 0.277 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640903 804054268 /nfs/dbraw/zinc/05/42/68/804054268.db2.gz NEEUFVJZDNMMGK-ZDUSSCGKSA-N 2 3 294.403 0.025 20 0 CCADHP N[C@H](C(=O)Nc1cccc2c1C[NH2+]C2)C1CC[NH2+]CC1 ZINC001218993307 804178437 /nfs/dbraw/zinc/17/84/37/804178437.db2.gz MQWIXFDYHCVUQS-AWEZNQCLSA-N 2 3 274.368 0.555 20 0 CCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220331676 804574894 /nfs/dbraw/zinc/57/48/94/804574894.db2.gz BDWOZBUZRVJNGD-ZFWWWQNUSA-N 2 3 296.459 0.550 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777405 804664943 /nfs/dbraw/zinc/66/49/43/804664943.db2.gz PHVKMBSGEQHLDF-YUTCNCBUSA-N 2 3 268.405 0.363 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805135 804670090 /nfs/dbraw/zinc/67/00/90/804670090.db2.gz QSGUJFPTZYJGCQ-GUBZILKMSA-N 2 3 296.337 0.099 20 0 CCADHP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001220903337 804696952 /nfs/dbraw/zinc/69/69/52/804696952.db2.gz QIAANILOCAYUEP-HNNXBMFYSA-N 2 3 292.427 0.603 20 0 CCADHP CCCC[C@H]1C[C@H](NCCC2(O)C[NH2+]C2)CC[NH2+]1 ZINC001246119613 807160055 /nfs/dbraw/zinc/16/00/55/807160055.db2.gz WNJFTIKMTLTNGS-QWHCGFSZSA-N 2 3 255.406 0.611 20 0 CCADHP C(C[C@@H]1CCOC12CC[NH2+]CC2)N[C@@H]1CCC[NH2+]C1 ZINC001246143186 807165177 /nfs/dbraw/zinc/16/51/77/807165177.db2.gz UOQYEFADNWQPEI-ZIAGYGMSSA-N 2 3 267.417 0.877 20 0 CCADHP CCCCN(C)CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246185923 807180399 /nfs/dbraw/zinc/18/03/99/807180399.db2.gz WQVWIEVVGGQNHV-CQSZACIVSA-N 2 3 268.449 0.792 20 0 CCADHP C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246195803 807183065 /nfs/dbraw/zinc/18/30/65/807183065.db2.gz PXRBLTODLCJVSV-CABCVRRESA-N 2 3 280.460 0.935 20 0 CCADHP C1C[NH2+]C[C@@H](N[C@@H]2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001246255650 807198437 /nfs/dbraw/zinc/19/84/37/807198437.db2.gz LKDBALHBFZQXFM-OLZOCXBDSA-N 2 3 253.390 0.629 20 0 CCADHP CN(CC[NH3+])CC[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246285263 807208988 /nfs/dbraw/zinc/20/89/88/807208988.db2.gz QVENDEBCKMUEPL-DLBZAZTESA-N 2 3 290.455 0.830 20 0 CCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246419531 807248814 /nfs/dbraw/zinc/24/88/14/807248814.db2.gz WCQZMIXJWCSNKV-RYUDHWBXSA-N 2 3 268.405 0.234 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620208 807327692 /nfs/dbraw/zinc/32/76/92/807327692.db2.gz WOEUYEOMOUOTIT-LUKYLMHMSA-N 2 3 292.471 0.935 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620208 807327699 /nfs/dbraw/zinc/32/76/99/807327699.db2.gz WOEUYEOMOUOTIT-LUKYLMHMSA-N 2 3 292.471 0.935 20 0 CCADHP Nc1ccncc1-c1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164319 808193222 /nfs/dbraw/zinc/19/32/22/808193222.db2.gz KMJFHIIETFZIRU-UHFFFAOYSA-N 2 3 289.387 0.471 20 0 CCADHP CN1CCC[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)CC1 ZINC001254505486 808249322 /nfs/dbraw/zinc/24/93/22/808249322.db2.gz HCTFQSZDXKOEOI-OAHLLOKOSA-N 2 3 268.449 0.698 20 0 CCADHP CN1CCC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)CC1 ZINC001254505486 808249329 /nfs/dbraw/zinc/24/93/29/808249329.db2.gz HCTFQSZDXKOEOI-OAHLLOKOSA-N 2 3 268.449 0.698 20 0 CCADHP C[C@@H]1CC[C@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1 ZINC001246089106 839603160 /nfs/dbraw/zinc/60/31/60/839603160.db2.gz OPJLEMLZHOZDBZ-KGLIPLIRSA-N 2 3 254.422 0.402 20 0 CCADHP C(N[C@H]1CCC[NH2+]C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246124456 839633897 /nfs/dbraw/zinc/63/38/97/839633897.db2.gz FHNYKHVKDGGKSV-STQMWFEESA-N 2 3 253.390 0.487 20 0 CCADHP OCCNC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000631863049 370723592 /nfs/dbraw/zinc/72/35/92/370723592.db2.gz WYXOYTWSMSZZRC-UHFFFAOYSA-N 2 3 269.433 0.813 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579363215 390166861 /nfs/dbraw/zinc/16/68/61/390166861.db2.gz IREFALYTBNYSPY-RDBSUJKOSA-N 2 3 255.406 0.278 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579363215 390166864 /nfs/dbraw/zinc/16/68/64/390166864.db2.gz IREFALYTBNYSPY-RDBSUJKOSA-N 2 3 255.406 0.278 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579363215 390166867 /nfs/dbraw/zinc/16/68/67/390166867.db2.gz IREFALYTBNYSPY-RDBSUJKOSA-N 2 3 255.406 0.278 20 0 CCADHP C[NH+](C)C1CCN(CCN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000570942387 390725873 /nfs/dbraw/zinc/72/58/73/390725873.db2.gz QIZTUYCRIWBPOK-KGLIPLIRSA-N 2 3 268.449 0.872 20 0 CCADHP CC(C)(N)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707239 397746035 /nfs/dbraw/zinc/74/60/35/397746035.db2.gz BNZQZCHFNABLLM-RWMBFGLXSA-N 2 3 255.406 0.942 20 0 CCADHP CC(C)(N)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707239 397746040 /nfs/dbraw/zinc/74/60/40/397746040.db2.gz BNZQZCHFNABLLM-RWMBFGLXSA-N 2 3 255.406 0.942 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273253 414703752 /nfs/dbraw/zinc/70/37/52/414703752.db2.gz KVUWZFAFYWQXHX-HZSPNIEDSA-N 2 3 265.401 0.439 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273253 414703753 /nfs/dbraw/zinc/70/37/53/414703753.db2.gz KVUWZFAFYWQXHX-HZSPNIEDSA-N 2 3 265.401 0.439 20 0 CCADHP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246954 414699390 /nfs/dbraw/zinc/69/93/90/414699390.db2.gz VQSXTECUKZOSRF-RWMBFGLXSA-N 2 3 253.390 0.567 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000665289443 415587064 /nfs/dbraw/zinc/58/70/64/415587064.db2.gz OCPDYDYTJRLHNO-DZGCQCFKSA-N 2 3 296.459 0.694 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000582536114 329108508 /nfs/dbraw/zinc/10/85/08/329108508.db2.gz ZJTDJRWRQLTHIK-UHFFFAOYSA-N 2 3 299.463 0.121 20 0 CCADHP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000575867960 335126381 /nfs/dbraw/zinc/12/63/81/335126381.db2.gz IWWKEBOZPZWSPZ-QWHCGFSZSA-N 2 3 282.432 0.243 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293694 613222078 /nfs/dbraw/zinc/22/20/78/613222078.db2.gz NDDFHSRPMJWBAU-ZDUSSCGKSA-N 2 3 253.390 0.487 20 0 CCADHP C([NH2+]C1CCNCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293694 613222080 /nfs/dbraw/zinc/22/20/80/613222080.db2.gz NDDFHSRPMJWBAU-ZDUSSCGKSA-N 2 3 253.390 0.487 20 0 CCADHP CC[NH+](CC)CCO[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923328203 614998861 /nfs/dbraw/zinc/99/88/61/614998861.db2.gz YQDAAIDQYGSEBF-XGUBFFRZSA-N 2 3 285.432 0.270 20 0 CCADHP C[NH+](C)CCC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904378700 615888688 /nfs/dbraw/zinc/88/86/88/615888688.db2.gz IWXKMNAPNRKNHY-MJBXVCDLSA-N 2 3 255.406 0.766 20 0 CCADHP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903744932 634640639 /nfs/dbraw/zinc/64/06/39/634640639.db2.gz ZLEGSQVEFQGEQW-IHRRRGAJSA-N 2 3 267.417 0.814 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cnn1C ZINC000903918593 634685107 /nfs/dbraw/zinc/68/51/07/634685107.db2.gz CIPXJNXSVZDHCV-GUTXKFCHSA-N 2 3 279.432 0.563 20 0 CCADHP CC1(C)NC[C@@H](C[N@@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)O1 ZINC001236623473 806599347 /nfs/dbraw/zinc/59/93/47/806599347.db2.gz UKLKVAKWRNRJJL-KBPBESRZSA-N 2 3 282.432 0.208 20 0 CCADHP CC1(C)NC[C@@H](C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)O1 ZINC001236623473 806599353 /nfs/dbraw/zinc/59/93/53/806599353.db2.gz UKLKVAKWRNRJJL-KBPBESRZSA-N 2 3 282.432 0.208 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1[NH2+][C@H]2CC[C@@H]1C2)[C@H]1CCC[NH2+]C1 ZINC001161444337 802155855 /nfs/dbraw/zinc/15/58/55/802155855.db2.gz GHPGSLLKJSCXKC-QPSCCSFWSA-N 2 3 294.443 0.269 20 0 CCADHP C[NH+](C)CCN(C(=O)[C@H](N)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161446163 802155934 /nfs/dbraw/zinc/15/59/34/802155934.db2.gz QRZYPVAKDZROML-OLZOCXBDSA-N 2 3 284.448 0.502 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710433 804091612 /nfs/dbraw/zinc/09/16/12/804091612.db2.gz FRMVEFIWROEHQO-MNOVXSKESA-N 2 3 295.387 0.755 20 0 CCADHP N[C@H](C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001220163006 804523704 /nfs/dbraw/zinc/52/37/04/804523704.db2.gz NMSCRSHTYYZXDQ-OFQRWUPVSA-N 2 3 294.443 0.352 20 0 CCADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252231 804550817 /nfs/dbraw/zinc/55/08/17/804550817.db2.gz RXXLDPWVIYIMKG-KGLIPLIRSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220252231 804550821 /nfs/dbraw/zinc/55/08/21/804550821.db2.gz RXXLDPWVIYIMKG-KGLIPLIRSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252231 804550825 /nfs/dbraw/zinc/55/08/25/804550825.db2.gz RXXLDPWVIYIMKG-KGLIPLIRSA-N 2 3 294.443 0.461 20 0 CCADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220252231 804550830 /nfs/dbraw/zinc/55/08/30/804550830.db2.gz RXXLDPWVIYIMKG-KGLIPLIRSA-N 2 3 294.443 0.461 20 0 CCADHP C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001221403530 804805897 /nfs/dbraw/zinc/80/58/97/804805897.db2.gz VETJHKFBCAMEOP-RUXDESIVSA-N 2 3 284.448 0.679 20 0 CCADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408093 804808056 /nfs/dbraw/zinc/80/80/56/804808056.db2.gz OQXSVQZNSYPWBH-MCIONIFRSA-N 2 3 294.443 0.030 20 0 CCADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)[C@H](C)C1 ZINC001221408093 804808062 /nfs/dbraw/zinc/80/80/62/804808062.db2.gz OQXSVQZNSYPWBH-MCIONIFRSA-N 2 3 294.443 0.030 20 0 CCADHP [NH3+]C12CC(CCN3CCN[C@H]4CC[NH2+]CC[C@@H]43)(C1)C2 ZINC001222491997 804906803 /nfs/dbraw/zinc/90/68/03/804906803.db2.gz MRRLPNZKFNXSFS-HESLUPGFSA-N 2 3 264.417 0.284 20 0 CCADHP C[C@@]1([NH3+])CCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246023018 807121840 /nfs/dbraw/zinc/12/18/40/807121840.db2.gz RPIVWZZLLCYRMA-ZIAGYGMSSA-N 2 3 285.432 0.055 20 0 CCADHP c1cc2n(c1)C[C@H](CCN[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246141263 807164724 /nfs/dbraw/zinc/16/47/24/807164724.db2.gz POYCEZPYLFQLIM-KGLIPLIRSA-N 2 3 262.401 0.939 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246155843 807171393 /nfs/dbraw/zinc/17/13/93/807171393.db2.gz GOVKPSODRNZVPB-BFHYXJOUSA-N 2 3 253.390 0.487 20 0 CCADHP CCCCN(C)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246185922 807181020 /nfs/dbraw/zinc/18/10/20/807181020.db2.gz WQVWIEVVGGQNHV-AWEZNQCLSA-N 2 3 268.449 0.792 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]CCCOCCOCCC[NH3+])CCN1 ZINC001246208587 807186622 /nfs/dbraw/zinc/18/66/22/807186622.db2.gz DUXLRMLJCHHVJE-KGLIPLIRSA-N 2 3 273.421 0.489 20 0 CCADHP CC1(C)CNCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246369394 807236611 /nfs/dbraw/zinc/23/66/11/807236611.db2.gz DSQXZHNHUUJVJY-VXGBXAGGSA-N 2 3 252.406 0.058 20 0 CCADHP CC(C)[C@@H]1C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545943 807281390 /nfs/dbraw/zinc/28/13/90/807281390.db2.gz XQXJRXXXHIQNDY-KKUMJFAQSA-N 2 3 269.433 0.939 20 0 CCADHP F[C@@H]1CCNC[C@@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693908 807356655 /nfs/dbraw/zinc/35/66/55/807356655.db2.gz RFMLAKMQQQMFMR-MGPQQGTHSA-N 2 3 282.407 0.104 20 0 CCADHP F[C@@H]1CCNC[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693908 807356664 /nfs/dbraw/zinc/35/66/64/807356664.db2.gz RFMLAKMQQQMFMR-MGPQQGTHSA-N 2 3 282.407 0.104 20 0 CCADHP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747212 807371477 /nfs/dbraw/zinc/37/14/77/807371477.db2.gz KNSCUKTVINIGKI-YHUYYLMFSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747212 807371486 /nfs/dbraw/zinc/37/14/86/807371486.db2.gz KNSCUKTVINIGKI-YHUYYLMFSA-N 2 3 280.460 0.837 20 0 CCADHP [NH3+][C@H]1CCN(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246966865 807442193 /nfs/dbraw/zinc/44/21/93/807442193.db2.gz KXPRHCVRHFCERY-ZNUWXHPXSA-N 2 3 278.444 0.767 20 0 CCADHP C([C@@H]1CCCNC1)[N@H+](C1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970976 807443816 /nfs/dbraw/zinc/44/38/16/807443816.db2.gz FFYNUGKIWHKEID-HIFRSBDPSA-N 2 3 278.444 0.544 20 0 CCADHP C([C@@H]1CCCNC1)[N@@H+](C1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246970976 807443817 /nfs/dbraw/zinc/44/38/17/807443817.db2.gz FFYNUGKIWHKEID-HIFRSBDPSA-N 2 3 278.444 0.544 20 0 CCADHP CN(C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC001161444712 811602669 /nfs/dbraw/zinc/60/26/69/811602669.db2.gz KNDGNESVMVQOLL-RBSFLKMASA-N 2 3 296.459 0.646 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CN([C@@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246642515 840223068 /nfs/dbraw/zinc/22/30/68/840223068.db2.gz MBYGCHMLILTUQA-GDBMZVCRSA-N 2 3 278.444 0.546 20 0 CCADHP [NH3+]CCOCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243687 358385298 /nfs/dbraw/zinc/38/52/98/358385298.db2.gz YWZDFEHGOABIGA-CQSZACIVSA-N 2 3 271.405 0.052 20 0 CCADHP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000563137814 291197733 /nfs/dbraw/zinc/19/77/33/291197733.db2.gz YNLHNZOCFDEDKY-KGLIPLIRSA-N 2 3 284.448 0.489 20 0 CCADHP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000563137814 291197734 /nfs/dbraw/zinc/19/77/34/291197734.db2.gz YNLHNZOCFDEDKY-KGLIPLIRSA-N 2 3 284.448 0.489 20 0 CCADHP C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627199160 368867523 /nfs/dbraw/zinc/86/75/23/368867523.db2.gz SACFBYJIJCSTJP-KBPBESRZSA-N 2 3 299.463 0.262 20 0 CCADHP C[NH2+]CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000629530696 369691642 /nfs/dbraw/zinc/69/16/42/369691642.db2.gz NOMFGCSURHYXTL-BFHYXJOUSA-N 2 3 255.406 0.685 20 0 CCADHP C[C@@H]1C[NH2+]CC[C@H]1C[NH+]1CCC(NCCO)CC1 ZINC000635001954 372338704 /nfs/dbraw/zinc/33/87/04/372338704.db2.gz GBMIVPSMPPIAMS-OLZOCXBDSA-N 2 3 255.406 0.278 20 0 CCADHP C[C@@H]1C[NH2+]CC[C@H]1CN1CCC([NH2+]CCO)CC1 ZINC000635001954 372338709 /nfs/dbraw/zinc/33/87/09/372338709.db2.gz GBMIVPSMPPIAMS-OLZOCXBDSA-N 2 3 255.406 0.278 20 0 CCADHP C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574809580 335049140 /nfs/dbraw/zinc/04/91/40/335049140.db2.gz USSXBEBNFFXCNV-STQMWFEESA-N 2 3 287.452 0.247 20 0 CCADHP C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC[NH2+]CC1 ZINC000575046911 335058752 /nfs/dbraw/zinc/05/87/52/335058752.db2.gz XVSIRAMWQWEHFB-HNNXBMFYSA-N 2 3 266.433 0.356 20 0 CCADHP C[C@H](NCC1CC[NH+](CCO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422975753 389514474 /nfs/dbraw/zinc/51/44/74/389514474.db2.gz HFBSJRMXBJGJTK-ZFWWWQNUSA-N 2 3 269.433 0.811 20 0 CCADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000423200838 389552065 /nfs/dbraw/zinc/55/20/65/389552065.db2.gz GQCYACXGGXYDSK-HOCLYGCPSA-N 2 3 276.428 0.440 20 0 CCADHP CN(C)CCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792896 390173289 /nfs/dbraw/zinc/17/32/89/390173289.db2.gz DNBSGDBANUXHPD-BFYDXBDKSA-N 2 3 294.487 0.990 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580839235 390248847 /nfs/dbraw/zinc/24/88/47/390248847.db2.gz OHYFTZOYDRACHX-ZIAGYGMSSA-N 2 3 255.406 0.421 20 0 CCADHP [NH3+]CCCN(CCN1CC[NH2+]CC1)CC1CCCC1 ZINC000420308199 303377669 /nfs/dbraw/zinc/37/76/69/303377669.db2.gz CQHCKDOWSKQELQ-UHFFFAOYSA-N 2 3 268.449 0.733 20 0 CCADHP NCCC[N@H+](CCN1CC[NH2+]CC1)CC1CCCC1 ZINC000420308199 303377670 /nfs/dbraw/zinc/37/76/70/303377670.db2.gz CQHCKDOWSKQELQ-UHFFFAOYSA-N 2 3 268.449 0.733 20 0 CCADHP NCCC[N@@H+](CCN1CC[NH2+]CC1)CC1CCCC1 ZINC000420308199 303377672 /nfs/dbraw/zinc/37/76/72/303377672.db2.gz CQHCKDOWSKQELQ-UHFFFAOYSA-N 2 3 268.449 0.733 20 0 CCADHP C[C@@H]1CN(CC2CC[NH+](CCOCC[NH3+])CC2)C[C@@H](C)O1 ZINC000357090429 524939112 /nfs/dbraw/zinc/93/91/12/524939112.db2.gz VPDQBSBHAGOVIL-HUUCEWRRSA-N 2 3 299.459 0.783 20 0 CCADHP CC(C)([NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980502 614161692 /nfs/dbraw/zinc/16/16/92/614161692.db2.gz TVOPAYXCMCSHHR-OKILXGFUSA-N 2 3 266.433 0.624 20 0 CCADHP CC(C)([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980502 614161695 /nfs/dbraw/zinc/16/16/95/614161695.db2.gz TVOPAYXCMCSHHR-OKILXGFUSA-N 2 3 266.433 0.624 20 0 CCADHP CC(C)([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980502 614161698 /nfs/dbraw/zinc/16/16/98/614161698.db2.gz TVOPAYXCMCSHHR-OKILXGFUSA-N 2 3 266.433 0.624 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782400 614854261 /nfs/dbraw/zinc/85/42/61/614854261.db2.gz MKLXVEXWQMVJQQ-KZVDOYCCSA-N 2 3 253.390 0.470 20 0 CCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782400 614854263 /nfs/dbraw/zinc/85/42/63/614854263.db2.gz MKLXVEXWQMVJQQ-KZVDOYCCSA-N 2 3 253.390 0.470 20 0 CCADHP CN(CCN1CC[NH2+]CC1)Cc1ccc(C[NH3+])cc1 ZINC000904300119 616088616 /nfs/dbraw/zinc/08/86/16/616088616.db2.gz WJXSAFXMRXMUFG-UHFFFAOYSA-N 2 3 262.401 0.482 20 0 CCADHP C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CCC([NH3+])CC1 ZINC000843055336 616152760 /nfs/dbraw/zinc/15/27/60/616152760.db2.gz YZFNJIGQEAUDTB-IYXRBSQSSA-N 2 3 282.432 0.385 20 0 CCADHP C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CCC([NH3+])CC1 ZINC000843055336 616152761 /nfs/dbraw/zinc/15/27/61/616152761.db2.gz YZFNJIGQEAUDTB-IYXRBSQSSA-N 2 3 282.432 0.385 20 0 CCADHP COCC1(C[NH2+][C@H]2CCNC23CCC3)CC[NH2+]CC1 ZINC000925700520 616775997 /nfs/dbraw/zinc/77/59/97/616775997.db2.gz QVRSLLVJQDOVLC-ZDUSSCGKSA-N 2 3 267.417 0.877 20 0 CCADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923427792 616800961 /nfs/dbraw/zinc/80/09/61/616800961.db2.gz CKIRHCUICAFUGH-ZOWXZIJZSA-N 2 3 281.400 0.341 20 0 CCADHP COC[C@@H](CCC[NH3+])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838872 616843812 /nfs/dbraw/zinc/84/38/12/616843812.db2.gz DJBFSCGGFREHKR-MGPQQGTHSA-N 2 3 255.406 0.862 20 0 CCADHP C[NH2+]CCOCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718111 616968727 /nfs/dbraw/zinc/96/87/27/616968727.db2.gz GRMORUVPGYGADJ-CABCVRRESA-N 2 3 269.433 0.980 20 0 CCADHP C[C@]1(C[NH3+])CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903747237 634634659 /nfs/dbraw/zinc/63/46/59/634634659.db2.gz QJTKTHSNGXMOLD-MGPQQGTHSA-N 2 3 253.390 0.426 20 0 CCADHP OCCNC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923414436 640129937 /nfs/dbraw/zinc/12/99/37/640129937.db2.gz VTBSWHBYZLJQHV-VHRNVKJDSA-N 2 3 281.444 0.953 20 0 CCADHP CC1(N2CCN(CCCC[NH3+])CC2)CC[NH2+]CC1 ZINC001235816749 806506031 /nfs/dbraw/zinc/50/60/31/806506031.db2.gz YKBPJRHTUIRDEQ-UHFFFAOYSA-N 2 3 254.422 0.485 20 0 CCADHP C[C@@H]1CC[C@H](NCC[C@@H]2CCOC23C[NH2+]C3)C[NH2+]1 ZINC001246139919 807164132 /nfs/dbraw/zinc/16/41/32/807164132.db2.gz YBTQOBKLXPRCIL-UPJWGTAASA-N 2 3 253.390 0.485 20 0 CCADHP N[C@@H](C(=O)N1CCC2(CC([NH3+])C2)CC1)C1CC[NH2+]CC1 ZINC001158082400 801568760 /nfs/dbraw/zinc/56/87/60/801568760.db2.gz PHTBCASDYOHDFB-CYBMUJFWSA-N 2 3 280.416 0.043 20 0 CCADHP C[NH+]1CCC2(CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)CC1 ZINC001160993560 802057304 /nfs/dbraw/zinc/05/73/04/802057304.db2.gz WLNAWOWFNJCPGA-ZDUSSCGKSA-N 2 3 282.432 0.387 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH3+])C1(C)CC[NH2+]CC1 ZINC001161073527 802083429 /nfs/dbraw/zinc/08/34/29/802083429.db2.gz OYBFXRLEWBCZLJ-NSHDSACASA-N 2 3 256.394 0.043 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]12 ZINC001161412264 802148222 /nfs/dbraw/zinc/14/82/22/802148222.db2.gz IHPGXODSHJSRID-SYQHCUMBSA-N 2 3 292.427 0.056 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]12 ZINC001161412264 802148224 /nfs/dbraw/zinc/14/82/24/802148224.db2.gz IHPGXODSHJSRID-SYQHCUMBSA-N 2 3 292.427 0.056 20 0 CCADHP C[NH+](C)CCCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207398760 803394262 /nfs/dbraw/zinc/39/42/62/803394262.db2.gz NFIBVMDNMZCOMV-UHFFFAOYSA-N 2 3 282.476 0.898 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219115491 804207066 /nfs/dbraw/zinc/20/70/66/804207066.db2.gz BKNPWNGPXMDJFO-CQSZACIVSA-N 2 3 291.399 0.101 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)C1CCC(C[NH3+])CC1 ZINC001221390668 804798776 /nfs/dbraw/zinc/79/87/76/804798776.db2.gz SRDQFVYPVSXUHK-UHFFFAOYSA-N 2 3 297.447 0.815 20 0 CCADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001221388373 804799434 /nfs/dbraw/zinc/79/94/34/804799434.db2.gz CDQFWWKYRZNXLK-QWRGUYRKSA-N 2 3 287.383 0.140 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CCN1 ZINC001246138697 807163393 /nfs/dbraw/zinc/16/33/93/807163393.db2.gz NSWVMQZSUDXQAH-FRRDWIJNSA-N 2 3 253.390 0.485 20 0 CCADHP CN(C)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+](C)CC1 ZINC001246175847 807176493 /nfs/dbraw/zinc/17/64/93/807176493.db2.gz GQFRGLLMROOSNU-YIONKMFJSA-N 2 3 280.460 0.885 20 0 CCADHP COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C[C@H](C1)N2 ZINC001246205564 807186176 /nfs/dbraw/zinc/18/61/76/807186176.db2.gz PUBVTMISHNQCLB-MBWUCKICSA-N 2 3 295.427 0.918 20 0 CCADHP CCOC(=O)C1(C[NH2+][C@@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246320723 807220522 /nfs/dbraw/zinc/22/05/22/807220522.db2.gz SZWWCCBIRVECQJ-CYBMUJFWSA-N 2 3 283.416 0.651 20 0 CCADHP CCOC(=O)C1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246321190 807220994 /nfs/dbraw/zinc/22/09/94/807220994.db2.gz VVDQRORQHDEGFA-QWHCGFSZSA-N 2 3 283.416 0.649 20 0 CCADHP CCOC(=O)C1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246321190 807220997 /nfs/dbraw/zinc/22/09/97/807220997.db2.gz VVDQRORQHDEGFA-QWHCGFSZSA-N 2 3 283.416 0.649 20 0 CCADHP [NH3+]CC1CC[NH+](C2CCC3(CC2)CNCCO3)CC1 ZINC001246550609 807283676 /nfs/dbraw/zinc/28/36/76/807283676.db2.gz NUDKODVLZYGBAZ-UHFFFAOYSA-N 2 3 267.417 0.958 20 0 CCADHP C1[NH2+]CC12C[C@@H](N1CCC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246624840 807330050 /nfs/dbraw/zinc/33/00/50/807330050.db2.gz CRMJBFAFABWMKG-UONOGXRCSA-N 2 3 264.417 0.156 20 0 CCADHP CN(C)CCN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444169 811602089 /nfs/dbraw/zinc/60/20/89/811602089.db2.gz DFCRBGKPSUZROF-HUUCEWRRSA-N 2 3 296.459 0.518 20 0 CCADHP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161446553 811633537 /nfs/dbraw/zinc/63/35/37/811633537.db2.gz SLGWZGRVBROBFY-KKUMJFAQSA-N 2 3 298.475 0.892 20 0 CCADHP CCN(CC)CC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246420108 839838056 /nfs/dbraw/zinc/83/80/56/839838056.db2.gz WXQPIGHHEFYBDY-OLZOCXBDSA-N 2 3 272.437 0.679 20 0 CCADHP [NH3+]Cc1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205681103 846419456 /nfs/dbraw/zinc/41/94/56/846419456.db2.gz FJJUXTZHHLLYOB-OAHLLOKOSA-N 2 3 263.385 0.821 20 0 CCADHP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563601165 291240712 /nfs/dbraw/zinc/24/07/12/291240712.db2.gz MIPKBIQGRITAOH-UONOGXRCSA-N 2 3 299.463 0.119 20 0 CCADHP NCC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566230639 291379901 /nfs/dbraw/zinc/37/99/01/291379901.db2.gz ZSESJAHDIFCZBA-KBPBESRZSA-N 2 3 294.443 0.306 20 0 CCADHP NCC1(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566230639 291379902 /nfs/dbraw/zinc/37/99/02/291379902.db2.gz ZSESJAHDIFCZBA-KBPBESRZSA-N 2 3 294.443 0.306 20 0 CCADHP C[C@@H](NCC1CC[NH+](CCO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422975750 389513992 /nfs/dbraw/zinc/51/39/92/389513992.db2.gz HFBSJRMXBJGJTK-HIFRSBDPSA-N 2 3 269.433 0.811 20 0 CCADHP CC(C)C[C@H](N[C@H](C)C[C@@H](C)[NH3+])C(=O)NCC[NH+](C)C ZINC000423021814 389523685 /nfs/dbraw/zinc/52/36/85/389523685.db2.gz CZPVPCNZFIAOBV-MCIONIFRSA-N 2 3 286.464 0.794 20 0 CCADHP [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@H]3CC[NH2+]C3)CC2)C1 ZINC000647992541 390241691 /nfs/dbraw/zinc/24/16/91/390241691.db2.gz NCPBXKIHNHKXCX-CFVMTHIKSA-N 2 3 267.417 0.814 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000582231360 390271019 /nfs/dbraw/zinc/27/10/19/390271019.db2.gz LYVHJQOFZUXGBW-CQSZACIVSA-N 2 3 299.463 0.121 20 0 CCADHP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276432 414704561 /nfs/dbraw/zinc/70/45/61/414704561.db2.gz MOOIGFCMGVCHAT-KKUMJFAQSA-N 2 3 279.428 0.971 20 0 CCADHP C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000662291012 414707585 /nfs/dbraw/zinc/70/75/85/414707585.db2.gz BGRORIXOWAIAII-MRXNPFEDSA-N 2 3 280.460 0.603 20 0 CCADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000572879714 334887316 /nfs/dbraw/zinc/88/73/16/334887316.db2.gz SXTYGQTTWSOWBD-CQSZACIVSA-N 2 3 294.443 0.259 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923365813 613224653 /nfs/dbraw/zinc/22/46/53/613224653.db2.gz ZJHXYZBRCCPTGI-ILXRZTDVSA-N 2 3 279.428 0.829 20 0 CCADHP CCC1([NH3+])CCN([C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)CC1 ZINC000925761098 614704636 /nfs/dbraw/zinc/70/46/36/614704636.db2.gz ULGBGAINNCPPCP-YXSUXZIUSA-N 2 3 267.417 0.942 20 0 CCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+](C)C ZINC000848989978 615131940 /nfs/dbraw/zinc/13/19/40/615131940.db2.gz PEAJQCZFGRJLBJ-CYBMUJFWSA-N 2 3 269.437 0.926 20 0 CCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995255 615144868 /nfs/dbraw/zinc/14/48/68/615144868.db2.gz MNDSQEKSOQQROM-AWEZNQCLSA-N 2 3 290.415 0.514 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903744589 634639808 /nfs/dbraw/zinc/63/98/08/634639808.db2.gz VJLWBXIHNANRBS-RFQIPJPRSA-N 2 3 253.390 0.424 20 0 CCADHP C[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000903757749 634647232 /nfs/dbraw/zinc/64/72/32/634647232.db2.gz GSKUOMQGFXTZBM-KBXIAJHMSA-N 2 3 267.417 0.672 20 0 CCADHP C[C@H](NCCN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000925817665 631307658 /nfs/dbraw/zinc/30/76/58/631307658.db2.gz UYJVRSYVXYFIES-STQMWFEESA-N 2 3 254.422 0.387 20 0 CCADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCC([NH3+])CC1 ZINC000925817400 648464469 /nfs/dbraw/zinc/46/44/69/648464469.db2.gz RHKUJLLQMCELHS-YOEHRIQHSA-N 2 3 290.455 0.958 20 0 CCADHP N[C@@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842286 648465087 /nfs/dbraw/zinc/46/50/87/648465087.db2.gz LDOBCPMUQRIQMG-ZIAGYGMSSA-N 2 3 254.422 0.531 20 0 CCADHP C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246129183 807160837 /nfs/dbraw/zinc/16/08/37/807160837.db2.gz SWBBFLQESMIEIU-STQMWFEESA-N 2 3 252.406 0.202 20 0 CCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161051644 802077897 /nfs/dbraw/zinc/07/78/97/802077897.db2.gz XMXLUUXZLMMMBZ-IIAWOOMASA-N 2 3 294.443 0.127 20 0 CCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161051644 802077905 /nfs/dbraw/zinc/07/79/05/802077905.db2.gz XMXLUUXZLMMMBZ-IIAWOOMASA-N 2 3 294.443 0.127 20 0 CCADHP C[C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H](C)N1 ZINC001161231790 802113660 /nfs/dbraw/zinc/11/36/60/802113660.db2.gz QOVHDELNUQWALA-SRVKXCTJSA-N 2 3 256.394 0.042 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161443004 802154460 /nfs/dbraw/zinc/15/44/60/802154460.db2.gz KGGKSPSOWGOCLT-LJISPDSOSA-N 2 3 294.443 0.269 20 0 CCADHP Cc1nc(NCCC[NH2+]CCCC[NH3+])cc(N(C)C)n1 ZINC001162289525 802301087 /nfs/dbraw/zinc/30/10/87/802301087.db2.gz ZHFIKBSUKWXLJH-UHFFFAOYSA-N 2 3 280.420 0.982 20 0 CCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1(N)CC1 ZINC000088130616 803447712 /nfs/dbraw/zinc/44/77/12/803447712.db2.gz JHOSVQVOUBPIDY-UHFFFAOYSA-N 2 3 270.421 0.210 20 0 CCADHP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219025393 804184082 /nfs/dbraw/zinc/18/40/82/804184082.db2.gz IDJKFZTZXBQKOA-GFCCVEGCSA-N 2 3 278.356 0.173 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219920555 804448451 /nfs/dbraw/zinc/44/84/51/804448451.db2.gz HPPVOUISKFUGLT-AWEZNQCLSA-N 2 3 286.464 0.894 20 0 CCADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220220675 804540620 /nfs/dbraw/zinc/54/06/20/804540620.db2.gz APNXISOPWJNJOV-AVGNSLFASA-N 2 3 270.421 0.432 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)CC1CC[NH2+]CC1 ZINC001221388891 804798916 /nfs/dbraw/zinc/79/89/16/804798916.db2.gz GKBMWKIQBPKHPT-UHFFFAOYSA-N 2 3 283.420 0.440 20 0 CCADHP CC1(C)[NH2+][C@@H](CCN2CCNC3(CC[NH2+]CC3)C2)CO1 ZINC001222086355 804866699 /nfs/dbraw/zinc/86/66/99/804866699.db2.gz XAKWKICQWCBDRG-ZDUSSCGKSA-N 2 3 282.432 0.128 20 0 CCADHP C[C@]1(C[NH3+])CCCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246022840 807121793 /nfs/dbraw/zinc/12/17/93/807121793.db2.gz PHNZSSIODBFYKS-HUUCEWRRSA-N 2 3 299.459 0.303 20 0 CCADHP C[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246123403 807159834 /nfs/dbraw/zinc/15/98/34/807159834.db2.gz DKZCIGXFRWKRSY-MCIONIFRSA-N 2 3 266.433 0.591 20 0 CCADHP C(C[C@H]1CCOC12CC[NH2+]CC2)[NH2+]C1CCNCC1 ZINC001246143202 807166349 /nfs/dbraw/zinc/16/63/49/807166349.db2.gz UVRNOKFFJZNWCM-ZDUSSCGKSA-N 2 3 267.417 0.877 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)CCN1 ZINC001246236737 807194589 /nfs/dbraw/zinc/19/45/89/807194589.db2.gz YTNNLSWGWXLQMW-OCCSQVGLSA-N 2 3 255.406 0.421 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246252154 807198941 /nfs/dbraw/zinc/19/89/41/807198941.db2.gz ZWALKPBXHNMTBO-HZSPNIEDSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC001246252154 807198944 /nfs/dbraw/zinc/19/89/44/807198944.db2.gz ZWALKPBXHNMTBO-HZSPNIEDSA-N 2 3 267.417 0.875 20 0 CCADHP C1CC([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246257048 807199465 /nfs/dbraw/zinc/19/94/65/807199465.db2.gz RDKSNTYNSKSDIA-ZDUSSCGKSA-N 2 3 253.390 0.629 20 0 CCADHP CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246337895 807225982 /nfs/dbraw/zinc/22/59/82/807225982.db2.gz XHFQDBNAYYWPIZ-MGPQQGTHSA-N 2 3 266.433 0.543 20 0 CCADHP CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246369393 807236864 /nfs/dbraw/zinc/23/68/64/807236864.db2.gz DSQXZHNHUUJVJY-RYUDHWBXSA-N 2 3 252.406 0.058 20 0 CCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246420701 807250394 /nfs/dbraw/zinc/25/03/94/807250394.db2.gz YSBIGLZUHZXXRO-LOWDOPEQSA-N 2 3 268.405 0.232 20 0 CCADHP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583554 807304932 /nfs/dbraw/zinc/30/49/32/807304932.db2.gz JIJZCRVBLIXYNP-MELADBBJSA-N 2 3 257.422 0.748 20 0 CCADHP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583554 807304940 /nfs/dbraw/zinc/30/49/40/807304940.db2.gz JIJZCRVBLIXYNP-MELADBBJSA-N 2 3 257.422 0.748 20 0 CCADHP C1[NH2+]C[C@H]2C[C@@H]([N@@H+]3CCN[C@H]4CCNCC[C@@H]43)C[C@@H]12 ZINC001246620889 807329569 /nfs/dbraw/zinc/32/95/69/807329569.db2.gz ZZGMTGSTUNSWOM-AICCOOGYSA-N 2 3 264.417 0.010 20 0 CCADHP C1[NH2+]C[C@H]2C[C@@H]([N@H+]3CCN[C@H]4CCNCC[C@@H]43)C[C@@H]12 ZINC001246620889 807329577 /nfs/dbraw/zinc/32/95/77/807329577.db2.gz ZZGMTGSTUNSWOM-AICCOOGYSA-N 2 3 264.417 0.010 20 0 CCADHP [NH3+]C1CCN([C@H]2CCN(C3CC[NH2+]CC3)C2)CC1 ZINC001246975664 807445238 /nfs/dbraw/zinc/44/52/38/807445238.db2.gz NFHCESJOMZLUPB-AWEZNQCLSA-N 2 3 252.406 0.236 20 0 CCADHP [NH2+]=C(NCCCC[NH3+])NC1CCC(N2CCOCC2)CC1 ZINC001256679436 808548761 /nfs/dbraw/zinc/54/87/61/808548761.db2.gz KZVUIVIKQWSVKV-UHFFFAOYSA-N 2 3 297.447 0.483 20 0 CCADHP CC[N@@H+]1CC[C@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001173358633 842058749 /nfs/dbraw/zinc/05/87/49/842058749.db2.gz QQZQARQJIZDVHM-AWEZNQCLSA-N 2 3 254.422 0.437 20 0 CCADHP CC[N@H+]1CC[C@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001173358633 842058756 /nfs/dbraw/zinc/05/87/56/842058756.db2.gz QQZQARQJIZDVHM-AWEZNQCLSA-N 2 3 254.422 0.437 20 0 CCADHP C[NH+]1CCC(O)(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000693682417 855602221 /nfs/dbraw/zinc/60/22/21/855602221.db2.gz ZLFIFAMUVCVFOT-HZSPNIEDSA-N 2 3 281.444 0.809 20 0 CCADHP C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000557236861 291028632 /nfs/dbraw/zinc/02/86/32/291028632.db2.gz JTQJHJNNEWQJNV-CYBMUJFWSA-N 2 3 287.452 0.249 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629541622 369697381 /nfs/dbraw/zinc/69/73/81/369697381.db2.gz XVCVQOPNKCDSNZ-BFHYXJOUSA-N 2 3 255.406 0.862 20 0 CCADHP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000634733502 372177616 /nfs/dbraw/zinc/17/76/16/372177616.db2.gz HAXOIVDMCFZMHE-UONOGXRCSA-N 2 3 296.459 0.552 20 0 CCADHP CC(C)C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C(=O)NCC[NH+](C)C ZINC000568879052 291631155 /nfs/dbraw/zinc/63/11/55/291631155.db2.gz DPERIFOPOZEVEQ-KKUMJFAQSA-N 2 3 298.475 0.938 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000521435933 390605580 /nfs/dbraw/zinc/60/55/80/390605580.db2.gz GSXFWNBMGZVFKW-KFWWJZLASA-N 2 3 294.443 0.115 20 0 CCADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000521435933 390605583 /nfs/dbraw/zinc/60/55/83/390605583.db2.gz GSXFWNBMGZVFKW-KFWWJZLASA-N 2 3 294.443 0.115 20 0 CCADHP CC[NH2+]CCCN[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000581065696 336002816 /nfs/dbraw/zinc/00/28/16/336002816.db2.gz DLBQQEMWRDOHJQ-ZDUSSCGKSA-N 2 3 285.432 0.897 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CC[C@H](CC[NH3+])C2)CC1 ZINC000923482225 615100242 /nfs/dbraw/zinc/10/02/42/615100242.db2.gz PMZMCTGMHPXOET-ZDUSSCGKSA-N 2 3 282.432 0.258 20 0 CCADHP C[NH+](C)CCC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904378699 615887968 /nfs/dbraw/zinc/88/79/68/615887968.db2.gz IWXKMNAPNRKNHY-HZSPNIEDSA-N 2 3 255.406 0.766 20 0 CCADHP CN1CCN(CC[NH2+]CC2CC[NH+](C)CC2)CC1(C)C ZINC000894255134 616170431 /nfs/dbraw/zinc/17/04/31/616170431.db2.gz YDWBBWUULDDTHW-UHFFFAOYSA-N 2 3 282.476 0.944 20 0 CCADHP C[N@@H+]1CCCN(CCCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925607166 616185958 /nfs/dbraw/zinc/18/59/58/616185958.db2.gz ADQQYUFFOLWEAB-DMRKSPOLSA-N 2 3 292.471 0.600 20 0 CCADHP C[N@H+]1CCCN(CCCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925607166 616185959 /nfs/dbraw/zinc/18/59/59/616185959.db2.gz ADQQYUFFOLWEAB-DMRKSPOLSA-N 2 3 292.471 0.600 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716594 634628371 /nfs/dbraw/zinc/62/83/71/634628371.db2.gz PXMCYIMCERHGRW-YJNKXOJESA-N 2 3 267.417 0.814 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805671 634657121 /nfs/dbraw/zinc/65/71/21/634657121.db2.gz RGTHRYVCRSGIAA-YHUYYLMFSA-N 2 3 279.428 0.958 20 0 CCADHP NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805671 634657127 /nfs/dbraw/zinc/65/71/27/634657127.db2.gz RGTHRYVCRSGIAA-YHUYYLMFSA-N 2 3 279.428 0.958 20 0 CCADHP C[C@]1(CN2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000904300038 634723920 /nfs/dbraw/zinc/72/39/20/634723920.db2.gz UPVCBGWPSAMSQP-ZFWWWQNUSA-N 2 3 282.432 0.163 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000925722927 648457633 /nfs/dbraw/zinc/45/76/33/648457633.db2.gz LQWLYIWYZLCEAJ-ZUWCUPBKSA-N 2 3 265.401 0.613 20 0 CCADHP CCN(CC)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246099246 807152689 /nfs/dbraw/zinc/15/26/89/807152689.db2.gz SAZMZGBLOHEIOT-ZDUSSCGKSA-N 2 3 254.422 0.402 20 0 CCADHP CC[NH+](CC)C1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160478322 801949333 /nfs/dbraw/zinc/94/93/33/801949333.db2.gz QREPVKYKIKCARH-CYBMUJFWSA-N 2 3 270.421 0.385 20 0 CCADHP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160696360 802005312 /nfs/dbraw/zinc/00/53/12/802005312.db2.gz VIMQRYXIQDCKRM-KGLIPLIRSA-N 2 3 284.448 0.504 20 0 CCADHP CN(CCN(C)C(=O)[C@H]([NH3+])CCC[NH3+])Cc1ccccc1 ZINC001161158719 802104686 /nfs/dbraw/zinc/10/46/86/802104686.db2.gz NGHAAYOICKZSBZ-OAHLLOKOSA-N 2 3 292.427 0.643 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]12 ZINC001161412265 802147584 /nfs/dbraw/zinc/14/75/84/802147584.db2.gz IHPGXODSHJSRID-XJFOESAGSA-N 2 3 292.427 0.056 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]12 ZINC001161412265 802147586 /nfs/dbraw/zinc/14/75/86/802147586.db2.gz IHPGXODSHJSRID-XJFOESAGSA-N 2 3 292.427 0.056 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161489428 802162174 /nfs/dbraw/zinc/16/21/74/802162174.db2.gz NFIYHGNIWDQEKS-ZFWWWQNUSA-N 2 3 284.448 0.633 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219919111 804448165 /nfs/dbraw/zinc/44/81/65/804448165.db2.gz XXWBILNSNQZAFM-UKRRQHHQSA-N 2 3 282.432 0.034 20 0 CCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219980691 804465333 /nfs/dbraw/zinc/46/53/33/804465333.db2.gz NEUVNTTXSBYKLP-OLZOCXBDSA-N 2 3 270.421 0.291 20 0 CCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219980691 804465336 /nfs/dbraw/zinc/46/53/36/804465336.db2.gz NEUVNTTXSBYKLP-OLZOCXBDSA-N 2 3 270.421 0.291 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163531 804523425 /nfs/dbraw/zinc/52/34/25/804523425.db2.gz RGJGDWOEOWKHKL-YDHLFZDLSA-N 2 3 282.432 0.481 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@]1(C)CCCN(C)C1 ZINC001221241689 804755358 /nfs/dbraw/zinc/75/53/58/804755358.db2.gz XMPXBZXODUZFKK-GXTWGEPZSA-N 2 3 270.421 0.304 20 0 CCADHP C[C@H]1C[C@@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246141373 807165208 /nfs/dbraw/zinc/16/52/08/807165208.db2.gz KGIREKFRQUTVDX-PEDHHIEDSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@H]1C[C@@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246141373 807165211 /nfs/dbraw/zinc/16/52/11/807165211.db2.gz KGIREKFRQUTVDX-PEDHHIEDSA-N 2 3 253.390 0.341 20 0 CCADHP [NH3+]C[C@H]1CN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1(F)F ZINC001246562542 807291330 /nfs/dbraw/zinc/29/13/30/807291330.db2.gz UDLZRJVETWPYFZ-WHOHXGKFSA-N 2 3 259.344 0.900 20 0 CCADHP C[N@@H+]1CCC[C@@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001255480579 808383529 /nfs/dbraw/zinc/38/35/29/808383529.db2.gz XUJVAXMJASSBDY-CQSZACIVSA-N 2 3 254.422 0.437 20 0 CCADHP C[N@H+]1CCC[C@@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001255480579 808383538 /nfs/dbraw/zinc/38/35/38/808383538.db2.gz XUJVAXMJASSBDY-CQSZACIVSA-N 2 3 254.422 0.437 20 0 CCADHP N[C@@H](CCC[NH3+])Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001170900958 839549776 /nfs/dbraw/zinc/54/97/76/839549776.db2.gz RVWNJUBIICVPGI-CQSZACIVSA-N 2 3 263.389 0.532 20 0 CCADHP C(C[C@H]1CCCC[NH2+]1)N[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246241924 839736513 /nfs/dbraw/zinc/73/65/13/839736513.db2.gz CYZKDJHLYDPKAD-VXGBXAGGSA-N 2 3 255.431 0.956 20 0 CCADHP [NH3+]CCNCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246406827 839833887 /nfs/dbraw/zinc/83/38/87/839833887.db2.gz VDBCTODOHHYQQQ-LSDHHAIUSA-N 2 3 262.401 0.618 20 0 CCADHP C[C@@H]1C[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246979311 840671197 /nfs/dbraw/zinc/67/11/97/840671197.db2.gz YIJACEQRVQJKFC-SNPRPXQTSA-N 2 3 266.433 0.624 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000569576600 358775077 /nfs/dbraw/zinc/77/50/77/358775077.db2.gz CAUKNAUXBVPKBJ-KGLIPLIRSA-N 2 3 282.432 0.245 20 0 CCADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000569576600 358775078 /nfs/dbraw/zinc/77/50/78/358775078.db2.gz CAUKNAUXBVPKBJ-KGLIPLIRSA-N 2 3 282.432 0.245 20 0 CCADHP OCCNC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000631862774 370723381 /nfs/dbraw/zinc/72/33/81/370723381.db2.gz NVMKBCMTYAZKKL-CYBMUJFWSA-N 2 3 255.406 0.422 20 0 CCADHP CN(CCOCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000629581092 369725030 /nfs/dbraw/zinc/72/50/30/369725030.db2.gz NDTUFLLNPCDFII-UHFFFAOYSA-N 2 3 263.385 0.739 20 0 CCADHP [NH3+]CC1(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000634996847 372332560 /nfs/dbraw/zinc/33/25/60/372332560.db2.gz WZEJLBVXINXNQX-UONOGXRCSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000634996847 372332567 /nfs/dbraw/zinc/33/25/67/372332567.db2.gz WZEJLBVXINXNQX-UONOGXRCSA-N 2 3 267.417 0.944 20 0 CCADHP CN1CCC[C@H](C[N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000258879507 285153869 /nfs/dbraw/zinc/15/38/69/285153869.db2.gz HUWNBONRMOPDME-AWEZNQCLSA-N 2 3 254.422 0.165 20 0 CCADHP CN1CCC[C@H](C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000258879507 285153870 /nfs/dbraw/zinc/15/38/70/285153870.db2.gz HUWNBONRMOPDME-AWEZNQCLSA-N 2 3 254.422 0.165 20 0 CCADHP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423190183 389551037 /nfs/dbraw/zinc/55/10/37/389551037.db2.gz SCSSQZMIRXSKGL-KBPBESRZSA-N 2 3 254.422 0.402 20 0 CCADHP [NH3+]CCOCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000647992606 390242131 /nfs/dbraw/zinc/24/21/31/390242131.db2.gz RIIFVFBRNBPXFF-ZIAGYGMSSA-N 2 3 271.405 0.180 20 0 CCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652340938 412030799 /nfs/dbraw/zinc/03/07/99/412030799.db2.gz OADLMTVUKZDINP-KKUMJFAQSA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652340938 412030802 /nfs/dbraw/zinc/03/08/02/412030802.db2.gz OADLMTVUKZDINP-KKUMJFAQSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652340938 412030806 /nfs/dbraw/zinc/03/08/06/412030806.db2.gz OADLMTVUKZDINP-KKUMJFAQSA-N 2 3 269.433 0.668 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)C1 ZINC000652346281 412033672 /nfs/dbraw/zinc/03/36/72/412033672.db2.gz XTCAZJPONBTFIZ-XQLPTFJDSA-N 2 3 267.417 0.814 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662273519 414703836 /nfs/dbraw/zinc/70/38/36/414703836.db2.gz OAOLOUKDTPCRMX-CYBMUJFWSA-N 2 3 265.401 0.583 20 0 CCADHP CC[C@@H](NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[NH2+]1 ZINC000422973059 280186010 /nfs/dbraw/zinc/18/60/10/280186010.db2.gz BCDZRTVHEWXWLU-CABCVRRESA-N 2 3 269.433 0.811 20 0 CCADHP [NH3+]CCOCCN1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000357090707 295234909 /nfs/dbraw/zinc/23/49/09/295234909.db2.gz RTILTYPCDKXUJF-GJZGRUSLSA-N 2 3 263.385 0.636 20 0 CCADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000422982603 295255689 /nfs/dbraw/zinc/25/56/89/295255689.db2.gz XCCTXWMAJLAMLA-KKUMJFAQSA-N 2 3 269.433 0.940 20 0 CCADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000422982603 295255692 /nfs/dbraw/zinc/25/56/92/295255692.db2.gz XCCTXWMAJLAMLA-KKUMJFAQSA-N 2 3 269.433 0.940 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923428965 613224967 /nfs/dbraw/zinc/22/49/67/613224967.db2.gz UTKCTHWMICJDFB-GJZGRUSLSA-N 2 3 279.428 0.831 20 0 CCADHP CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369281 614704213 /nfs/dbraw/zinc/70/42/13/614704213.db2.gz JNTUGKRTXVHRHG-VXGBXAGGSA-N 2 3 253.390 0.343 20 0 CCADHP CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369281 614704214 /nfs/dbraw/zinc/70/42/14/614704214.db2.gz JNTUGKRTXVHRHG-VXGBXAGGSA-N 2 3 253.390 0.343 20 0 CCADHP CCN(CC)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022185 614989084 /nfs/dbraw/zinc/98/90/84/614989084.db2.gz XUAKMCNSMJWTIN-HUUCEWRRSA-N 2 3 298.475 0.526 20 0 CCADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849047970 615144878 /nfs/dbraw/zinc/14/48/78/615144878.db2.gz AZPGHUMLFDFWHH-MELADBBJSA-N 2 3 281.448 0.925 20 0 CCADHP COCC1(C[NH2+][C@@H]2CCNC23CCC3)CC[NH2+]CC1 ZINC000925700519 616774702 /nfs/dbraw/zinc/77/47/02/616774702.db2.gz QVRSLLVJQDOVLC-CYBMUJFWSA-N 2 3 267.417 0.877 20 0 CCADHP C[NH2+]CC1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903873468 616938661 /nfs/dbraw/zinc/93/86/61/616938661.db2.gz IJIMHRKLHBTNNA-OAHLLOKOSA-N 2 3 293.459 0.777 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925716511 616940552 /nfs/dbraw/zinc/94/05/52/616940552.db2.gz OAICQQSBQQHJFM-HIFRSBDPSA-N 2 3 296.459 0.707 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC12CC(C1)CN2 ZINC000925718684 625755530 /nfs/dbraw/zinc/75/55/30/625755530.db2.gz ZDWXRBVZMLROTM-GLFLQODNSA-N 2 3 251.374 0.080 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2NCC12CC(C1)C[NH2+]2 ZINC000925718684 625755533 /nfs/dbraw/zinc/75/55/33/625755533.db2.gz ZDWXRBVZMLROTM-GLFLQODNSA-N 2 3 251.374 0.080 20 0 CCADHP [NH3+]C[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713123 634632143 /nfs/dbraw/zinc/63/21/43/634632143.db2.gz FTUWOOAFMQGOFE-BFHYXJOUSA-N 2 3 253.390 0.426 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+]CC[C@H]2CC[NH2+]C2)cnn1C ZINC000903915728 634694487 /nfs/dbraw/zinc/69/44/87/634694487.db2.gz BQLRRMMEHFFDAS-KGLIPLIRSA-N 2 3 279.432 0.435 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)C2CC[NH2+]CC2)cnn1C ZINC000903937427 634694502 /nfs/dbraw/zinc/69/45/02/634694502.db2.gz KRXOJERVEHZLDK-JSGCOSHPSA-N 2 3 293.459 0.824 20 0 CCADHP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327447 801620897 /nfs/dbraw/zinc/62/08/97/801620897.db2.gz ICRIIXPZKHZOQG-RRFJBIMHSA-N 2 3 288.395 0.150 20 0 CCADHP CC[NH+](CC)C1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160484179 801948718 /nfs/dbraw/zinc/94/87/18/801948718.db2.gz ZPLGQFRGZYKEPK-CQSZACIVSA-N 2 3 294.443 0.128 20 0 CCADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC(C)(N(C)C)C1 ZINC001160645105 801987858 /nfs/dbraw/zinc/98/78/58/801987858.db2.gz MYOAEEDMWJHMNV-ZDUSSCGKSA-N 2 3 284.448 0.645 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161411839 802147794 /nfs/dbraw/zinc/14/77/94/802147794.db2.gz BJWPVPVPSZHMQA-XUXIUFHCSA-N 2 3 282.432 0.241 20 0 CCADHP CN(C)CCN(C(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447547 802155478 /nfs/dbraw/zinc/15/54/78/802155478.db2.gz XWXKLFLUFXNXNI-HIFRSBDPSA-N 2 3 282.432 0.271 20 0 CCADHP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H](N)C23CCC3)CC1 ZINC000405198874 803867328 /nfs/dbraw/zinc/86/73/28/803867328.db2.gz BUTMMEMPGWSQCH-NWDGAFQWSA-N 2 3 253.390 0.303 20 0 CCADHP C[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C[NH2+]1 ZINC001219585092 804360319 /nfs/dbraw/zinc/36/03/19/804360319.db2.gz UUPGRPZIGYPAIH-AVGNSLFASA-N 2 3 270.421 0.302 20 0 CCADHP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001219952054 804456540 /nfs/dbraw/zinc/45/65/40/804456540.db2.gz MTKYEKMMRGEYGJ-CQSZACIVSA-N 2 3 294.443 0.224 20 0 CCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220253959 804551635 /nfs/dbraw/zinc/55/16/35/804551635.db2.gz HMPAMJIFXRXDDP-LBPRGKRZSA-N 2 3 270.421 0.017 20 0 CCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220332830 804576352 /nfs/dbraw/zinc/57/63/52/804576352.db2.gz QBPRCESGSSNMCQ-UONOGXRCSA-N 2 3 294.443 0.032 20 0 CCADHP CCOC(=O)[C@@]12C[N@H+](CCCC[NH3+])C[C@@H]1CNCCC2 ZINC001222125431 804874231 /nfs/dbraw/zinc/87/42/31/804874231.db2.gz LPZCPQLIAMMHOF-ZFWWWQNUSA-N 2 3 283.416 0.590 20 0 CCADHP CCOC(=O)[C@@]12C[N@@H+](CCCC[NH3+])C[C@@H]1CNCCC2 ZINC001222125431 804874234 /nfs/dbraw/zinc/87/42/34/804874234.db2.gz LPZCPQLIAMMHOF-ZFWWWQNUSA-N 2 3 283.416 0.590 20 0 CCADHP CC[NH+](CC)C[C@@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245986912 807108073 /nfs/dbraw/zinc/10/80/73/807108073.db2.gz QWXMVBMMVUVTNT-CABCVRRESA-N 2 3 298.475 0.153 20 0 CCADHP C1CC([NH2+]C2CCC3(CC2)C[NH2+]CCO3)CCN1 ZINC001246077088 807144468 /nfs/dbraw/zinc/14/44/68/807144468.db2.gz GHJXKEUJHSVHPF-UHFFFAOYSA-N 2 3 253.390 0.629 20 0 CCADHP C[C@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246139617 807163567 /nfs/dbraw/zinc/16/35/67/807163567.db2.gz DKZCIGXFRWKRSY-BFHYXJOUSA-N 2 3 266.433 0.591 20 0 CCADHP C[C@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246139624 807163649 /nfs/dbraw/zinc/16/36/49/807163649.db2.gz DKZCIGXFRWKRSY-IHRRRGAJSA-N 2 3 266.433 0.591 20 0 CCADHP C1[NH2+]C[C@H]2OC[C@@H](NC3CCC4(CCC[NH2+]C4)CC3)[C@@H]12 ZINC001246137573 807163934 /nfs/dbraw/zinc/16/39/34/807163934.db2.gz IYZXQCJKAIFHPG-ZHGALXRWSA-N 2 3 279.428 0.875 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246147622 807167901 /nfs/dbraw/zinc/16/79/01/807167901.db2.gz YWHZYPPQIZCEBI-CBBWQLFWSA-N 2 3 283.416 0.112 20 0 CCADHP C[C@@H]1CC[C@H](N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246147674 807167944 /nfs/dbraw/zinc/16/79/44/807167944.db2.gz MBLCKIVQTZKQCW-MQYQWHSLSA-N 2 3 253.390 0.628 20 0 CCADHP CCOC(=O)C1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246321194 807220643 /nfs/dbraw/zinc/22/06/43/807220643.db2.gz VVDQRORQHDEGFA-STQMWFEESA-N 2 3 283.416 0.649 20 0 CCADHP CCOC(=O)C1(CN[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246321194 807220648 /nfs/dbraw/zinc/22/06/48/807220648.db2.gz VVDQRORQHDEGFA-STQMWFEESA-N 2 3 283.416 0.649 20 0 CCADHP [NH3+]CCc1cn([C@@H]2CCNC3(C[NH2+]C3)C2)c2ccncc12 ZINC001246357689 807232562 /nfs/dbraw/zinc/23/25/62/807232562.db2.gz ABMQWKCRHJYBAJ-CYBMUJFWSA-N 2 3 285.395 0.804 20 0 CCADHP C[NH+](C)C1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246418296 807248228 /nfs/dbraw/zinc/24/82/28/807248228.db2.gz QNRZPIRKYIIFCO-BPCQOVAHSA-N 2 3 270.421 0.432 20 0 CCADHP C[C@@H]1C[N@@H+]([C@H]2CCOC3(CNC3)C2)CCC[C@H]1C[NH3+] ZINC001246569102 807293784 /nfs/dbraw/zinc/29/37/84/807293784.db2.gz PXNDCAGZBCZSTL-RDBSUJKOSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1C[N@H+]([C@H]2CCOC3(CNC3)C2)CCC[C@H]1C[NH3+] ZINC001246569102 807293790 /nfs/dbraw/zinc/29/37/90/807293790.db2.gz PXNDCAGZBCZSTL-RDBSUJKOSA-N 2 3 267.417 0.814 20 0 CCADHP NC[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1O ZINC001246582962 807304242 /nfs/dbraw/zinc/30/42/42/807304242.db2.gz HVDCTLDIEZDQTN-RJZJGCCBSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1O ZINC001246582962 807304250 /nfs/dbraw/zinc/30/42/50/807304250.db2.gz HVDCTLDIEZDQTN-RJZJGCCBSA-N 2 3 253.390 0.160 20 0 CCADHP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583293 807305558 /nfs/dbraw/zinc/30/55/58/807305558.db2.gz JIJZCRVBLIXYNP-IHRRRGAJSA-N 2 3 257.422 0.748 20 0 CCADHP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583293 807305566 /nfs/dbraw/zinc/30/55/66/807305566.db2.gz JIJZCRVBLIXYNP-IHRRRGAJSA-N 2 3 257.422 0.748 20 0 CCADHP [NH3+][C@@H]1CCN(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246966864 807442287 /nfs/dbraw/zinc/44/22/87/807442287.db2.gz KXPRHCVRHFCERY-GODZRQRCSA-N 2 3 278.444 0.767 20 0 CCADHP CN(CC[NH3+])CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683818 808548194 /nfs/dbraw/zinc/54/81/94/808548194.db2.gz IEVAFSBCWZBAIT-UHFFFAOYSA-N 2 3 284.448 0.110 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)CCN1 ZINC001246154299 839650654 /nfs/dbraw/zinc/65/06/54/839650654.db2.gz ZYSJNIRWNLPFKO-ITGHMWBKSA-N 2 3 253.390 0.484 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC001333599658 919032706 /nfs/dbraw/zinc/03/27/06/919032706.db2.gz YAZNHRMDCIIHMQ-BZUAXINKSA-N 2 3 296.459 0.156 20 0 CCADHP [NH3+]CCOCCN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571087733 358911043 /nfs/dbraw/zinc/91/10/43/358911043.db2.gz HAJPVJQAAQVFSX-KGLIPLIRSA-N 2 3 271.405 0.180 20 0 CCADHP [NH3+]CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000414704163 389629119 /nfs/dbraw/zinc/62/91/19/389629119.db2.gz KKKRXSMNMHSXMI-UHFFFAOYSA-N 2 3 255.406 0.912 20 0 CCADHP CN1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793263 390173193 /nfs/dbraw/zinc/17/31/93/390173193.db2.gz QYDVQSRXMLQENL-IXDOHACOSA-N 2 3 294.487 0.992 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662273251 414703497 /nfs/dbraw/zinc/70/34/97/414703497.db2.gz NCJXYDBQTOQYED-STQMWFEESA-N 2 3 253.390 0.711 20 0 CCADHP CC[NH2+]CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662247331 414699188 /nfs/dbraw/zinc/69/91/88/414699188.db2.gz ZNBFBOZZBLOQJK-CQSZACIVSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@H]([NH2+]CCOCCN(C)C)C1CC[NH+](C)CC1 ZINC000219322397 544816818 /nfs/dbraw/zinc/81/68/18/544816818.db2.gz DFSNNNFCNMFNKU-ZDUSSCGKSA-N 2 3 257.422 0.885 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414889679 277716873 /nfs/dbraw/zinc/71/68/73/277716873.db2.gz UAFPIBJIUGTQTK-KKUMJFAQSA-N 2 3 266.433 0.402 20 0 CCADHP C(NC1CC[NH2+]CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293693 613221863 /nfs/dbraw/zinc/22/18/63/613221863.db2.gz NDDFHSRPMJWBAU-CYBMUJFWSA-N 2 3 253.390 0.487 20 0 CCADHP C([NH2+]C1CCNCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293693 613221865 /nfs/dbraw/zinc/22/18/65/613221865.db2.gz NDDFHSRPMJWBAU-CYBMUJFWSA-N 2 3 253.390 0.487 20 0 CCADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788855 613223159 /nfs/dbraw/zinc/22/31/59/613223159.db2.gz RIMXCTGDLWUSKC-RRFJBIMHSA-N 2 3 279.428 0.686 20 0 CCADHP CCC1([NH3+])CCN([C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)CC1 ZINC000925761095 614704807 /nfs/dbraw/zinc/70/48/07/614704807.db2.gz ULGBGAINNCPPCP-KPWCQOOUSA-N 2 3 267.417 0.942 20 0 CCADHP C[NH+](C)CCN1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925606366 615897553 /nfs/dbraw/zinc/89/75/53/615897553.db2.gz NLPPKWDMFJWNEQ-CQSZACIVSA-N 2 3 268.449 0.743 20 0 CCADHP CN(C)CC[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925606366 615897555 /nfs/dbraw/zinc/89/75/55/615897555.db2.gz NLPPKWDMFJWNEQ-CQSZACIVSA-N 2 3 268.449 0.743 20 0 CCADHP CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000903717442 616147640 /nfs/dbraw/zinc/14/76/40/616147640.db2.gz QKFFBGACAPSKJT-GXTWGEPZSA-N 2 3 255.406 0.672 20 0 CCADHP [NH3+]CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506919 634580406 /nfs/dbraw/zinc/58/04/06/634580406.db2.gz FMWMCWWBBKSVJQ-OKILXGFUSA-N 2 3 252.406 0.236 20 0 CCADHP [NH3+]CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506919 634580414 /nfs/dbraw/zinc/58/04/14/634580414.db2.gz FMWMCWWBBKSVJQ-OKILXGFUSA-N 2 3 252.406 0.236 20 0 CCADHP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903841160 634664090 /nfs/dbraw/zinc/66/40/90/634664090.db2.gz BLBZBKOJODTTSN-CYDGBPFRSA-N 2 3 251.374 0.319 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)C[NH2+]1 ZINC001246151057 807168478 /nfs/dbraw/zinc/16/84/78/807168478.db2.gz OFIIVIZXUJRMEX-HTOAHKCRSA-N 2 3 253.390 0.484 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160920 801578742 /nfs/dbraw/zinc/57/87/42/801578742.db2.gz LSALFPHGZPRLAK-GOEBONIOSA-N 2 3 296.459 0.790 20 0 CCADHP CCN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCC[NH2+]C1 ZINC001161333969 802131190 /nfs/dbraw/zinc/13/11/90/802131190.db2.gz YSQNTNVOZRFIBI-KGLIPLIRSA-N 2 3 294.443 0.461 20 0 CCADHP CCN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161333969 802131194 /nfs/dbraw/zinc/13/11/94/802131194.db2.gz YSQNTNVOZRFIBI-KGLIPLIRSA-N 2 3 294.443 0.461 20 0 CCADHP CN1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1 ZINC001221241299 811761198 /nfs/dbraw/zinc/76/11/98/811761198.db2.gz RXGCMAVLTGYSMJ-ZFWWWQNUSA-N 2 3 284.448 0.646 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@H+](CC[C@H]2CNCCO2)CC1 ZINC001206296254 803224687 /nfs/dbraw/zinc/22/46/87/803224687.db2.gz QVBLSOJBJFYPRU-KBPBESRZSA-N 2 3 255.406 0.816 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@@H+](CC[C@H]2CNCCO2)CC1 ZINC001206296254 803224689 /nfs/dbraw/zinc/22/46/89/803224689.db2.gz QVBLSOJBJFYPRU-KBPBESRZSA-N 2 3 255.406 0.816 20 0 CCADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CCC[NH3+] ZINC001220062025 804491226 /nfs/dbraw/zinc/49/12/26/804491226.db2.gz JROQADDFYRZEJY-CHWSQXEVSA-N 2 3 270.421 0.433 20 0 CCADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CCC[NH3+] ZINC001220062025 804491231 /nfs/dbraw/zinc/49/12/31/804491231.db2.gz JROQADDFYRZEJY-CHWSQXEVSA-N 2 3 270.421 0.433 20 0 CCADHP N[C@H](C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001220163007 804524059 /nfs/dbraw/zinc/52/40/59/804524059.db2.gz NMSCRSHTYYZXDQ-YCPHGPKFSA-N 2 3 294.443 0.352 20 0 CCADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220220939 804540342 /nfs/dbraw/zinc/54/03/42/804540342.db2.gz LFVHXYYXNJRTAX-ORIJERBGSA-N 2 3 294.443 0.175 20 0 CCADHP N[C@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221061048 804726371 /nfs/dbraw/zinc/72/63/71/804726371.db2.gz YMEHCWUSXPGFNZ-AWEZNQCLSA-N 2 3 294.374 0.444 20 0 CCADHP CN1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1 ZINC001221241297 804754101 /nfs/dbraw/zinc/75/41/01/804754101.db2.gz RXGCMAVLTGYSMJ-DZGCQCFKSA-N 2 3 284.448 0.646 20 0 CCADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221372767 804791089 /nfs/dbraw/zinc/79/10/89/804791089.db2.gz SHAYHTAUVIWCGR-LBPRGKRZSA-N 2 3 272.437 0.857 20 0 CCADHP C[C@@]1(C[NH3+])CCCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246022839 807122616 /nfs/dbraw/zinc/12/26/16/807122616.db2.gz PHNZSSIODBFYKS-GJZGRUSLSA-N 2 3 299.459 0.303 20 0 CCADHP C1[NH2+]CC12CCC([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)CC2 ZINC001246618065 807327065 /nfs/dbraw/zinc/32/70/65/807327065.db2.gz JQZQELCPLFIRGY-GJZGRUSLSA-N 2 3 278.444 0.544 20 0 CCADHP C1[NH2+]CC12CCC([N@H+]1CCN[C@H]3CCNCC[C@@H]31)CC2 ZINC001246618065 807327074 /nfs/dbraw/zinc/32/70/74/807327074.db2.gz JQZQELCPLFIRGY-GJZGRUSLSA-N 2 3 278.444 0.544 20 0 CCADHP NC1([C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CF)CC1 ZINC001246695989 807359393 /nfs/dbraw/zinc/35/93/93/807359393.db2.gz UNCRHMAAQLKWIM-JHJVBQTASA-N 2 3 282.407 0.089 20 0 CCADHP NC1([C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CF)CC1 ZINC001246695989 807359403 /nfs/dbraw/zinc/35/94/03/807359403.db2.gz UNCRHMAAQLKWIM-JHJVBQTASA-N 2 3 282.407 0.089 20 0 CCADHP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2[C@H]1CCC[NH2+]C1 ZINC001246744535 807371576 /nfs/dbraw/zinc/37/15/76/807371576.db2.gz CBEKOLLSVMLFBU-SOUVJXGZSA-N 2 3 266.433 0.449 20 0 CCADHP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2[C@H]1CCC[NH2+]C1 ZINC001246744535 807371583 /nfs/dbraw/zinc/37/15/83/807371583.db2.gz CBEKOLLSVMLFBU-SOUVJXGZSA-N 2 3 266.433 0.449 20 0 CCADHP [NH3+]C1CCN([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246974995 807444363 /nfs/dbraw/zinc/44/43/63/807444363.db2.gz LTQNIIKQFXZBED-IUOOZAAYSA-N 2 3 278.444 0.767 20 0 CCADHP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(n1)OCCNC2 ZINC001167877572 812374511 /nfs/dbraw/zinc/37/45/11/812374511.db2.gz FITFJLHVUFJQDI-UHFFFAOYSA-N 2 3 278.360 0.239 20 0 CCADHP C[C@@H]1CC[C@@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1 ZINC001246089121 839603411 /nfs/dbraw/zinc/60/34/11/839603411.db2.gz OPJLEMLZHOZDBZ-ZIAGYGMSSA-N 2 3 254.422 0.402 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)CCN1 ZINC001246236739 839726694 /nfs/dbraw/zinc/72/66/94/839726694.db2.gz YTNNLSWGWXLQMW-TZMCWYRMSA-N 2 3 255.406 0.421 20 0 CCADHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629531186 369691709 /nfs/dbraw/zinc/69/17/09/369691709.db2.gz CYKNTHZTWDWCPJ-BFHYXJOUSA-N 2 3 255.406 0.733 20 0 CCADHP [NH3+]CCOCCN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571087734 291790764 /nfs/dbraw/zinc/79/07/64/291790764.db2.gz HAJPVJQAAQVFSX-UONOGXRCSA-N 2 3 271.405 0.180 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580839232 390248668 /nfs/dbraw/zinc/24/86/68/390248668.db2.gz OHYFTZOYDRACHX-KGLIPLIRSA-N 2 3 255.406 0.421 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300098521 285374030 /nfs/dbraw/zinc/37/40/30/285374030.db2.gz JTBIPSKKGWTLIF-MELADBBJSA-N 2 3 255.406 0.957 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300098521 285374031 /nfs/dbraw/zinc/37/40/31/285374031.db2.gz JTBIPSKKGWTLIF-MELADBBJSA-N 2 3 255.406 0.957 20 0 CCADHP CCO[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000652356600 412036497 /nfs/dbraw/zinc/03/64/97/412036497.db2.gz WCYKIBCXOZBOME-MGPQQGTHSA-N 2 3 255.406 0.672 20 0 CCADHP CCO[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000652356600 412036498 /nfs/dbraw/zinc/03/64/98/412036498.db2.gz WCYKIBCXOZBOME-MGPQQGTHSA-N 2 3 255.406 0.672 20 0 CCADHP CCO[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356600 412036502 /nfs/dbraw/zinc/03/65/02/412036502.db2.gz WCYKIBCXOZBOME-MGPQQGTHSA-N 2 3 255.406 0.672 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000663507157 415080222 /nfs/dbraw/zinc/08/02/22/415080222.db2.gz ZACHPZWEBDKHIR-UKRRQHHQSA-N 2 3 296.459 0.565 20 0 CCADHP CCC1([NH3+])CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000903949120 614703970 /nfs/dbraw/zinc/70/39/70/614703970.db2.gz YNTOPMPDOGBXHC-CYBMUJFWSA-N 2 3 282.432 0.387 20 0 CCADHP CN(CCOCC[NH3+])Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211748 616115663 /nfs/dbraw/zinc/11/56/63/616115663.db2.gz APSSAVJOURCRHF-UHFFFAOYSA-N 2 3 269.414 0.801 20 0 CCADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713517 634633529 /nfs/dbraw/zinc/63/35/29/634633529.db2.gz UHTYSLIBZIENRG-KBPBESRZSA-N 2 3 282.432 0.163 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903750261 634636275 /nfs/dbraw/zinc/63/62/75/634636275.db2.gz WEVWEISQKPCQHE-ZNMIVQPWSA-N 2 3 267.417 0.958 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000923363915 640101787 /nfs/dbraw/zinc/10/17/87/640101787.db2.gz DZBIFAAFZHKLKA-XUXIUFHCSA-N 2 3 253.390 0.301 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848333 648466098 /nfs/dbraw/zinc/46/60/98/648466098.db2.gz FWTBKEDYZYPRKC-MCIONIFRSA-N 2 3 295.427 0.649 20 0 CCADHP [NH3+]CCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206476 806384907 /nfs/dbraw/zinc/38/49/07/806384907.db2.gz UOKXMWRHWHEDDF-UHFFFAOYSA-N 2 3 295.431 0.199 20 0 CCADHP FC(F)(F)[C@@]1(CN[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246108620 807155021 /nfs/dbraw/zinc/15/50/21/807155021.db2.gz CRWKMZZWDHSHTR-MNOVXSKESA-N 2 3 292.349 0.212 20 0 CCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161048970 802075972 /nfs/dbraw/zinc/07/59/72/802075972.db2.gz BXRSCZYEXJQSJD-OLZOCXBDSA-N 2 3 270.421 0.384 20 0 CCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161048970 802075974 /nfs/dbraw/zinc/07/59/74/802075974.db2.gz BXRSCZYEXJQSJD-OLZOCXBDSA-N 2 3 270.421 0.384 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219534457 804337671 /nfs/dbraw/zinc/33/76/71/804337671.db2.gz YJHNFNCNPIPZRF-OUJBWJOFSA-N 2 3 290.367 0.139 20 0 CCADHP CN[C@@H](CC(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103476 804501763 /nfs/dbraw/zinc/50/17/63/804501763.db2.gz SSRMKRDPUPDZNE-JTQLQIEISA-N 2 3 257.382 0.081 20 0 CCADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCC[NH3+] ZINC001220221264 804542766 /nfs/dbraw/zinc/54/27/66/804542766.db2.gz XJWNZHXQBQNEHG-SRVKXCTJSA-N 2 3 256.394 0.042 20 0 CCADHP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220884836 804689540 /nfs/dbraw/zinc/68/95/40/804689540.db2.gz OQIVJYWFEIQNGO-ZIAGYGMSSA-N 2 3 294.443 0.319 20 0 CCADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406259 804807552 /nfs/dbraw/zinc/80/75/52/804807552.db2.gz DYPCZUUCMIFQEY-YUELXQCFSA-N 2 3 296.459 0.548 20 0 CCADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)[C@H](C)C1 ZINC001221406259 804807558 /nfs/dbraw/zinc/80/75/58/804807558.db2.gz DYPCZUUCMIFQEY-YUELXQCFSA-N 2 3 296.459 0.548 20 0 CCADHP C[C@@H]1C[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246132652 807162404 /nfs/dbraw/zinc/16/24/04/807162404.db2.gz MJBGAXWBLIDEOP-UPJWGTAASA-N 2 3 253.390 0.628 20 0 CCADHP C1C[NH2+]C[C@H](N[C@H]2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001246255651 807198928 /nfs/dbraw/zinc/19/89/28/807198928.db2.gz LKDBALHBFZQXFM-QWHCGFSZSA-N 2 3 253.390 0.629 20 0 CCADHP C1[NH2+]CC12C[C@H](N1CCC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246624838 807331681 /nfs/dbraw/zinc/33/16/81/807331681.db2.gz CRMJBFAFABWMKG-KGLIPLIRSA-N 2 3 264.417 0.156 20 0 CCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3CCNCC3)C[C@H]1C2 ZINC001246860662 807412447 /nfs/dbraw/zinc/41/24/47/807412447.db2.gz VZQOXFHDLYMLFI-UJDVCPFMSA-N 2 3 293.411 0.069 20 0 CCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3CCNCC3)C[C@H]1C2 ZINC001246860662 807412450 /nfs/dbraw/zinc/41/24/50/807412450.db2.gz VZQOXFHDLYMLFI-UJDVCPFMSA-N 2 3 293.411 0.069 20 0 CCADHP [NH3+]C1CCN(C2CCN([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001246970287 807443502 /nfs/dbraw/zinc/44/35/02/807443502.db2.gz TZVSOYMJQCMVDO-OAHLLOKOSA-N 2 3 266.433 0.626 20 0 CCADHP C[N@@H+]1CC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001255442069 808375021 /nfs/dbraw/zinc/37/50/21/808375021.db2.gz SKHALBXDJXTZLQ-MRXNPFEDSA-N 2 3 280.460 0.650 20 0 CCADHP C[N@H+]1CC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001255442069 808375034 /nfs/dbraw/zinc/37/50/34/808375034.db2.gz SKHALBXDJXTZLQ-MRXNPFEDSA-N 2 3 280.460 0.650 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246577236 840095124 /nfs/dbraw/zinc/09/51/24/840095124.db2.gz NUSIQBNMLUAYIS-UONOGXRCSA-N 2 3 267.417 0.958 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246577236 840095129 /nfs/dbraw/zinc/09/51/29/840095129.db2.gz NUSIQBNMLUAYIS-UONOGXRCSA-N 2 3 267.417 0.958 20 0 CCADHP NC[C@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580318 840114544 /nfs/dbraw/zinc/11/45/44/840114544.db2.gz MVYCXSOIQHRQGP-RFQIPJPRSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1O ZINC001246580318 840114548 /nfs/dbraw/zinc/11/45/48/840114548.db2.gz MVYCXSOIQHRQGP-RFQIPJPRSA-N 2 3 253.390 0.160 20 0 CCADHP C1C[C@]2(C[NH2+]1)CN([C@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246642520 840222723 /nfs/dbraw/zinc/22/27/23/840222723.db2.gz MBYGCHMLILTUQA-HOCLYGCPSA-N 2 3 278.444 0.546 20 0 CCADHP C[C@@H]1CC[N@H+](CC[C@@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC001205602742 845868739 /nfs/dbraw/zinc/86/87/39/845868739.db2.gz LZGQCVDAXMNXMT-HZSPNIEDSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC001205602742 845868751 /nfs/dbraw/zinc/86/87/51/845868751.db2.gz LZGQCVDAXMNXMT-HZSPNIEDSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569578247 358774740 /nfs/dbraw/zinc/77/47/40/358774740.db2.gz LLEXBDCSPYYLFC-KBPBESRZSA-N 2 3 299.463 0.119 20 0 CCADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)[N-]C(=N)SCC[NH3+] ZINC001220106325 804500269 /nfs/dbraw/zinc/50/02/69/804500269.db2.gz JNPVKBROSLMBEE-JTQLQIEISA-N 2 3 289.449 0.225 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000234807544 285373987 /nfs/dbraw/zinc/37/39/87/285373987.db2.gz JTBIPSKKGWTLIF-MJBXVCDLSA-N 2 3 255.406 0.957 20 0 CCADHP COC[C@H](CCC[NH3+])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000234807544 285373988 /nfs/dbraw/zinc/37/39/88/285373988.db2.gz JTBIPSKKGWTLIF-MJBXVCDLSA-N 2 3 255.406 0.957 20 0 CCADHP C[C@H]1CNC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548157 390839773 /nfs/dbraw/zinc/83/97/73/390839773.db2.gz WYSHJVBQZNJJDT-CIDNJEQPSA-N 2 3 280.460 0.790 20 0 CCADHP C[C@H]1CNC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548157 390839775 /nfs/dbraw/zinc/83/97/75/390839775.db2.gz WYSHJVBQZNJJDT-CIDNJEQPSA-N 2 3 280.460 0.790 20 0 CCADHP [NH3+]CCOCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243676 285582399 /nfs/dbraw/zinc/58/23/99/285582399.db2.gz YWZDFEHGOABIGA-AWEZNQCLSA-N 2 3 271.405 0.052 20 0 CCADHP C[NH2+]CCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349207 412034366 /nfs/dbraw/zinc/03/43/66/412034366.db2.gz FRJHKRKGONNLOJ-IHRRRGAJSA-N 2 3 255.406 0.814 20 0 CCADHP C[C@@H](N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000037825470 173781268 /nfs/dbraw/zinc/78/12/68/173781268.db2.gz QCXVIAZOWZNSHY-GFCCVEGCSA-N 2 3 258.410 0.066 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582611089 329116368 /nfs/dbraw/zinc/11/63/68/329116368.db2.gz LUAPDNPZDAIUBI-ZIAGYGMSSA-N 2 3 255.406 0.278 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000925813380 616413999 /nfs/dbraw/zinc/41/39/99/616413999.db2.gz UQMKRSBVNRCQSC-JYJNAYRXSA-N 2 3 280.460 0.872 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000925813380 616414000 /nfs/dbraw/zinc/41/40/00/616414000.db2.gz UQMKRSBVNRCQSC-JYJNAYRXSA-N 2 3 280.460 0.872 20 0 CCADHP C[NH2+]C[C@@](C)(O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793843 616987607 /nfs/dbraw/zinc/98/76/07/616987607.db2.gz VRWTUJXVOCYYSZ-MRXNPFEDSA-N 2 3 291.439 0.949 20 0 CCADHP C[C@](C[NH3+])(NC[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903718091 634629378 /nfs/dbraw/zinc/62/93/78/634629378.db2.gz ZPHPFIDKKIRKDZ-MCIONIFRSA-N 2 3 253.390 0.472 20 0 CCADHP [NH3+]C[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903717087 634629564 /nfs/dbraw/zinc/62/95/64/634629564.db2.gz ZLOLQAJGXBYWDN-QWHCGFSZSA-N 2 3 253.390 0.426 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903744587 634640013 /nfs/dbraw/zinc/64/00/13/634640013.db2.gz VJLWBXIHNANRBS-REWJHTLYSA-N 2 3 253.390 0.424 20 0 CCADHP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903762852 634641519 /nfs/dbraw/zinc/64/15/19/634641519.db2.gz FKSRLJDGGPRSHB-JONQDZQNSA-N 2 3 279.428 0.816 20 0 CCADHP [NH3+]CCCCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843385813 643043473 /nfs/dbraw/zinc/04/34/73/643043473.db2.gz SIHKFWCGZKJHAC-HNNXBMFYSA-N 2 3 268.449 0.875 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848335 648466545 /nfs/dbraw/zinc/46/65/45/648466545.db2.gz FWTBKEDYZYPRKC-RDBSUJKOSA-N 2 3 295.427 0.649 20 0 CCADHP C[C@@H]1CC[C@@H](NCC[C@@H]2CCOC23C[NH2+]C3)C[NH2+]1 ZINC001246139918 807164216 /nfs/dbraw/zinc/16/42/16/807164216.db2.gz YBTQOBKLXPRCIL-JHJVBQTASA-N 2 3 253.390 0.485 20 0 CCADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157844918 801499593 /nfs/dbraw/zinc/49/95/93/801499593.db2.gz YMQFXTDIPZWUKD-HZSPNIEDSA-N 2 3 294.443 0.446 20 0 CCADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157844918 801499597 /nfs/dbraw/zinc/49/95/97/801499597.db2.gz YMQFXTDIPZWUKD-HZSPNIEDSA-N 2 3 294.443 0.446 20 0 CCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)CCN1CCCC1 ZINC001160688040 802001493 /nfs/dbraw/zinc/00/14/93/802001493.db2.gz MDKMCWLCYHSCNA-ZDUSSCGKSA-N 2 3 270.421 0.258 20 0 CCADHP C[NH+](C)CCN(C(=O)[C@H](N)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001161446165 802155744 /nfs/dbraw/zinc/15/57/44/802155744.db2.gz QRZYPVAKDZROML-STQMWFEESA-N 2 3 284.448 0.502 20 0 CCADHP CN(C)CCN1CC[N@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207438999 803401599 /nfs/dbraw/zinc/40/15/99/803401599.db2.gz HHAZBRXAEMBIGZ-UHFFFAOYSA-N 2 3 282.432 0.082 20 0 CCADHP CN(C)CCN1CC[N@@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207438999 803401603 /nfs/dbraw/zinc/40/16/03/803401603.db2.gz HHAZBRXAEMBIGZ-UHFFFAOYSA-N 2 3 282.432 0.082 20 0 CCADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218898259 804150866 /nfs/dbraw/zinc/15/08/66/804150866.db2.gz LVDCGVYTHHJFJK-CYBMUJFWSA-N 2 3 278.400 0.928 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219534455 804338210 /nfs/dbraw/zinc/33/82/10/804338210.db2.gz YJHNFNCNPIPZRF-KWBADKCTSA-N 2 3 290.367 0.139 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219640853 804386766 /nfs/dbraw/zinc/38/67/66/804386766.db2.gz CJWIGIGTUCEGFM-MJBXVCDLSA-N 2 3 294.443 0.222 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219640853 804386772 /nfs/dbraw/zinc/38/67/72/804386772.db2.gz CJWIGIGTUCEGFM-MJBXVCDLSA-N 2 3 294.443 0.222 20 0 CCADHP N[C@H](C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001220163005 804524217 /nfs/dbraw/zinc/52/42/17/804524217.db2.gz NMSCRSHTYYZXDQ-IJEWVQPXSA-N 2 3 294.443 0.352 20 0 CCADHP C[NH+]1C(C)(C)CC(NC(=O)[C@@H](N)CCC[NH3+])CC1(C)C ZINC001220508897 804617014 /nfs/dbraw/zinc/61/70/14/804617014.db2.gz BYRVPNGJAKBZLE-LBPRGKRZSA-N 2 3 284.448 0.820 20 0 CCADHP C[C@H](CNC(=O)[C@@H](N)CCC[NH3+])CC(C)(C)CC[NH3+] ZINC001220763536 804661771 /nfs/dbraw/zinc/66/17/71/804661771.db2.gz FSHGAYYBGSVQFV-RYUDHWBXSA-N 2 3 272.437 0.570 20 0 CCADHP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220884835 804689585 /nfs/dbraw/zinc/68/95/85/804689585.db2.gz OQIVJYWFEIQNGO-UONOGXRCSA-N 2 3 294.443 0.319 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220890462 804692489 /nfs/dbraw/zinc/69/24/89/804692489.db2.gz WWKKVICYHAHTSV-OLZOCXBDSA-N 2 3 270.421 0.350 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221239250 804753789 /nfs/dbraw/zinc/75/37/89/804753789.db2.gz KQKLAHCJOTWKLK-GMXVVIOVSA-N 2 3 256.394 0.042 20 0 CCADHP C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CC[NH2+]CC1 ZINC001246114350 807157315 /nfs/dbraw/zinc/15/73/15/807157315.db2.gz LMFLAMYCTSOFNW-PBWFPOADSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246138768 807163862 /nfs/dbraw/zinc/16/38/62/807163862.db2.gz OOXZGPLWEYVDOF-HIFRSBDPSA-N 2 3 280.460 0.933 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246144109 807166095 /nfs/dbraw/zinc/16/60/95/807166095.db2.gz BOOWOCIYHXWLHE-LEOABGAYSA-N 2 3 279.428 0.733 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001246146642 807167565 /nfs/dbraw/zinc/16/75/65/807167565.db2.gz HHVSTBZSVXRDHS-RGDJUOJXSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CCN1 ZINC001246146642 807167571 /nfs/dbraw/zinc/16/75/71/807167571.db2.gz HHVSTBZSVXRDHS-RGDJUOJXSA-N 2 3 253.390 0.341 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246420746 807249708 /nfs/dbraw/zinc/24/97/08/807249708.db2.gz ZZJCATRZAVXOAY-OLZOCXBDSA-N 2 3 282.432 0.481 20 0 CCADHP C(C1CCC1)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246446075 807252379 /nfs/dbraw/zinc/25/23/79/807252379.db2.gz KOHNBYVKEJDEMS-HNNXBMFYSA-N 2 3 292.471 0.982 20 0 CCADHP C[NH+](C)C1CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246619610 807328367 /nfs/dbraw/zinc/32/83/67/807328367.db2.gz SODOWISGHKKSAE-CKUJCDMFSA-N 2 3 280.460 0.885 20 0 CCADHP C[NH+](C)C1CCC([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246619610 807328375 /nfs/dbraw/zinc/32/83/75/807328375.db2.gz SODOWISGHKKSAE-CKUJCDMFSA-N 2 3 280.460 0.885 20 0 CCADHP C[NH+](C)C1CCC([N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246619610 807328382 /nfs/dbraw/zinc/32/83/82/807328382.db2.gz SODOWISGHKKSAE-CKUJCDMFSA-N 2 3 280.460 0.885 20 0 CCADHP CN1CCC(NC(=[NH2+])SCCSC(N)=[NH2+])CC1 ZINC001256197573 808475436 /nfs/dbraw/zinc/47/54/36/808475436.db2.gz LCOJGMQSAGTZDJ-UHFFFAOYSA-N 2 3 275.447 0.965 20 0 CCADHP CN(C)CCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444170 811602909 /nfs/dbraw/zinc/60/29/09/811602909.db2.gz DFCRBGKPSUZROF-LSDHHAIUSA-N 2 3 296.459 0.518 20 0 CCADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157844927 837493433 /nfs/dbraw/zinc/49/34/33/837493433.db2.gz YSSHYUDYOYGWGP-MCIONIFRSA-N 2 3 284.448 0.631 20 0 CCADHP N[C@H](CCC[NH3+])Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001170900957 839549432 /nfs/dbraw/zinc/54/94/32/839549432.db2.gz RVWNJUBIICVPGI-AWEZNQCLSA-N 2 3 263.389 0.532 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544183 839955716 /nfs/dbraw/zinc/95/57/16/839955716.db2.gz PIOBLHDABXZODX-YJNKXOJESA-N 2 3 267.417 0.835 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246544183 839955720 /nfs/dbraw/zinc/95/57/20/839955720.db2.gz PIOBLHDABXZODX-YJNKXOJESA-N 2 3 267.417 0.835 20 0 CCADHP C1C[C@@]2(C[NH2+]1)CN([C@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246642518 840223032 /nfs/dbraw/zinc/22/30/32/840223032.db2.gz MBYGCHMLILTUQA-GOEBONIOSA-N 2 3 278.444 0.546 20 0 CCADHP CN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060739 840686271 /nfs/dbraw/zinc/68/62/71/840686271.db2.gz CSJJPBXRRQPPEV-RWMBFGLXSA-N 2 3 268.405 0.042 20 0 CCADHP C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000607150991 363343211 /nfs/dbraw/zinc/34/32/11/363343211.db2.gz YPRXLBVZWBTLMO-FPCVCCKLSA-N 2 3 278.444 0.069 20 0 CCADHP C[NH2+]CC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000566226178 291378930 /nfs/dbraw/zinc/37/89/30/291378930.db2.gz JFNZTEXCQIBTEE-CQSZACIVSA-N 2 3 282.432 0.115 20 0 CCADHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629531189 369692004 /nfs/dbraw/zinc/69/20/04/369692004.db2.gz CYKNTHZTWDWCPJ-MJBXVCDLSA-N 2 3 255.406 0.733 20 0 CCADHP C[C@H]1C[C@@H](CN2CCC([NH2+]CCO)CC2)CC[NH2+]1 ZINC000635001776 372337659 /nfs/dbraw/zinc/33/76/59/372337659.db2.gz CIZNIKQZKBMVCZ-STQMWFEESA-N 2 3 255.406 0.421 20 0 CCADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006454 372340518 /nfs/dbraw/zinc/34/05/18/372340518.db2.gz RGUOIAYRFYCQMB-PEDHHIEDSA-N 2 3 255.406 0.846 20 0 CCADHP [NH3+][C@H]1CCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635011157 372342310 /nfs/dbraw/zinc/34/23/10/372342310.db2.gz MPOILPNEMJXJJI-STQMWFEESA-N 2 3 261.373 0.783 20 0 CCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C ZINC000418317893 285277407 /nfs/dbraw/zinc/27/74/07/285277407.db2.gz NOYHHVGRCQNICD-AWEZNQCLSA-N 2 3 299.463 0.263 20 0 CCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C ZINC000418317893 285277411 /nfs/dbraw/zinc/27/74/11/285277411.db2.gz NOYHHVGRCQNICD-AWEZNQCLSA-N 2 3 299.463 0.263 20 0 CCADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCNC2)CC[NH2+]CC1 ZINC000423213572 389554392 /nfs/dbraw/zinc/55/43/92/389554392.db2.gz NPCJKCPJCQNHRW-KBPBESRZSA-N 2 3 297.443 0.897 20 0 CCADHP CCOC(=O)C1([C@H](C)NC[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423213572 389554395 /nfs/dbraw/zinc/55/43/95/389554395.db2.gz NPCJKCPJCQNHRW-KBPBESRZSA-N 2 3 297.443 0.897 20 0 CCADHP CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414658685 389624706 /nfs/dbraw/zinc/62/47/06/389624706.db2.gz QZNVGTHQGIICJU-OLZOCXBDSA-N 2 3 270.421 0.147 20 0 CCADHP CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414658685 389624708 /nfs/dbraw/zinc/62/47/08/389624708.db2.gz QZNVGTHQGIICJU-OLZOCXBDSA-N 2 3 270.421 0.147 20 0 CCADHP COC[C@]1(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000647547002 390839081 /nfs/dbraw/zinc/83/90/81/390839081.db2.gz KCZIJWNKSAPRAX-KBUPBQIOSA-N 2 3 267.417 0.733 20 0 CCADHP CC(C)(N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707238 397746848 /nfs/dbraw/zinc/74/68/48/397746848.db2.gz BNZQZCHFNABLLM-AVGNSLFASA-N 2 3 255.406 0.942 20 0 CCADHP CC(C)(N)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707238 397746852 /nfs/dbraw/zinc/74/68/52/397746852.db2.gz BNZQZCHFNABLLM-AVGNSLFASA-N 2 3 255.406 0.942 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240885 412017296 /nfs/dbraw/zinc/01/72/96/412017296.db2.gz PIXNFINXDASUOK-UHFFFAOYSA-N 2 3 299.463 0.250 20 0 CCADHP [NH3+]CC[C@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662273245 414703494 /nfs/dbraw/zinc/70/34/94/414703494.db2.gz NCJXYDBQTOQYED-CHWSQXEVSA-N 2 3 253.390 0.711 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662275033 414704081 /nfs/dbraw/zinc/70/40/81/414704081.db2.gz PYZBXZCNNNZTFS-GJZGRUSLSA-N 2 3 279.428 0.971 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662275032 414704265 /nfs/dbraw/zinc/70/42/65/414704265.db2.gz PYZBXZCNNNZTFS-CABCVRRESA-N 2 3 279.428 0.971 20 0 CCADHP C[NH2+]CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662245645 414698790 /nfs/dbraw/zinc/69/87/90/414698790.db2.gz MNJLBJBOLQALAB-CYBMUJFWSA-N 2 3 253.390 0.439 20 0 CCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782403 614854206 /nfs/dbraw/zinc/85/42/06/614854206.db2.gz MKLXVEXWQMVJQQ-OPDFLTKYSA-N 2 3 253.390 0.470 20 0 CCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782403 614854209 /nfs/dbraw/zinc/85/42/09/614854209.db2.gz MKLXVEXWQMVJQQ-OPDFLTKYSA-N 2 3 253.390 0.470 20 0 CCADHP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[NH2+]CC1 ZINC000923333983 616133778 /nfs/dbraw/zinc/13/37/78/616133778.db2.gz DTDYINGTIGGMLJ-STQMWFEESA-N 2 3 253.390 0.439 20 0 CCADHP CN(C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000903717446 616163398 /nfs/dbraw/zinc/16/33/98/616163398.db2.gz QKFFBGACAPSKJT-OCCSQVGLSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851371 631399887 /nfs/dbraw/zinc/39/98/87/631399887.db2.gz YETRAWSTZDBIIX-YNEHKIRRSA-N 2 3 281.400 0.402 20 0 CCADHP C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](CN)C1 ZINC000923388388 640118930 /nfs/dbraw/zinc/11/89/30/640118930.db2.gz JHOKBZXSDJOBFL-FRRDWIJNSA-N 2 3 253.390 0.424 20 0 CCADHP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](CN)C1 ZINC000923388388 640118936 /nfs/dbraw/zinc/11/89/36/640118936.db2.gz JHOKBZXSDJOBFL-FRRDWIJNSA-N 2 3 253.390 0.424 20 0 CCADHP C[C@H]1C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923497257 640167711 /nfs/dbraw/zinc/16/77/11/640167711.db2.gz DLFXTZXBVGTCTM-HJWJTTGWSA-N 2 3 291.439 0.834 20 0 CCADHP C[C@H]1C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923497257 640167716 /nfs/dbraw/zinc/16/77/16/640167716.db2.gz DLFXTZXBVGTCTM-HJWJTTGWSA-N 2 3 291.439 0.834 20 0 CCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000925717952 648456519 /nfs/dbraw/zinc/45/65/19/648456519.db2.gz JFXNJGCYZYWCSX-HPFPLBLASA-N 2 3 290.415 0.418 20 0 CCADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCC([NH3+])CC1 ZINC000925817399 648464010 /nfs/dbraw/zinc/46/40/10/648464010.db2.gz RHKUJLLQMCELHS-WMLDXEAASA-N 2 3 290.455 0.958 20 0 CCADHP C[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)[C@@H]1CC[NH3+] ZINC000404302931 791689494 /nfs/dbraw/zinc/68/94/94/791689494.db2.gz QKDVFGNWKSTEAR-RBSFLKMASA-N 2 3 269.433 0.892 20 0 CCADHP C[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2)[C@@H]1CC[NH3+] ZINC000404302931 791689498 /nfs/dbraw/zinc/68/94/98/791689498.db2.gz QKDVFGNWKSTEAR-RBSFLKMASA-N 2 3 269.433 0.892 20 0 CCADHP C[C@]1([NH3+])CCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246023015 807122505 /nfs/dbraw/zinc/12/25/05/807122505.db2.gz RPIVWZZLLCYRMA-KGLIPLIRSA-N 2 3 285.432 0.055 20 0 CCADHP C[NH2+]CCCC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161442652 802154230 /nfs/dbraw/zinc/15/42/30/802154230.db2.gz DLDFJAQGQCOVAQ-CYBMUJFWSA-N 2 3 270.421 0.128 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589149 804361459 /nfs/dbraw/zinc/36/14/59/804361459.db2.gz LZIQHHYBTQWFLA-IHRRRGAJSA-N 2 3 284.448 0.739 20 0 CCADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220061839 804490197 /nfs/dbraw/zinc/49/01/97/804490197.db2.gz DSMMOWAQOIUFIR-KBPBESRZSA-N 2 3 284.448 0.823 20 0 CCADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220061839 804490200 /nfs/dbraw/zinc/49/02/00/804490200.db2.gz DSMMOWAQOIUFIR-KBPBESRZSA-N 2 3 284.448 0.823 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NC(C)(C)CC[NH+](C)C ZINC001220386068 804591071 /nfs/dbraw/zinc/59/10/71/804591071.db2.gz IPNUGUACWWHESP-ZDUSSCGKSA-N 2 3 286.464 0.892 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220890463 804692369 /nfs/dbraw/zinc/69/23/69/804692369.db2.gz WWKKVICYHAHTSV-STQMWFEESA-N 2 3 270.421 0.350 20 0 CCADHP O[C@@]1(C[NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNC[C@@H]1F ZINC001246078334 807143708 /nfs/dbraw/zinc/14/37/08/807143708.db2.gz AKEOQUMBCXXROV-KCQAQPDRSA-N 2 3 285.407 0.561 20 0 CCADHP CCN(CC)CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246099245 807152737 /nfs/dbraw/zinc/15/27/37/807152737.db2.gz SAZMZGBLOHEIOT-CYBMUJFWSA-N 2 3 254.422 0.402 20 0 CCADHP C[NH2+]CC[C@@H](C)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138207 807164086 /nfs/dbraw/zinc/16/40/86/807164086.db2.gz AYBUNGJUVCDHRL-OLZOCXBDSA-N 2 3 254.422 0.448 20 0 CCADHP C[C@H]1C[C@H](NC[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246141372 807165267 /nfs/dbraw/zinc/16/52/67/807165267.db2.gz KGIREKFRQUTVDX-HPCHECBXSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@H]1C[C@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246141372 807165271 /nfs/dbraw/zinc/16/52/71/807165271.db2.gz KGIREKFRQUTVDX-HPCHECBXSA-N 2 3 253.390 0.341 20 0 CCADHP CC1(C)C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246147016 807167643 /nfs/dbraw/zinc/16/76/43/807167643.db2.gz PECOZGDFTSOCMG-KGLIPLIRSA-N 2 3 280.460 0.981 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C[NH2+]1 ZINC001246151080 807169124 /nfs/dbraw/zinc/16/91/24/807169124.db2.gz OFIIVIZXUJRMEX-QMVSFRDZSA-N 2 3 253.390 0.484 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246155846 807171195 /nfs/dbraw/zinc/17/11/95/807171195.db2.gz GOVKPSODRNZVPB-MJBXVCDLSA-N 2 3 253.390 0.487 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246375325 807238148 /nfs/dbraw/zinc/23/81/48/807238148.db2.gz OPAMPMCCEQRJAM-VHDGCEQUSA-N 2 3 266.433 0.543 20 0 CCADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583552 807304900 /nfs/dbraw/zinc/30/49/00/807304900.db2.gz JIJZCRVBLIXYNP-HZSPNIEDSA-N 2 3 257.422 0.748 20 0 CCADHP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583552 807304909 /nfs/dbraw/zinc/30/49/09/807304909.db2.gz JIJZCRVBLIXYNP-HZSPNIEDSA-N 2 3 257.422 0.748 20 0 CCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C1CCNCC1)C2 ZINC001246675578 807352987 /nfs/dbraw/zinc/35/29/87/807352987.db2.gz YUFZEDANMOTJLR-UJDVCPFMSA-N 2 3 293.411 0.069 20 0 CCADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C1CCNCC1)C2 ZINC001246675578 807352993 /nfs/dbraw/zinc/35/29/93/807352993.db2.gz YUFZEDANMOTJLR-UJDVCPFMSA-N 2 3 293.411 0.069 20 0 CCADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001169123813 836139676 /nfs/dbraw/zinc/13/96/76/836139676.db2.gz MZTCRDKODBJMFB-ZSHCYNCHSA-N 2 3 280.460 0.968 20 0 CCADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN(CCCC[NH3+])CC1)C2 ZINC001169123813 836139682 /nfs/dbraw/zinc/13/96/82/836139682.db2.gz MZTCRDKODBJMFB-ZSHCYNCHSA-N 2 3 280.460 0.968 20 0 CCADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588704 840133568 /nfs/dbraw/zinc/13/35/68/840133568.db2.gz CCQXFXJLMIHYQS-QWHCGFSZSA-N 2 3 253.390 0.568 20 0 CCADHP NC[C@@H]1CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246588704 840133576 /nfs/dbraw/zinc/13/35/76/840133576.db2.gz CCQXFXJLMIHYQS-QWHCGFSZSA-N 2 3 253.390 0.568 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC001333599657 919031358 /nfs/dbraw/zinc/03/13/58/919031358.db2.gz YAZNHRMDCIIHMQ-ARFHVFGLSA-N 2 3 296.459 0.156 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240434 358385322 /nfs/dbraw/zinc/38/53/22/358385322.db2.gz LAMJXFNHGWKEDK-GJZGRUSLSA-N 2 3 285.432 0.047 20 0 CCADHP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569578258 358774699 /nfs/dbraw/zinc/77/46/99/358774699.db2.gz LLEXBDCSPYYLFC-ZIAGYGMSSA-N 2 3 299.463 0.119 20 0 CCADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000634733500 372177862 /nfs/dbraw/zinc/17/78/62/372177862.db2.gz HAXOIVDMCFZMHE-KBPBESRZSA-N 2 3 296.459 0.552 20 0 CCADHP [NH3+]CC1(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000634996845 372332160 /nfs/dbraw/zinc/33/21/60/372332160.db2.gz WZEJLBVXINXNQX-KBPBESRZSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000634996845 372332167 /nfs/dbraw/zinc/33/21/67/372332167.db2.gz WZEJLBVXINXNQX-KBPBESRZSA-N 2 3 267.417 0.944 20 0 CCADHP CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788404 390171364 /nfs/dbraw/zinc/17/13/64/390171364.db2.gz JFIOZFCLODROMB-BRWVUGGUSA-N 2 3 294.487 0.992 20 0 CCADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1C[NH2+]CCCO1 ZINC000647548104 390839818 /nfs/dbraw/zinc/83/98/18/390839818.db2.gz VLNRKJTYRCQOIB-AAVRWANBSA-N 2 3 253.390 0.343 20 0 CCADHP C[NH2+]CCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363875 412039822 /nfs/dbraw/zinc/03/98/22/412039822.db2.gz PWHAHEFKHMLABR-MGPQQGTHSA-N 2 3 255.406 0.957 20 0 CCADHP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662272873 414703894 /nfs/dbraw/zinc/70/38/94/414703894.db2.gz RJMMQWAOUGENJB-OLZOCXBDSA-N 2 3 253.390 0.568 20 0 CCADHP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662272873 414703895 /nfs/dbraw/zinc/70/38/95/414703895.db2.gz RJMMQWAOUGENJB-OLZOCXBDSA-N 2 3 253.390 0.568 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000663504923 415079567 /nfs/dbraw/zinc/07/95/67/415079567.db2.gz CBYXYWCARSXZHO-DZGCQCFKSA-N 2 3 296.459 0.837 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000665289446 415586834 /nfs/dbraw/zinc/58/68/34/415586834.db2.gz OCPDYDYTJRLHNO-ZFWWWQNUSA-N 2 3 296.459 0.694 20 0 CCADHP COCC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]CC1 ZINC000423411787 277199473 /nfs/dbraw/zinc/19/94/73/277199473.db2.gz VFUTUMPUXCUBQL-QWHCGFSZSA-N 2 3 255.406 0.590 20 0 CCADHP COCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC[NH2+]CC1 ZINC000577005170 335277914 /nfs/dbraw/zinc/27/79/14/335277914.db2.gz RAJCEQCNZRUAMN-STQMWFEESA-N 2 3 255.406 0.862 20 0 CCADHP CC(C)(C)[C@]1(C[NH3+])CCN(CCN2CC[NH2+]CC2)C1 ZINC000866708965 614042802 /nfs/dbraw/zinc/04/28/02/614042802.db2.gz UBEXZVFTKYUQHJ-HNNXBMFYSA-N 2 3 268.449 0.589 20 0 CCADHP CC(C)N(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022836 614253023 /nfs/dbraw/zinc/25/30/23/614253023.db2.gz AJQCWRGZAWVZMX-HUUCEWRRSA-N 2 3 298.475 0.524 20 0 CCADHP C[C@@]1(C[NH3+])CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903747763 634634779 /nfs/dbraw/zinc/63/47/79/634634779.db2.gz WSWHKIDVYRFJCS-KGLIPLIRSA-N 2 3 267.417 0.816 20 0 CCADHP C[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000903777019 634648196 /nfs/dbraw/zinc/64/81/96/634648196.db2.gz ZATNAYQYYFAUAL-YIYPIFLZSA-N 2 3 253.390 0.282 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cnn1C ZINC000903978469 634699977 /nfs/dbraw/zinc/69/99/77/634699977.db2.gz GLBQUQCSUDYYLO-BPLDGKMQSA-N 2 3 293.459 0.681 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925476811 638122972 /nfs/dbraw/zinc/12/29/72/638122972.db2.gz AJYJJMPXFMHQLH-OFQRWUPVSA-N 2 3 280.460 0.885 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925476811 638122975 /nfs/dbraw/zinc/12/29/75/638122975.db2.gz AJYJJMPXFMHQLH-OFQRWUPVSA-N 2 3 280.460 0.885 20 0 CCADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC12CC(C1)CN2 ZINC000925718683 648456473 /nfs/dbraw/zinc/45/64/73/648456473.db2.gz ZDWXRBVZMLROTM-BJIAHVAYSA-N 2 3 251.374 0.080 20 0 CCADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2NCC12CC(C1)C[NH2+]2 ZINC000925718683 648456476 /nfs/dbraw/zinc/45/64/76/648456476.db2.gz ZDWXRBVZMLROTM-BJIAHVAYSA-N 2 3 251.374 0.080 20 0 CCADHP [NH3+]C[C@]1(F)CCCCN(CC2(O)CC[NH2+]CC2)C1 ZINC001246020916 807120138 /nfs/dbraw/zinc/12/01/38/807120138.db2.gz KILABCMXKSXCGR-GFCCVEGCSA-N 2 3 259.369 0.254 20 0 CCADHP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)CCC[NH3+] ZINC001157414275 801375950 /nfs/dbraw/zinc/37/59/50/801375950.db2.gz XLDDUHQPMANLJT-AWEZNQCLSA-N 2 3 291.399 0.537 20 0 CCADHP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160454718 801942681 /nfs/dbraw/zinc/94/26/81/801942681.db2.gz QYNLPXUCDGFCGB-ZDUSSCGKSA-N 2 3 270.421 0.243 20 0 CCADHP CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160687221 802001159 /nfs/dbraw/zinc/00/11/59/802001159.db2.gz AUBHBWPRDOIWSO-AWEZNQCLSA-N 2 3 284.448 0.600 20 0 CCADHP CN(C)CCN(C(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161449319 802155924 /nfs/dbraw/zinc/15/59/24/802155924.db2.gz LNXHRVBYABRZFZ-ZFWWWQNUSA-N 2 3 282.432 0.128 20 0 CCADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218898260 804151401 /nfs/dbraw/zinc/15/14/01/804151401.db2.gz LVDCGVYTHHJFJK-ZDUSSCGKSA-N 2 3 278.400 0.928 20 0 CCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219027885 804184736 /nfs/dbraw/zinc/18/47/36/804184736.db2.gz GUHNZWMIAPETNT-ZDUSSCGKSA-N 2 3 292.383 0.563 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163528 804523906 /nfs/dbraw/zinc/52/39/06/804523906.db2.gz RGJGDWOEOWKHKL-IPYPFGDCSA-N 2 3 282.432 0.481 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246219 804758131 /nfs/dbraw/zinc/75/81/31/804758131.db2.gz UHPQVAKVHYWVIX-GXTWGEPZSA-N 2 3 268.405 0.091 20 0 CCADHP N[C@H](Cc1ccccc1)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085628 804863702 /nfs/dbraw/zinc/86/37/02/804863702.db2.gz FVCAADREHZCXNY-MRXNPFEDSA-N 2 3 288.439 0.584 20 0 CCADHP N[C@H](Cc1ccccc1)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085628 804863708 /nfs/dbraw/zinc/86/37/08/804863708.db2.gz FVCAADREHZCXNY-MRXNPFEDSA-N 2 3 288.439 0.584 20 0 CCADHP C([C@@H]1CCC[NH2+]C1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222085685 804864325 /nfs/dbraw/zinc/86/43/25/804864325.db2.gz IGJZVRKDXTUABP-CYBMUJFWSA-N 2 3 252.406 0.013 20 0 CCADHP C1CC12CNC[C@H]2[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246131494 807161342 /nfs/dbraw/zinc/16/13/42/807161342.db2.gz KFHVHVIZSSBAHP-JVWICGRDSA-N 2 3 265.401 0.629 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246132644 807162372 /nfs/dbraw/zinc/16/23/72/807162372.db2.gz MJBGAXWBLIDEOP-AGIUHOORSA-N 2 3 253.390 0.628 20 0 CCADHP C(C[C@@H]1CCOC12CC[NH2+]CC2)N[C@H]1CCC[NH2+]C1 ZINC001246143184 807165008 /nfs/dbraw/zinc/16/50/08/807165008.db2.gz UOQYEFADNWQPEI-KGLIPLIRSA-N 2 3 267.417 0.877 20 0 CCADHP CC1(C)C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246147011 807167689 /nfs/dbraw/zinc/16/76/89/807167689.db2.gz PECOZGDFTSOCMG-KBPBESRZSA-N 2 3 280.460 0.981 20 0 CCADHP C[NH2+]C[C@H]1CCCN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246547936 807282172 /nfs/dbraw/zinc/28/21/72/807282172.db2.gz HBSOAXFNVTVGSC-CHWSQXEVSA-N 2 3 252.406 0.012 20 0 CCADHP NC[C@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1O ZINC001246582424 807302211 /nfs/dbraw/zinc/30/22/11/807302211.db2.gz YONIVFBUCZMMIY-AVGNSLFASA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1O ZINC001246582424 807302220 /nfs/dbraw/zinc/30/22/20/807302220.db2.gz YONIVFBUCZMMIY-AVGNSLFASA-N 2 3 253.390 0.160 20 0 CCADHP C[C@@H]1CC[C@@H](CN)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588867 807309556 /nfs/dbraw/zinc/30/95/56/807309556.db2.gz BCVFBYQPAQYEBU-FRRDWIJNSA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1CC[C@@H](CN)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588867 807309565 /nfs/dbraw/zinc/30/95/65/807309565.db2.gz BCVFBYQPAQYEBU-FRRDWIJNSA-N 2 3 252.406 0.140 20 0 CCADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589913 807311615 /nfs/dbraw/zinc/31/16/15/807311615.db2.gz GNXMKQHNOSACCP-QWHCGFSZSA-N 2 3 252.406 0.141 20 0 CCADHP NC[C@@H]1CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246589913 807311623 /nfs/dbraw/zinc/31/16/23/807311623.db2.gz GNXMKQHNOSACCP-QWHCGFSZSA-N 2 3 252.406 0.141 20 0 CCADHP C1CC2(C[C@H]1[N@@H+]1CCN[C@H]3CCNCC[C@@H]31)CC[NH2+]CC2 ZINC001246617626 807325301 /nfs/dbraw/zinc/32/53/01/807325301.db2.gz HXOKCYFLOWQNGO-JYJNAYRXSA-N 2 3 292.471 0.935 20 0 CCADHP C1CC2(C[C@H]1[N@H+]1CCN[C@H]3CCNCC[C@@H]31)CC[NH2+]CC2 ZINC001246617626 807325309 /nfs/dbraw/zinc/32/53/09/807325309.db2.gz HXOKCYFLOWQNGO-JYJNAYRXSA-N 2 3 292.471 0.935 20 0 CCADHP CC(C)(C)NC[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253406195 808060260 /nfs/dbraw/zinc/06/02/60/808060260.db2.gz CFUJSDKIEZTHGS-AWEZNQCLSA-N 2 3 287.448 0.029 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001261837186 809104186 /nfs/dbraw/zinc/10/41/86/809104186.db2.gz WVESOOSSIUWMQS-MELADBBJSA-N 2 3 271.405 0.099 20 0 CCADHP C[C@@H]1CC[C@@H](NC[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246130080 839635259 /nfs/dbraw/zinc/63/52/59/839635259.db2.gz YDRHNBTUPJBFFL-HZSPNIEDSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246577230 840094856 /nfs/dbraw/zinc/09/48/56/840094856.db2.gz NUSIQBNMLUAYIS-KGLIPLIRSA-N 2 3 267.417 0.958 20 0 CCADHP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246577230 840094861 /nfs/dbraw/zinc/09/48/61/840094861.db2.gz NUSIQBNMLUAYIS-KGLIPLIRSA-N 2 3 267.417 0.958 20 0 CCADHP C[C@H](NC1CC[NH+](CCN(C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422967622 299272483 /nfs/dbraw/zinc/27/24/83/299272483.db2.gz UJHJEMJNFJFLCP-DZGCQCFKSA-N 2 3 268.449 0.743 20 0 CCADHP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000563137812 291197902 /nfs/dbraw/zinc/19/79/02/291197902.db2.gz YNLHNZOCFDEDKY-KBPBESRZSA-N 2 3 284.448 0.489 20 0 CCADHP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000563137812 291197904 /nfs/dbraw/zinc/19/79/04/291197904.db2.gz YNLHNZOCFDEDKY-KBPBESRZSA-N 2 3 284.448 0.489 20 0 CCADHP [NH3+]CC1(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000634996846 372333187 /nfs/dbraw/zinc/33/31/87/372333187.db2.gz WZEJLBVXINXNQX-KGLIPLIRSA-N 2 3 267.417 0.944 20 0 CCADHP NCC1(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000634996846 372333197 /nfs/dbraw/zinc/33/31/97/372333197.db2.gz WZEJLBVXINXNQX-KGLIPLIRSA-N 2 3 267.417 0.944 20 0 CCADHP CCOC(=O)C1([C@@H](C)NC[C@@H](C)C[NH2+]C)CC[NH2+]CC1 ZINC000423267816 389558389 /nfs/dbraw/zinc/55/83/89/389558389.db2.gz FGWVKBSGCWWMBM-QWHCGFSZSA-N 2 3 285.432 0.753 20 0 CCADHP [NH3+]CCOCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000647992603 390241954 /nfs/dbraw/zinc/24/19/54/390241954.db2.gz RIIFVFBRNBPXFF-KBPBESRZSA-N 2 3 271.405 0.180 20 0 CCADHP CC(C)(N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707240 397747128 /nfs/dbraw/zinc/74/71/28/397747128.db2.gz BNZQZCHFNABLLM-XQQFMLRXSA-N 2 3 255.406 0.942 20 0 CCADHP CC(C)(N)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707240 397747133 /nfs/dbraw/zinc/74/71/33/397747133.db2.gz BNZQZCHFNABLLM-XQQFMLRXSA-N 2 3 255.406 0.942 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662272229 414703876 /nfs/dbraw/zinc/70/38/76/414703876.db2.gz CXLOLWUNSPVSDO-ILXRZTDVSA-N 2 3 279.428 0.829 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662272229 414703877 /nfs/dbraw/zinc/70/38/77/414703877.db2.gz CXLOLWUNSPVSDO-ILXRZTDVSA-N 2 3 279.428 0.829 20 0 CCADHP [NH3+]CCCOC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662247415 414699325 /nfs/dbraw/zinc/69/93/25/414699325.db2.gz GIKDLBRHRSRNNK-AWEZNQCLSA-N 2 3 283.416 0.337 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414889678 277716947 /nfs/dbraw/zinc/71/69/47/277716947.db2.gz UAFPIBJIUGTQTK-KFWWJZLASA-N 2 3 266.433 0.402 20 0 CCADHP C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000397500733 581142049 /nfs/dbraw/zinc/14/20/49/581142049.db2.gz XKOMRXIRAUOSPQ-CYBMUJFWSA-N 2 3 269.433 0.763 20 0 CCADHP C(CC1CC[NH2+]CC1)C[NH+]1CCNCCNCC1 ZINC000923460767 613224854 /nfs/dbraw/zinc/22/48/54/613224854.db2.gz VAANLBMQQSXRGO-UHFFFAOYSA-N 2 3 254.422 0.261 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923428967 613225904 /nfs/dbraw/zinc/22/59/04/613225904.db2.gz UTKCTHWMICJDFB-LSDHHAIUSA-N 2 3 279.428 0.831 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923500841 615100282 /nfs/dbraw/zinc/10/02/82/615100282.db2.gz YKUDANORDRRPIG-UONOGXRCSA-N 2 3 296.459 0.504 20 0 CCADHP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923482218 615100313 /nfs/dbraw/zinc/10/03/13/615100313.db2.gz PMZMCTGMHPXOET-CYBMUJFWSA-N 2 3 282.432 0.258 20 0 CCADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)C[C@H]1C[NH+](C)C ZINC000884453588 615929466 /nfs/dbraw/zinc/92/94/66/615929466.db2.gz SWVSCSFAQZZXEP-KFWWJZLASA-N 2 3 296.459 0.312 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925716513 616940531 /nfs/dbraw/zinc/94/05/31/616940531.db2.gz OAICQQSBQQHJFM-ZFWWWQNUSA-N 2 3 296.459 0.707 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505403 634584509 /nfs/dbraw/zinc/58/45/09/634584509.db2.gz ACSIJMAKFZKKND-WTTBNOFXSA-N 2 3 292.471 0.743 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505403 634584498 /nfs/dbraw/zinc/58/44/98/634584498.db2.gz ACSIJMAKFZKKND-WTTBNOFXSA-N 2 3 292.471 0.743 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505403 634584502 /nfs/dbraw/zinc/58/45/02/634584502.db2.gz ACSIJMAKFZKKND-WTTBNOFXSA-N 2 3 292.471 0.743 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000923325321 640087206 /nfs/dbraw/zinc/08/72/06/640087206.db2.gz BZKMVCAGUHNKGW-BPUTZDHNSA-N 2 3 297.443 0.414 20 0 CCADHP [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817279 648464218 /nfs/dbraw/zinc/46/42/18/648464218.db2.gz PHVGWPZMVFLLFZ-GXTWGEPZSA-N 2 3 254.422 0.517 20 0 CCADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817279 648464221 /nfs/dbraw/zinc/46/42/21/648464221.db2.gz PHVGWPZMVFLLFZ-GXTWGEPZSA-N 2 3 254.422 0.517 20 0 CCADHP C([NH2+]C1CCNCC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001246126572 807160677 /nfs/dbraw/zinc/16/06/77/807160677.db2.gz MOORABBKELXKKY-LBPRGKRZSA-N 2 3 253.390 0.487 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206134 799879878 /nfs/dbraw/zinc/87/98/78/799879878.db2.gz WXVQLCYZHBAUQS-AWEZNQCLSA-N 2 3 282.432 0.291 20 0 CCADHP C[C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1[NH3+] ZINC001157800108 801489170 /nfs/dbraw/zinc/48/91/70/801489170.db2.gz YAUAKOYCCWOFKN-AGIUHOORSA-N 2 3 280.416 0.056 20 0 CCADHP C[C@@H]1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1[NH3+] ZINC001157800108 801489174 /nfs/dbraw/zinc/48/91/74/801489174.db2.gz YAUAKOYCCWOFKN-AGIUHOORSA-N 2 3 280.416 0.056 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158425611 801644862 /nfs/dbraw/zinc/64/48/62/801644862.db2.gz XOJPIFNUVYFYQO-AVGNSLFASA-N 2 3 268.405 0.008 20 0 CCADHP C[NH2+]CC1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001160459720 801945378 /nfs/dbraw/zinc/94/53/78/801945378.db2.gz RQKMLHYUNUHUFC-HNNXBMFYSA-N 2 3 298.475 0.940 20 0 CCADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161489060 802162145 /nfs/dbraw/zinc/16/21/45/802162145.db2.gz JAOFQSFDYKEOSF-WCQYABFASA-N 2 3 256.394 0.030 20 0 CCADHP CN(C)CCN(C(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444124 802155755 /nfs/dbraw/zinc/15/57/55/802155755.db2.gz CDJXYYLOYNXIOJ-KGLIPLIRSA-N 2 3 282.432 0.256 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448245 802155888 /nfs/dbraw/zinc/15/58/88/802155888.db2.gz ACBCRGZLYQIXQN-UONOGXRCSA-N 2 3 296.459 0.374 20 0 CCADHP [NH3+]C[C@]1(F)CCC[N@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205545758 803147161 /nfs/dbraw/zinc/14/71/61/803147161.db2.gz MXNZDMMQAPGGQX-OLZOCXBDSA-N 2 3 259.369 0.518 20 0 CCADHP [NH3+]C[C@]1(F)CCC[N@@H+](CC[C@@H]2CNCCO2)CC1 ZINC001205545758 803147165 /nfs/dbraw/zinc/14/71/65/803147165.db2.gz MXNZDMMQAPGGQX-OLZOCXBDSA-N 2 3 259.369 0.518 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219640848 804386860 /nfs/dbraw/zinc/38/68/60/804386860.db2.gz CJWIGIGTUCEGFM-BFHYXJOUSA-N 2 3 294.443 0.222 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219640848 804386866 /nfs/dbraw/zinc/38/68/66/804386866.db2.gz CJWIGIGTUCEGFM-BFHYXJOUSA-N 2 3 294.443 0.222 20 0 CCADHP CCC[NH+]1CCC(NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001219954958 804458421 /nfs/dbraw/zinc/45/84/21/804458421.db2.gz ZNXHVIHFLWEKGK-GFCCVEGCSA-N 2 3 256.394 0.043 20 0 CCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220331675 804574715 /nfs/dbraw/zinc/57/47/15/804574715.db2.gz BDWOZBUZRVJNGD-UKRRQHHQSA-N 2 3 296.459 0.550 20 0 CCADHP N[C@@H](C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001220681241 804648764 /nfs/dbraw/zinc/64/87/64/804648764.db2.gz ZPBDCOFNDOGZBS-ZOBORPQBSA-N 2 3 280.416 0.103 20 0 CCADHP C[C@@H](CNC(=O)[C@@H](N)C1CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001220765842 804663268 /nfs/dbraw/zinc/66/32/68/804663268.db2.gz GNRRTWBJTQYAQJ-OCCSQVGLSA-N 2 3 298.475 0.831 20 0 CCADHP O[C@@]1(C[NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246078442 807144443 /nfs/dbraw/zinc/14/44/43/807144443.db2.gz ASIYGRNIQDUDRF-LXTVHRRPSA-N 2 3 285.407 0.561 20 0 CCADHP CCCC[C@@H]1C[C@H](NCCC2(O)C[NH2+]C2)CC[NH2+]1 ZINC001246119611 807159990 /nfs/dbraw/zinc/15/99/90/807159990.db2.gz WNJFTIKMTLTNGS-CHWSQXEVSA-N 2 3 255.406 0.611 20 0 CCADHP c1cc2n(c1)C[C@@H](CC[NH2+]C1CCNCC1)C[NH2+]C2 ZINC001246135374 807162710 /nfs/dbraw/zinc/16/27/10/807162710.db2.gz AEJQJPXAXCLESY-ZDUSSCGKSA-N 2 3 262.401 0.939 20 0 CCADHP C[C@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246139630 807163416 /nfs/dbraw/zinc/16/34/16/807163416.db2.gz DKZCIGXFRWKRSY-MELADBBJSA-N 2 3 266.433 0.591 20 0 CCADHP C(N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246142341 807164762 /nfs/dbraw/zinc/16/47/62/807164762.db2.gz IKDIDKIAKKGZAY-BARDWOONSA-N 2 3 278.444 0.733 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246156205 807171227 /nfs/dbraw/zinc/17/12/27/807171227.db2.gz KENFASZKVBHGQC-BARDWOONSA-N 2 3 267.417 0.875 20 0 CCADHP CC1(C)CC[NH2+]C[C@H]1N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246334146 807224828 /nfs/dbraw/zinc/22/48/28/807224828.db2.gz YYLFGJYIXWWAQR-NWDGAFQWSA-N 2 3 252.406 0.058 20 0 CCADHP CC(C)[C@@H]1C[C@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545945 807281028 /nfs/dbraw/zinc/28/10/28/807281028.db2.gz XQXJRXXXHIQNDY-QLFBSQMISA-N 2 3 269.433 0.939 20 0 CCADHP [NH3+][C@@H]1CCN([C@@H]2CSC3(C[NH2+]C3)C2)CC[C@@H]1F ZINC001246585389 807306034 /nfs/dbraw/zinc/30/60/34/807306034.db2.gz JZPOCTPJVQFFIX-GARJFASQSA-N 2 3 259.394 0.595 20 0 CCADHP CC1(C)C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246607017 807319077 /nfs/dbraw/zinc/31/90/77/807319077.db2.gz ULWKKGYOFKDGOB-ZDUSSCGKSA-N 2 3 266.433 0.544 20 0 CCADHP CC1(C)C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246607017 807319085 /nfs/dbraw/zinc/31/90/85/807319085.db2.gz ULWKKGYOFKDGOB-ZDUSSCGKSA-N 2 3 266.433 0.544 20 0 CCADHP CC1(C)C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246607017 807319094 /nfs/dbraw/zinc/31/90/94/807319094.db2.gz ULWKKGYOFKDGOB-ZDUSSCGKSA-N 2 3 266.433 0.544 20 0 CCADHP CC[C@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246605828 807320491 /nfs/dbraw/zinc/32/04/91/807320491.db2.gz QYGTVTOLBNCESM-KBPBESRZSA-N 2 3 266.433 0.544 20 0 CCADHP C1[NH2+]CC12C[C@H]([N@@H+]1CCCC13CCNCC3)CCN2 ZINC001246656023 807347816 /nfs/dbraw/zinc/34/78/16/807347816.db2.gz RSENRNOXWUNGPB-CYBMUJFWSA-N 2 3 264.417 0.298 20 0 CCADHP C1[NH2+]CC12C[C@H]([N@H+]1CCCC13CCNCC3)CCN2 ZINC001246656023 807347825 /nfs/dbraw/zinc/34/78/25/807347825.db2.gz RSENRNOXWUNGPB-CYBMUJFWSA-N 2 3 264.417 0.298 20 0 CCADHP NC1([C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CF)CC1 ZINC001246695985 807357713 /nfs/dbraw/zinc/35/77/13/807357713.db2.gz UNCRHMAAQLKWIM-FRRDWIJNSA-N 2 3 282.407 0.089 20 0 CCADHP NC1([C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CF)CC1 ZINC001246695985 807357721 /nfs/dbraw/zinc/35/77/21/807357721.db2.gz UNCRHMAAQLKWIM-FRRDWIJNSA-N 2 3 282.407 0.089 20 0 CCADHP O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246229314 839709889 /nfs/dbraw/zinc/70/98/89/839709889.db2.gz ORBVEZYQUCPVPV-PIGZVRMJSA-N 2 3 253.390 0.220 20 0 CCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160696575 840135548 /nfs/dbraw/zinc/13/55/48/840135548.db2.gz XFMCXZMGEQMSSW-KBPBESRZSA-N 2 3 294.443 0.319 20 0 CCADHP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160696575 840135555 /nfs/dbraw/zinc/13/55/55/840135555.db2.gz XFMCXZMGEQMSSW-KBPBESRZSA-N 2 3 294.443 0.319 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC001119028296 856533451 /nfs/dbraw/zinc/53/34/51/856533451.db2.gz MWRBCVNYDNPXAC-UHFFFAOYSA-N 2 3 294.443 0.319 20 0 CCADHP CN1CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000629540603 369697695 /nfs/dbraw/zinc/69/76/95/369697695.db2.gz VFTKTAVFRMUBCF-IHRRRGAJSA-N 2 3 255.406 0.814 20 0 CCADHP CCN(CCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000420316429 389982963 /nfs/dbraw/zinc/98/29/63/389982963.db2.gz SRBBQFMBRZTBBP-CQSZACIVSA-N 2 3 254.422 0.356 20 0 CCADHP CN(C)CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400998654 411779822 /nfs/dbraw/zinc/77/98/22/411779822.db2.gz LOAZVGJOEYVBPM-HZSPNIEDSA-N 2 3 255.406 0.542 20 0 CCADHP [NH3+]CCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662284792 414706185 /nfs/dbraw/zinc/70/61/85/414706185.db2.gz PJGPZNUHPRXATD-ZDUSSCGKSA-N 2 3 253.390 0.568 20 0 CCADHP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788125 613234339 /nfs/dbraw/zinc/23/43/39/613234339.db2.gz CJWKESCCUKNPOB-GBJTYRQASA-N 2 3 265.401 0.296 20 0 CCADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@]1(C)CCCNC1)C2 ZINC000904388870 616802075 /nfs/dbraw/zinc/80/20/75/616802075.db2.gz PWKSEZQJIICWIG-XNISGKROSA-N 2 3 295.427 0.588 20 0 CCADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@]1(C)CCCNC1)C2 ZINC000904388870 616802077 /nfs/dbraw/zinc/80/20/77/616802077.db2.gz PWKSEZQJIICWIG-XNISGKROSA-N 2 3 295.427 0.588 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)CCCC[NH3+])cnn1C ZINC000903918821 634685641 /nfs/dbraw/zinc/68/56/41/634685641.db2.gz IVHDVFKIMCRJGY-JSGCOSHPSA-N 2 3 281.448 0.953 20 0 CCADHP C[C@@H](NCCCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000925842359 631388676 /nfs/dbraw/zinc/38/86/76/631388676.db2.gz MFRXBXYCTTYXGU-HUUCEWRRSA-N 2 3 268.449 0.792 20 0 CCADHP [NH3+]CCCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000846220521 643389754 /nfs/dbraw/zinc/38/97/54/643389754.db2.gz JIIXFEJJKAPSHV-CQSZACIVSA-N 2 3 254.422 0.485 20 0 CCADHP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873244276 646364036 /nfs/dbraw/zinc/36/40/36/646364036.db2.gz PXMHVMNQYYGXNP-RYUDHWBXSA-N 2 3 288.399 0.941 20 0 CCADHP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848334 648466214 /nfs/dbraw/zinc/46/62/14/648466214.db2.gz FWTBKEDYZYPRKC-MGPQQGTHSA-N 2 3 295.427 0.649 20 0 CCADHP C([NH2+]C1CCNCC1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001246158226 807172038 /nfs/dbraw/zinc/17/20/38/807172038.db2.gz UDESWFSCCRFOAG-OCCSQVGLSA-N 2 3 253.390 0.487 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161443005 802154137 /nfs/dbraw/zinc/15/41/37/802154137.db2.gz KGGKSPSOWGOCLT-ZQDZILKHSA-N 2 3 294.443 0.269 20 0 CCADHP CN(C)CCN(C(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161449317 802155122 /nfs/dbraw/zinc/15/51/22/802155122.db2.gz LNXHRVBYABRZFZ-HIFRSBDPSA-N 2 3 282.432 0.128 20 0 CCADHP C[C@@H]1C[N@H+](CC[C@@H]2CNCCO2)CCC[C@@H]1C[NH3+] ZINC001205982144 803195131 /nfs/dbraw/zinc/19/51/31/803195131.db2.gz KZOUZUBIKBTZBJ-MGPQQGTHSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@@H]1C[N@@H+](CC[C@@H]2CNCCO2)CCC[C@@H]1C[NH3+] ZINC001205982144 803195133 /nfs/dbraw/zinc/19/51/33/803195133.db2.gz KZOUZUBIKBTZBJ-MGPQQGTHSA-N 2 3 255.406 0.672 20 0 CCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220332831 804576031 /nfs/dbraw/zinc/57/60/31/804576031.db2.gz QBPRCESGSSNMCQ-ZIAGYGMSSA-N 2 3 294.443 0.032 20 0 CCADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001221395236 804800303 /nfs/dbraw/zinc/80/03/03/804800303.db2.gz PJOBUNYNRRWRCO-HZSPNIEDSA-N 2 3 284.448 0.822 20 0 CCADHP C[NH+](C)CC1CCC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001221402248 804803596 /nfs/dbraw/zinc/80/35/96/804803596.db2.gz ASZVYDNWHKSVBF-ZALBZXLWSA-N 2 3 296.459 0.550 20 0 CCADHP CC(C)(C)[NH2+]C[C@@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245984257 807106784 /nfs/dbraw/zinc/10/67/84/807106784.db2.gz IUDJLWFVHRTXRK-KGLIPLIRSA-N 2 3 298.475 0.199 20 0 CCADHP COC(=O)C1(C[NH2+][C@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246097424 807152859 /nfs/dbraw/zinc/15/28/59/807152859.db2.gz PAIILHOXRBDIFV-NEPJUHHUSA-N 2 3 269.389 0.259 20 0 CCADHP COC(=O)C1(CN[C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246097424 807152862 /nfs/dbraw/zinc/15/28/62/807152862.db2.gz PAIILHOXRBDIFV-NEPJUHHUSA-N 2 3 269.389 0.259 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246132647 807162076 /nfs/dbraw/zinc/16/20/76/807162076.db2.gz MJBGAXWBLIDEOP-FRRDWIJNSA-N 2 3 253.390 0.628 20 0 CCADHP c1cc2n(c1)C[C@@H](CCN[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001246141261 807164658 /nfs/dbraw/zinc/16/46/58/807164658.db2.gz POYCEZPYLFQLIM-KBPBESRZSA-N 2 3 262.401 0.939 20 0 CCADHP C[C@@H]1C[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246252155 807198419 /nfs/dbraw/zinc/19/84/19/807198419.db2.gz ZWALKPBXHNMTBO-MCIONIFRSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC001246252155 807198423 /nfs/dbraw/zinc/19/84/23/807198423.db2.gz ZWALKPBXHNMTBO-MCIONIFRSA-N 2 3 267.417 0.875 20 0 CCADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246337892 807226127 /nfs/dbraw/zinc/22/61/27/807226127.db2.gz XHFQDBNAYYWPIZ-BFHYXJOUSA-N 2 3 266.433 0.543 20 0 CCADHP C[NH2+]C1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246417802 807248609 /nfs/dbraw/zinc/24/86/09/807248609.db2.gz PACFWPYNRFMMMT-MCIGGMRASA-N 2 3 256.394 0.090 20 0 CCADHP CC(C)[C@@H]1C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545950 807280991 /nfs/dbraw/zinc/28/09/91/807280991.db2.gz XQXJRXXXHIQNDY-SOUVJXGZSA-N 2 3 269.433 0.939 20 0 CCADHP C[C@@H]1CC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246546318 807281140 /nfs/dbraw/zinc/28/11/40/807281140.db2.gz ZQFADWSQXJNYRQ-BZPMIXESSA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1CC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246546318 807281146 /nfs/dbraw/zinc/28/11/46/807281146.db2.gz ZQFADWSQXJNYRQ-BZPMIXESSA-N 2 3 255.406 0.691 20 0 CCADHP C[C@@H]1CC(N2CCC[C@@](O)(C[NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246546318 807281151 /nfs/dbraw/zinc/28/11/51/807281151.db2.gz ZQFADWSQXJNYRQ-BZPMIXESSA-N 2 3 255.406 0.691 20 0 CCADHP NC[C@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1O ZINC001246582425 807302629 /nfs/dbraw/zinc/30/26/29/807302629.db2.gz YONIVFBUCZMMIY-XQQFMLRXSA-N 2 3 253.390 0.160 20 0 CCADHP NC[C@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1O ZINC001246582425 807302639 /nfs/dbraw/zinc/30/26/39/807302639.db2.gz YONIVFBUCZMMIY-XQQFMLRXSA-N 2 3 253.390 0.160 20 0 CCADHP F[C@@H]1CCNC[C@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693911 807355516 /nfs/dbraw/zinc/35/55/16/807355516.db2.gz RFMLAKMQQQMFMR-MJBXVCDLSA-N 2 3 282.407 0.104 20 0 CCADHP F[C@@H]1CCNC[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246693911 807355525 /nfs/dbraw/zinc/35/55/25/807355525.db2.gz RFMLAKMQQQMFMR-MJBXVCDLSA-N 2 3 282.407 0.104 20 0 CCADHP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747210 807370516 /nfs/dbraw/zinc/37/05/16/807370516.db2.gz KNSCUKTVINIGKI-LVQVYYBASA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747210 807370522 /nfs/dbraw/zinc/37/05/22/807370522.db2.gz KNSCUKTVINIGKI-LVQVYYBASA-N 2 3 280.460 0.837 20 0 CCADHP C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849489 807405679 /nfs/dbraw/zinc/40/56/79/807405679.db2.gz RWBXFMAMXAVILF-CHWSQXEVSA-N 2 3 252.406 0.012 20 0 CCADHP C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246849489 807405680 /nfs/dbraw/zinc/40/56/80/807405680.db2.gz RWBXFMAMXAVILF-CHWSQXEVSA-N 2 3 252.406 0.012 20 0 CCADHP CN1CCC[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)CC1 ZINC001254505485 808247988 /nfs/dbraw/zinc/24/79/88/808247988.db2.gz HCTFQSZDXKOEOI-HNNXBMFYSA-N 2 3 268.449 0.698 20 0 CCADHP CN1CCC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)CC1 ZINC001254505485 808247992 /nfs/dbraw/zinc/24/79/92/808247992.db2.gz HCTFQSZDXKOEOI-HNNXBMFYSA-N 2 3 268.449 0.698 20 0 CCADHP CN(C)CCN(C(=O)C1CC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444477 811602000 /nfs/dbraw/zinc/60/20/00/811602000.db2.gz IODVSXFFJYSNCP-AWEZNQCLSA-N 2 3 294.443 0.128 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422761 838157559 /nfs/dbraw/zinc/15/75/59/838157559.db2.gz LJKSFQFIMYTIGU-MELADBBJSA-N 2 3 282.432 0.445 20 0 CCADHP C[C@@H]1C[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246979306 840671426 /nfs/dbraw/zinc/67/14/26/840671426.db2.gz YIJACEQRVQJKFC-BPLDGKMQSA-N 2 3 266.433 0.624 20 0 CCADHP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2CC1CC[NH+](C)CC1 ZINC001276695896 903834278 /nfs/dbraw/zinc/83/42/78/903834278.db2.gz HVYXOFQUTLRMSX-IYBDPMFKSA-N 2 3 280.460 0.648 20 0 CCADHP CC[C@@H](N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000037825485 348211684 /nfs/dbraw/zinc/21/16/84/348211684.db2.gz YYEWTNCGLBXDNB-CYBMUJFWSA-N 2 3 272.437 0.456 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240435 358384810 /nfs/dbraw/zinc/38/48/10/358384810.db2.gz LAMJXFNHGWKEDK-HUUCEWRRSA-N 2 3 285.432 0.047 20 0 CCADHP C1CNC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566230176 291379825 /nfs/dbraw/zinc/37/98/25/291379825.db2.gz OLVZTEGNJXOGDT-SLTAFYQDSA-N 2 3 266.433 0.544 20 0 CCADHP C1CNC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000566230176 291379826 /nfs/dbraw/zinc/37/98/26/291379826.db2.gz OLVZTEGNJXOGDT-SLTAFYQDSA-N 2 3 266.433 0.544 20 0 CCADHP CN(CCOCC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000629581139 369724924 /nfs/dbraw/zinc/72/49/24/369724924.db2.gz OKUFPKOSLXUVAT-UHFFFAOYSA-N 2 3 263.385 0.739 20 0 CCADHP C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574809579 335049032 /nfs/dbraw/zinc/04/90/32/335049032.db2.gz USSXBEBNFFXCNV-QWHCGFSZSA-N 2 3 287.452 0.247 20 0 CCADHP CCOC(=O)C1([C@H](C)NC[C@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000423283714 389559361 /nfs/dbraw/zinc/55/93/61/389559361.db2.gz XKSBSPJQKKSZJH-STQMWFEESA-N 2 3 285.432 0.881 20 0 CCADHP [NH3+]CCOCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000647992605 390241711 /nfs/dbraw/zinc/24/17/11/390241711.db2.gz RIIFVFBRNBPXFF-UONOGXRCSA-N 2 3 271.405 0.180 20 0 CCADHP C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC[NH2+]CC1 ZINC000647966940 390233296 /nfs/dbraw/zinc/23/32/96/390233296.db2.gz WOVWGIAFOPRHMN-OAHLLOKOSA-N 2 3 266.433 0.356 20 0 CCADHP C(CC1CC[NH2+]CC1)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000647967337 390233971 /nfs/dbraw/zinc/23/39/71/390233971.db2.gz VVCFWXOJRQDTHA-MRXNPFEDSA-N 2 3 280.460 0.746 20 0 CCADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCN2CC[NH2+]CC2)C1 ZINC000652363655 412038999 /nfs/dbraw/zinc/03/89/99/412038999.db2.gz KNWVGZCVRIXHAO-BZUAXINKSA-N 2 3 296.459 0.252 20 0 CCADHP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284280 414705989 /nfs/dbraw/zinc/70/59/89/414705989.db2.gz UVSGEAUIBJXMOV-ZIAGYGMSSA-N 2 3 279.428 0.971 20 0 CCADHP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCC3(CNC3)O1)CC[NH2+]CC2 ZINC000662284280 414705990 /nfs/dbraw/zinc/70/59/90/414705990.db2.gz UVSGEAUIBJXMOV-ZIAGYGMSSA-N 2 3 279.428 0.971 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295257 414707659 /nfs/dbraw/zinc/70/76/59/414707659.db2.gz USKXUPWIUODPIV-GJZGRUSLSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000663507156 415079431 /nfs/dbraw/zinc/07/94/31/415079431.db2.gz ZACHPZWEBDKHIR-HIFRSBDPSA-N 2 3 296.459 0.565 20 0 CCADHP C[C@H](CCN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000676249382 545338394 /nfs/dbraw/zinc/33/83/94/545338394.db2.gz DHUMWRWKJCISMR-OWYFMNJBSA-N 2 3 278.444 0.067 20 0 CCADHP CN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000923333980 616151390 /nfs/dbraw/zinc/15/13/90/616151390.db2.gz DTDYINGTIGGMLJ-CHWSQXEVSA-N 2 3 253.390 0.439 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+]CCC[C@H]2CCC[NH2+]2)cnn1C ZINC000903919014 634686698 /nfs/dbraw/zinc/68/66/98/634686698.db2.gz KKKWLJREDSABRK-ZBFHGGJFSA-N 2 3 293.459 0.968 20 0 CCADHP C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851370 631399540 /nfs/dbraw/zinc/39/95/40/631399540.db2.gz YETRAWSTZDBIIX-XQQFMLRXSA-N 2 3 281.400 0.402 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000923375883 640109858 /nfs/dbraw/zinc/10/98/58/640109858.db2.gz QYPVUIGZNLZVSE-AIEDFZFUSA-N 2 3 283.416 0.055 20 0 CCADHP C[C@@H]1C[C@H](C)N(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923383537 640113747 /nfs/dbraw/zinc/11/37/47/640113747.db2.gz UASDDMLQFYOPFG-XJFOESAGSA-N 2 3 267.417 0.670 20 0 CCADHP C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000873293488 646371717 /nfs/dbraw/zinc/37/17/17/646371717.db2.gz KWSIFWIRQSSRDB-YPMHNXCESA-N 2 3 253.390 0.343 20 0 CCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000925717953 648456754 /nfs/dbraw/zinc/45/67/54/648456754.db2.gz JFXNJGCYZYWCSX-WGNAFFPOSA-N 2 3 290.415 0.418 20 0 CCADHP CN(CCN1CC[NH2+]CC1)Cc1cccc(C[NH3+])c1 ZINC001236081915 806543313 /nfs/dbraw/zinc/54/33/13/806543313.db2.gz SLNJTEMMHODKIC-UHFFFAOYSA-N 2 3 262.401 0.482 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001160443502 801941286 /nfs/dbraw/zinc/94/12/86/801941286.db2.gz LUQZAUWWCANPME-GFCCVEGCSA-N 2 3 250.346 0.411 20 0 CCADHP CC(C)(C)CN(C(=O)[C@@H](N)CCC[NH3+])C1CC[NH2+]CC1 ZINC001161259102 802116899 /nfs/dbraw/zinc/11/68/99/802116899.db2.gz VPSYMJZUSVUPDY-ZDUSSCGKSA-N 2 3 284.448 0.679 20 0 CCADHP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001161306388 802122027 /nfs/dbraw/zinc/12/20/27/802122027.db2.gz JWZATLWNHQMRIP-CYBMUJFWSA-N 2 3 291.399 0.105 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413782 802148118 /nfs/dbraw/zinc/14/81/18/802148118.db2.gz RHFKJFNCKJJCQX-XQLPTFJDSA-N 2 3 296.459 0.678 20 0 CCADHP C[NH2+]CCCC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161442653 802154302 /nfs/dbraw/zinc/15/43/02/802154302.db2.gz DLDFJAQGQCOVAQ-ZDUSSCGKSA-N 2 3 270.421 0.128 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218994740 804178930 /nfs/dbraw/zinc/17/89/30/804178930.db2.gz KVMDIWFGHLINHR-GXTWGEPZSA-N 2 3 276.384 0.768 20 0 CCADHP N[C@@H](C(=O)Nc1cccc2c1C[NH2+]C2)C1CC[NH2+]CC1 ZINC001218993312 804178988 /nfs/dbraw/zinc/17/89/88/804178988.db2.gz MQWIXFDYHCVUQS-CQSZACIVSA-N 2 3 274.368 0.555 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045386 804482275 /nfs/dbraw/zinc/48/22/75/804482275.db2.gz XXVLOFMLJUWRIF-LBPRGKRZSA-N 2 3 279.388 0.126 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163529 804523150 /nfs/dbraw/zinc/52/31/50/804523150.db2.gz RGJGDWOEOWKHKL-KCQAQPDRSA-N 2 3 282.432 0.481 20 0 CCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CCC[NH3+] ZINC001220334001 804576270 /nfs/dbraw/zinc/57/62/70/804576270.db2.gz YWUYVFSRMQGHLZ-CHWSQXEVSA-N 2 3 270.421 0.289 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001220854864 804680986 /nfs/dbraw/zinc/68/09/86/804680986.db2.gz BSKJJETVVNKGGB-HNNXBMFYSA-N 2 3 292.427 0.821 20 0 CCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221396800 804802289 /nfs/dbraw/zinc/80/22/89/804802289.db2.gz BFFBPJHRHWSVRT-GJZGRUSLSA-N 2 3 290.411 0.273 20 0 CCADHP COC(=O)C1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246097430 807152901 /nfs/dbraw/zinc/15/29/01/807152901.db2.gz PAIILHOXRBDIFV-VXGBXAGGSA-N 2 3 269.389 0.259 20 0 CCADHP COC(=O)C1(CN[C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246097430 807152904 /nfs/dbraw/zinc/15/29/04/807152904.db2.gz PAIILHOXRBDIFV-VXGBXAGGSA-N 2 3 269.389 0.259 20 0 CCADHP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246135518 807162140 /nfs/dbraw/zinc/16/21/40/807162140.db2.gz ZESHDUWZRQUQHZ-QNMSZWNNSA-N 2 3 265.401 0.770 20 0 CCADHP [NH3+]CCNCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246406824 807245065 /nfs/dbraw/zinc/24/50/65/807245065.db2.gz VDBCTODOHHYQQQ-GJZGRUSLSA-N 2 3 262.401 0.618 20 0 CCADHP CCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246424981 807249399 /nfs/dbraw/zinc/24/93/99/807249399.db2.gz UROQXCUZCXOGDI-LBPRGKRZSA-N 2 3 252.406 0.202 20 0 CCADHP CC1(C)C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541353 807279393 /nfs/dbraw/zinc/27/93/93/807279393.db2.gz GUZKYDQEOZBCNU-TZMCWYRMSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246541353 807279395 /nfs/dbraw/zinc/27/93/95/807279395.db2.gz GUZKYDQEOZBCNU-TZMCWYRMSA-N 2 3 255.406 0.693 20 0 CCADHP CC1(C)C[C@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246541353 807279402 /nfs/dbraw/zinc/27/94/02/807279402.db2.gz GUZKYDQEOZBCNU-TZMCWYRMSA-N 2 3 255.406 0.693 20 0 CCADHP C[C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246592458 807312733 /nfs/dbraw/zinc/31/27/33/807312733.db2.gz BPVYGRLSYRJICR-CHWSQXEVSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592458 807312739 /nfs/dbraw/zinc/31/27/39/807312739.db2.gz BPVYGRLSYRJICR-CHWSQXEVSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]1C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592458 807312747 /nfs/dbraw/zinc/31/27/47/807312747.db2.gz BPVYGRLSYRJICR-CHWSQXEVSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]1CC[C@H](N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)C[NH2+]1 ZINC001246749692 807371436 /nfs/dbraw/zinc/37/14/36/807371436.db2.gz SHOYFHDNCNIWPG-FXUDXRNXSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1CC[C@H](N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)C[NH2+]1 ZINC001246749692 807371443 /nfs/dbraw/zinc/37/14/43/807371443.db2.gz SHOYFHDNCNIWPG-FXUDXRNXSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1CC[C@H](N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749692 807371451 /nfs/dbraw/zinc/37/14/51/807371451.db2.gz SHOYFHDNCNIWPG-FXUDXRNXSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1C[C@@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963357 807442261 /nfs/dbraw/zinc/44/22/61/807442261.db2.gz AGYZMQLORCDVEG-IPYPFGDCSA-N 2 3 266.433 0.624 20 0 CCADHP CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022299 839583481 /nfs/dbraw/zinc/58/34/81/839583481.db2.gz QOOKNONRTSQLBE-KBPBESRZSA-N 2 3 275.412 0.842 20 0 CCADHP CCN(CC)C[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022299 839583486 /nfs/dbraw/zinc/58/34/86/839583486.db2.gz QOOKNONRTSQLBE-KBPBESRZSA-N 2 3 275.412 0.842 20 0 CCADHP C[C@@H]1CC[C@@H](NC[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246130119 839636153 /nfs/dbraw/zinc/63/61/53/839636153.db2.gz YDRHNBTUPJBFFL-MGPQQGTHSA-N 2 3 267.417 0.875 20 0 CCADHP C[NH2+]C1CCC([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246620834 840187211 /nfs/dbraw/zinc/18/72/11/840187211.db2.gz ZKGQEGSRUPKIRY-WUCCLRPBSA-N 2 3 266.433 0.543 20 0 CCADHP C[NH2+]C1CCC([N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246620834 840187217 /nfs/dbraw/zinc/18/72/17/840187217.db2.gz ZKGQEGSRUPKIRY-WUCCLRPBSA-N 2 3 266.433 0.543 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC001333599660 919031543 /nfs/dbraw/zinc/03/15/43/919031543.db2.gz YAZNHRMDCIIHMQ-OWCLPIDISA-N 2 3 296.459 0.156 20 0 CCADHP C(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607150993 363342312 /nfs/dbraw/zinc/34/23/12/363342312.db2.gz YPRXLBVZWBTLMO-VGWMRTNUSA-N 2 3 278.444 0.069 20 0 CCADHP C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607150993 363342318 /nfs/dbraw/zinc/34/23/18/363342318.db2.gz YPRXLBVZWBTLMO-VGWMRTNUSA-N 3 3 278.444 0.069 20 0 CCADHP CNC[C@@](C)(O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240436 358385339 /nfs/dbraw/zinc/38/53/39/358385339.db2.gz LAMJXFNHGWKEDK-LSDHHAIUSA-N 2 3 285.432 0.047 20 0 CCADHP [NH3+][C@@H]1CCCCC[C@H]1NCCCN1CC[NH2+]CC1 ZINC000331922940 389316185 /nfs/dbraw/zinc/31/61/85/389316185.db2.gz CIFZCXJXFLZFKQ-ZIAGYGMSSA-N 2 3 254.422 0.531 20 0 CCADHP C[C@H](NCC1CC[NH+](CCO)CC1)[C@H]1CCCC[NH2+]1 ZINC000422975748 389514351 /nfs/dbraw/zinc/51/43/51/389514351.db2.gz HFBSJRMXBJGJTK-DZGCQCFKSA-N 2 3 269.433 0.811 20 0 CCADHP CCOC(=O)C1([C@H](C)NC[C@H](C)C[NH2+]C)CC[NH2+]CC1 ZINC000423267815 389558751 /nfs/dbraw/zinc/55/87/51/389558751.db2.gz FGWVKBSGCWWMBM-OLZOCXBDSA-N 2 3 285.432 0.753 20 0 CCADHP COCC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]CC1 ZINC000423411780 389582204 /nfs/dbraw/zinc/58/22/04/389582204.db2.gz VFUTUMPUXCUBQL-CHWSQXEVSA-N 2 3 255.406 0.590 20 0 CCADHP [NH3+]CCOCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420378976 389994954 /nfs/dbraw/zinc/99/49/54/389994954.db2.gz UUYZTCVVBXJKJG-HIFRSBDPSA-N 2 3 267.417 0.910 20 0 CCADHP [NH3+]CCOCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420378976 389994956 /nfs/dbraw/zinc/99/49/56/389994956.db2.gz UUYZTCVVBXJKJG-HIFRSBDPSA-N 2 3 267.417 0.910 20 0 CCADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1C[NH2+]CCCO1 ZINC000647548107 390840115 /nfs/dbraw/zinc/84/01/15/390840115.db2.gz VLNRKJTYRCQOIB-XJFOESAGSA-N 2 3 253.390 0.343 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662272242 414703545 /nfs/dbraw/zinc/70/35/45/414703545.db2.gz CXLOLWUNSPVSDO-SOUVJXGZSA-N 2 3 279.428 0.829 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662272242 414703546 /nfs/dbraw/zinc/70/35/46/414703546.db2.gz CXLOLWUNSPVSDO-SOUVJXGZSA-N 2 3 279.428 0.829 20 0 CCADHP CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295151 414707348 /nfs/dbraw/zinc/70/73/48/414707348.db2.gz TXCWVDJQPKBXSB-HUUCEWRRSA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295151 414707349 /nfs/dbraw/zinc/70/73/49/414707349.db2.gz TXCWVDJQPKBXSB-HUUCEWRRSA-N 2 3 269.433 0.668 20 0 CCADHP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295151 414707350 /nfs/dbraw/zinc/70/73/50/414707350.db2.gz TXCWVDJQPKBXSB-HUUCEWRRSA-N 2 3 269.433 0.668 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295255 414707364 /nfs/dbraw/zinc/70/73/64/414707364.db2.gz USKXUPWIUODPIV-CABCVRRESA-N 2 3 269.433 0.668 20 0 CCADHP COCC1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663498426 415080587 /nfs/dbraw/zinc/08/05/87/415080587.db2.gz SOWCKPPGFCGZQB-OCCSQVGLSA-N 2 3 253.390 0.202 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582611086 329116465 /nfs/dbraw/zinc/11/64/65/329116465.db2.gz LUAPDNPZDAIUBI-KBPBESRZSA-N 2 3 255.406 0.278 20 0 CCADHP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742529 613233939 /nfs/dbraw/zinc/23/39/39/613233939.db2.gz CGBPHWKFUKXKLA-LXTVHRRPSA-N 2 3 265.401 0.581 20 0 CCADHP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903742529 613233940 /nfs/dbraw/zinc/23/39/40/613233940.db2.gz CGBPHWKFUKXKLA-LXTVHRRPSA-N 2 3 265.401 0.581 20 0 CCADHP CC[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000903747706 634635041 /nfs/dbraw/zinc/63/50/41/634635041.db2.gz VEFZNBMVEQCSEV-BARDWOONSA-N 2 3 267.417 0.814 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cnn1C ZINC000903918594 634685318 /nfs/dbraw/zinc/68/53/18/634685318.db2.gz CIPXJNXSVZDHCV-GZBFAFLISA-N 2 3 279.432 0.563 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1C ZINC000903915725 634694274 /nfs/dbraw/zinc/69/42/74/634694274.db2.gz BQLRRMMEHFFDAS-KBPBESRZSA-N 2 3 279.432 0.435 20 0 CCADHP [NH3+]CC1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904299395 634722726 /nfs/dbraw/zinc/72/27/26/634722726.db2.gz CEMOERFVYCEBHJ-UHFFFAOYSA-N 2 3 278.400 0.860 20 0 CCADHP C[C@@]1(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000904300037 634723572 /nfs/dbraw/zinc/72/35/72/634723572.db2.gz UPVCBGWPSAMSQP-UKRRQHHQSA-N 2 3 282.432 0.163 20 0 CCADHP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C1CC[NH2+]CC1 ZINC000873220630 646361642 /nfs/dbraw/zinc/36/16/42/646361642.db2.gz PUWSPZFLUXFAIZ-CHWSQXEVSA-N 2 3 282.432 0.161 20 0 CCADHP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873244074 646364656 /nfs/dbraw/zinc/36/46/56/646364656.db2.gz PXMHVMNQYYGXNP-NEPJUHHUSA-N 2 3 288.399 0.941 20 0 CCADHP C[C@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000925811910 648463382 /nfs/dbraw/zinc/46/33/82/648463382.db2.gz UKQMDSYJEZQWBN-JSGCOSHPSA-N 2 3 254.422 0.482 20 0 CCADHP C[C@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1C ZINC000925811910 648463386 /nfs/dbraw/zinc/46/33/86/648463386.db2.gz UKQMDSYJEZQWBN-JSGCOSHPSA-N 2 3 254.422 0.482 20 0 CCADHP [NH3+]C1CCN(CCN[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925816331 648464164 /nfs/dbraw/zinc/46/41/64/648464164.db2.gz DXSQIODNSDMNHL-ZIAGYGMSSA-N 2 3 254.422 0.659 20 0 CCADHP N[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C12CCC2 ZINC000925840016 648465100 /nfs/dbraw/zinc/46/51/00/648465100.db2.gz FQTMTOMVIUZXGH-GJZGRUSLSA-N 2 3 280.460 0.921 20 0 CCADHP CC1(C)NC[C@@H](C[N@@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)O1 ZINC001236077900 806543471 /nfs/dbraw/zinc/54/34/71/806543471.db2.gz DMBPMTSPQLMERZ-KGLIPLIRSA-N 2 3 282.432 0.066 20 0 CCADHP CC1(C)NC[C@@H](C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)O1 ZINC001236077900 806543481 /nfs/dbraw/zinc/54/34/81/806543481.db2.gz DMBPMTSPQLMERZ-KGLIPLIRSA-N 2 3 282.432 0.066 20 0 CCADHP C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001160443050 801942088 /nfs/dbraw/zinc/94/20/88/801942088.db2.gz BJIWHTDGOBLBNA-ZDUSSCGKSA-N 2 3 264.373 0.801 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060535 802079296 /nfs/dbraw/zinc/07/92/96/802079296.db2.gz CBYKRIUKKMGDHU-GRYCIOLGSA-N 2 3 256.394 0.171 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219952297 804456916 /nfs/dbraw/zinc/45/69/16/804456916.db2.gz RTBIUSUDUCITJP-CYBMUJFWSA-N 2 3 270.421 0.481 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001219980280 804462710 /nfs/dbraw/zinc/46/27/10/804462710.db2.gz FGSUZZPFSHUPHP-CABCVRRESA-N 2 3 298.475 0.894 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219980280 804462714 /nfs/dbraw/zinc/46/27/14/804462714.db2.gz FGSUZZPFSHUPHP-CABCVRRESA-N 2 3 298.475 0.894 20 0 CCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219978303 804463170 /nfs/dbraw/zinc/46/31/70/804463170.db2.gz KMBHLDNAVKVOTO-IIAWOOMASA-N 2 3 294.443 0.034 20 0 CCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001219978303 804463174 /nfs/dbraw/zinc/46/31/74/804463174.db2.gz KMBHLDNAVKVOTO-IIAWOOMASA-N 2 3 294.443 0.034 20 0 CCADHP [NH3+]CCCCNC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001221345495 804784435 /nfs/dbraw/zinc/78/44/35/804784435.db2.gz ZUKKEZKYMJJKCX-ZDUSSCGKSA-N 2 3 282.432 0.306 20 0 CCADHP [NH3+]CCCCNC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001221345495 804784439 /nfs/dbraw/zinc/78/44/39/804784439.db2.gz ZUKKEZKYMJJKCX-ZDUSSCGKSA-N 2 3 282.432 0.306 20 0 CCADHP [NH3+]CCCCNC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221345495 804784443 /nfs/dbraw/zinc/78/44/43/804784443.db2.gz ZUKKEZKYMJJKCX-ZDUSSCGKSA-N 2 3 282.432 0.306 20 0 CCADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CC(C)C)NC ZINC001221391080 804799222 /nfs/dbraw/zinc/79/92/22/804799222.db2.gz WLCAUWUONZGVPV-LBPRGKRZSA-N 2 3 285.436 0.684 20 0 CCADHP CCOC(=O)[C@@]12C[N@H+](CCC3C[NH2+]C3)C[C@@H]1CNCCC2 ZINC001222125449 804874413 /nfs/dbraw/zinc/87/44/13/804874413.db2.gz MIKNDHMGHLYAEX-HOCLYGCPSA-N 2 3 295.427 0.461 20 0 CCADHP CCOC(=O)[C@@]12C[N@@H+](CCC3C[NH2+]C3)C[C@@H]1CNCCC2 ZINC001222125449 804874423 /nfs/dbraw/zinc/87/44/23/804874423.db2.gz MIKNDHMGHLYAEX-HOCLYGCPSA-N 2 3 295.427 0.461 20 0 CCADHP CC[C@@H]1CC(NCCC2(O)C[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246116081 807158711 /nfs/dbraw/zinc/15/87/11/807158711.db2.gz DLCDMEYVHDKIHN-VXGBXAGGSA-N 2 3 255.406 0.610 20 0 CCADHP CC1(C)CC[NH2+]C[C@H]1N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246334150 807225426 /nfs/dbraw/zinc/22/54/26/807225426.db2.gz YYLFGJYIXWWAQR-VXGBXAGGSA-N 2 3 252.406 0.058 20 0 CCADHP CC[C@@H]1C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545822 807280062 /nfs/dbraw/zinc/28/00/62/807280062.db2.gz XLXBSUYYLZVLEH-MCIONIFRSA-N 2 3 255.406 0.693 20 0 CCADHP N[C@@H]1CC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1O ZINC001246556787 807286022 /nfs/dbraw/zinc/28/60/22/807286022.db2.gz DFWDNNAJBMGRKP-PIOWNMBXSA-N 2 3 267.417 0.693 20 0 CCADHP N[C@@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1O ZINC001246556787 807286027 /nfs/dbraw/zinc/28/60/27/807286027.db2.gz DFWDNNAJBMGRKP-PIOWNMBXSA-N 2 3 267.417 0.693 20 0 CCADHP [NH3+][C@@H]1CCN(C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1O ZINC001246556787 807286034 /nfs/dbraw/zinc/28/60/34/807286034.db2.gz DFWDNNAJBMGRKP-PIOWNMBXSA-N 2 3 267.417 0.693 20 0 CCADHP N[C@@H]1CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246560870 807291273 /nfs/dbraw/zinc/29/12/73/807291273.db2.gz UNMLPZQZVWSLGT-YNEHKIRRSA-N 2 3 253.390 0.303 20 0 CCADHP N[C@@H]1CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1O ZINC001246560870 807291276 /nfs/dbraw/zinc/29/12/76/807291276.db2.gz UNMLPZQZVWSLGT-YNEHKIRRSA-N 2 3 253.390 0.303 20 0 CCADHP [NH3+][C@@H]1CCN([C@H]2CSC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246585390 807306629 /nfs/dbraw/zinc/30/66/29/807306629.db2.gz JZPOCTPJVQFFIX-GMTAPVOTSA-N 2 3 259.394 0.595 20 0 CCADHP C[NH2+]C1CCC(N2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246647022 807345142 /nfs/dbraw/zinc/34/51/42/807345142.db2.gz YHEQPHUGIWZAOK-JXQTWKCFSA-N 2 3 252.406 0.154 20 0 CCADHP CN(C)CCN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448246 811643035 /nfs/dbraw/zinc/64/30/35/811643035.db2.gz ACBCRGZLYQIXQN-ZIAGYGMSSA-N 2 3 296.459 0.374 20 0 CCADHP C1CN(C2CC[NH2+]CC2)C[C@H]1[NH2+][C@@H]1CCCNC1 ZINC001246371309 839825055 /nfs/dbraw/zinc/82/50/55/839825055.db2.gz JFFDJGFCAZEJEO-OLZOCXBDSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246577240 840094970 /nfs/dbraw/zinc/09/49/70/840094970.db2.gz NUSIQBNMLUAYIS-ZIAGYGMSSA-N 2 3 267.417 0.958 20 0 CCADHP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246577240 840094975 /nfs/dbraw/zinc/09/49/75/840094975.db2.gz NUSIQBNMLUAYIS-ZIAGYGMSSA-N 2 3 267.417 0.958 20 0 CCADHP CC(C)(N)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247672 358385720 /nfs/dbraw/zinc/38/57/20/358385720.db2.gz BRLQATOPICRMCO-ZDUSSCGKSA-N 2 3 255.406 0.814 20 0 CCADHP NC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002785 358725556 /nfs/dbraw/zinc/72/55/56/358725556.db2.gz JIHAQSIADPFDJJ-ZIAGYGMSSA-N 2 3 267.417 0.673 20 0 CCADHP NC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC12CCOCC2 ZINC000569002785 358725559 /nfs/dbraw/zinc/72/55/59/358725559.db2.gz JIHAQSIADPFDJJ-ZIAGYGMSSA-N 2 3 267.417 0.673 20 0 CCADHP CN1CC[C@H]([NH2+]CCOCCC[NH3+])[C@H]2CCC[C@H]21 ZINC000629540602 369697294 /nfs/dbraw/zinc/69/72/94/369697294.db2.gz VFTKTAVFRMUBCF-HZSPNIEDSA-N 2 3 255.406 0.814 20 0 CCADHP C[C@H]1C[NH2+]CC[C@@H]1C[NH+]1CCC(NCCO)CC1 ZINC000635001955 372337723 /nfs/dbraw/zinc/33/77/23/372337723.db2.gz GBMIVPSMPPIAMS-QWHCGFSZSA-N 2 3 255.406 0.278 20 0 CCADHP C[C@H]1C[NH2+]CC[C@@H]1CN1CCC([NH2+]CCO)CC1 ZINC000635001955 372337731 /nfs/dbraw/zinc/33/77/31/372337731.db2.gz GBMIVPSMPPIAMS-QWHCGFSZSA-N 2 3 255.406 0.278 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414889680 389643864 /nfs/dbraw/zinc/64/38/64/389643864.db2.gz UAFPIBJIUGTQTK-ZNMIVQPWSA-N 2 3 266.433 0.402 20 0 CCADHP CN1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793261 390173138 /nfs/dbraw/zinc/17/31/38/390173138.db2.gz QYDVQSRXMLQENL-BRWVUGGUSA-N 2 3 294.487 0.992 20 0 CCADHP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423190186 287025422 /nfs/dbraw/zinc/02/54/22/287025422.db2.gz SCSSQZMIRXSKGL-ZIAGYGMSSA-N 2 3 254.422 0.402 20 0 CCADHP C[NH2+]CCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662265278 414702755 /nfs/dbraw/zinc/70/27/55/414702755.db2.gz PCBMMYNOELOXEP-AWEZNQCLSA-N 2 3 267.417 0.829 20 0 CCADHP C([C@H]1CCC2(CNC2)O1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662272698 414703499 /nfs/dbraw/zinc/70/34/99/414703499.db2.gz IKVDHIYGSBNZCW-HUUCEWRRSA-N 2 3 279.428 0.829 20 0 CCADHP C([C@@H]1CCC2(CNC2)O1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662272695 414703622 /nfs/dbraw/zinc/70/36/22/414703622.db2.gz IKVDHIYGSBNZCW-CABCVRRESA-N 2 3 279.428 0.829 20 0 CCADHP C[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1C[NH3+] ZINC000662283209 414705587 /nfs/dbraw/zinc/70/55/87/414705587.db2.gz SDCGYZOLQPOFNJ-FRRDWIJNSA-N 2 3 253.390 0.424 20 0 CCADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246955 414699303 /nfs/dbraw/zinc/69/93/03/414699303.db2.gz VQSXTECUKZOSRF-XQQFMLRXSA-N 2 3 253.390 0.567 20 0 CCADHP CNC[C@](C)(O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582611087 329116479 /nfs/dbraw/zinc/11/64/79/329116479.db2.gz LUAPDNPZDAIUBI-KGLIPLIRSA-N 2 3 255.406 0.278 20 0 CCADHP C(C[N@@H+]1CC[C@@H](N2CCNCC2)C1)C1CC[NH2+]CC1 ZINC000575869314 335126333 /nfs/dbraw/zinc/12/63/33/335126333.db2.gz NRMJAFWXQCYCHR-OAHLLOKOSA-N 2 3 266.433 0.356 20 0 CCADHP C(C[N@H+]1CC[C@@H](N2CCNCC2)C1)C1CC[NH2+]CC1 ZINC000575869314 335126334 /nfs/dbraw/zinc/12/63/34/335126334.db2.gz NRMJAFWXQCYCHR-OAHLLOKOSA-N 2 3 266.433 0.356 20 0 CCADHP CC[NH+](CC)CCO[C@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC000577377491 335344849 /nfs/dbraw/zinc/34/48/49/335344849.db2.gz LCZUPMSOGOGSOM-INIZCTEOSA-N 2 3 298.475 0.324 20 0 CCADHP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369279 614704291 /nfs/dbraw/zinc/70/42/91/614704291.db2.gz JNTUGKRTXVHRHG-NWDGAFQWSA-N 2 3 253.390 0.343 20 0 CCADHP CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369279 614704292 /nfs/dbraw/zinc/70/42/92/614704292.db2.gz JNTUGKRTXVHRHG-NWDGAFQWSA-N 2 3 253.390 0.343 20 0 CCADHP c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000903918715 634685920 /nfs/dbraw/zinc/68/59/20/634685920.db2.gz GACRYMULIGHJAV-JSGCOSHPSA-N 2 3 290.415 0.434 20 0 CCADHP C[C@H](NCCCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000925842361 631388731 /nfs/dbraw/zinc/38/87/31/631388731.db2.gz MFRXBXYCTTYXGU-LSDHHAIUSA-N 2 3 268.449 0.792 20 0 CCADHP C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCC[NH2+]C1 ZINC000925848987 631398632 /nfs/dbraw/zinc/39/86/32/631398632.db2.gz MMBDZAPMGPMIMR-IHRRRGAJSA-N 2 3 295.427 0.649 20 0 CCADHP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000923375884 640109899 /nfs/dbraw/zinc/10/98/99/640109899.db2.gz QYPVUIGZNLZVSE-YTFOTSKYSA-N 2 3 283.416 0.055 20 0 CCADHP C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000873293485 646372043 /nfs/dbraw/zinc/37/20/43/646372043.db2.gz KWSIFWIRQSSRDB-AAEUAGOBSA-N 2 3 253.390 0.343 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1NCCC[N@@H+]1CCCN(C)CC1 ZINC000925609276 648447060 /nfs/dbraw/zinc/44/70/60/648447060.db2.gz RRSJZPZCDMQNDH-LSDHHAIUSA-N 2 3 268.449 0.744 20 0 CCADHP C[C@@H]1[NH2+]CCC[C@H]1NCCC[N@H+]1CCCN(C)CC1 ZINC000925609276 648447064 /nfs/dbraw/zinc/44/70/64/648447064.db2.gz RRSJZPZCDMQNDH-LSDHHAIUSA-N 2 3 268.449 0.744 20 0 CCADHP CC[NH+]1CCC(NCCN2CCC([NH3+])CC2)CC1 ZINC000925810100 648463289 /nfs/dbraw/zinc/46/32/89/648463289.db2.gz VSHYIGZQLYPGLT-UHFFFAOYSA-N 2 3 254.422 0.483 20 0 CCADHP CN1CCC([N@H+](CCCC[NH3+])C2CCNCC2)CC1 ZINC001237038045 806633696 /nfs/dbraw/zinc/63/36/96/806633696.db2.gz PUUMQMXVHKMCRU-UHFFFAOYSA-N 2 3 268.449 0.874 20 0 CCADHP CN1CCC([N@@H+](CCCC[NH3+])C2CCNCC2)CC1 ZINC001237038045 806633699 /nfs/dbraw/zinc/63/36/99/806633699.db2.gz PUUMQMXVHKMCRU-UHFFFAOYSA-N 2 3 268.449 0.874 20 0 CCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219640851 804386604 /nfs/dbraw/zinc/38/66/04/804386604.db2.gz CJWIGIGTUCEGFM-MELADBBJSA-N 2 3 294.443 0.222 20 0 CCADHP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219640851 804386613 /nfs/dbraw/zinc/38/66/13/804386613.db2.gz CJWIGIGTUCEGFM-MELADBBJSA-N 2 3 294.443 0.222 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219776203 804421704 /nfs/dbraw/zinc/42/17/04/804421704.db2.gz XLERCWGIPMONLE-AWEZNQCLSA-N 2 3 296.459 0.694 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001219980281 804465012 /nfs/dbraw/zinc/46/50/12/804465012.db2.gz FGSUZZPFSHUPHP-GJZGRUSLSA-N 2 3 298.475 0.894 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219980281 804465016 /nfs/dbraw/zinc/46/50/16/804465016.db2.gz FGSUZZPFSHUPHP-GJZGRUSLSA-N 2 3 298.475 0.894 20 0 CCADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220857729 804682431 /nfs/dbraw/zinc/68/24/31/804682431.db2.gz PTZWHKNZFYOIIF-RYUDHWBXSA-N 2 3 282.432 0.350 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917338 804699243 /nfs/dbraw/zinc/69/92/43/804699243.db2.gz WOQXMRCZJIQWKL-GJZGRUSLSA-N 2 3 296.459 0.823 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917338 804699249 /nfs/dbraw/zinc/69/92/49/804699249.db2.gz WOQXMRCZJIQWKL-GJZGRUSLSA-N 2 3 296.459 0.823 20 0 CCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001221390999 804799531 /nfs/dbraw/zinc/79/95/31/804799531.db2.gz JSQHOVHGKWZWMR-ZDUSSCGKSA-N 2 3 269.393 0.050 20 0 CCADHP O[C@@]1(C[NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246078440 807143901 /nfs/dbraw/zinc/14/39/01/807143901.db2.gz ASIYGRNIQDUDRF-CBBWQLFWSA-N 2 3 285.407 0.561 20 0 CCADHP CN1CCC[C@H]1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246230317 807193299 /nfs/dbraw/zinc/19/32/99/807193299.db2.gz AIESVABIRZTBDB-OLZOCXBDSA-N 2 3 252.406 0.154 20 0 CCADHP [NH3+][C@@H]1CCN([C@@H]2CSC3(C[NH2+]C3)C2)CC[C@H]1F ZINC001246585391 807305903 /nfs/dbraw/zinc/30/59/03/807305903.db2.gz JZPOCTPJVQFFIX-HBNTYKKESA-N 2 3 259.394 0.595 20 0 CCADHP C[C@@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592459 807313002 /nfs/dbraw/zinc/31/30/02/807313002.db2.gz BPVYGRLSYRJICR-OLZOCXBDSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246592459 807312993 /nfs/dbraw/zinc/31/29/93/807312993.db2.gz BPVYGRLSYRJICR-OLZOCXBDSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592459 807313011 /nfs/dbraw/zinc/31/30/11/807313011.db2.gz BPVYGRLSYRJICR-OLZOCXBDSA-N 2 3 252.406 0.154 20 0 CCADHP C[C@@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246602406 807318583 /nfs/dbraw/zinc/31/85/83/807318583.db2.gz KSOANUAWRNEBTH-BTTYYORXSA-N 2 3 266.433 0.543 20 0 CCADHP C[C@@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H](C)N1 ZINC001246602406 807318593 /nfs/dbraw/zinc/31/85/93/807318593.db2.gz KSOANUAWRNEBTH-BTTYYORXSA-N 2 3 266.433 0.543 20 0 CCADHP C[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)C[C@H](C)[NH2+]1 ZINC001246602406 807318602 /nfs/dbraw/zinc/31/86/02/807318602.db2.gz KSOANUAWRNEBTH-BTTYYORXSA-N 2 3 266.433 0.543 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620207 807327745 /nfs/dbraw/zinc/32/77/45/807327745.db2.gz WOEUYEOMOUOTIT-LTIDMASMSA-N 2 3 292.471 0.935 20 0 CCADHP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCN[C@H]3CCNCC[C@@H]31)C2 ZINC001246620207 807327754 /nfs/dbraw/zinc/32/77/54/807327754.db2.gz WOEUYEOMOUOTIT-LTIDMASMSA-N 2 3 292.471 0.935 20 0 CCADHP C1NCC12C[C@@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCO2 ZINC001246930399 807432338 /nfs/dbraw/zinc/43/23/38/807432338.db2.gz JBDGQAKZHZOZNU-MJBXVCDLSA-N 2 3 265.401 0.439 20 0 CCADHP C1NCC12C[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCO2 ZINC001246930399 807432340 /nfs/dbraw/zinc/43/23/40/807432340.db2.gz JBDGQAKZHZOZNU-MJBXVCDLSA-N 2 3 265.401 0.439 20 0 CCADHP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169123023 836139343 /nfs/dbraw/zinc/13/93/43/836139343.db2.gz HOKLACBOVIPOBY-FQUUOJAGSA-N 2 3 282.432 0.445 20 0 CCADHP F[C@@]1(CN[C@@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111469 839622340 /nfs/dbraw/zinc/62/23/40/839622340.db2.gz JCSRKVIHQHVPLH-OLZOCXBDSA-N 2 3 270.396 0.152 20 0 CCADHP CC(C)CN1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246415834 899865202 /nfs/dbraw/zinc/86/52/02/899865202.db2.gz LGODVTRJNVHYKH-AWEZNQCLSA-N 2 3 284.448 0.679 20 0 CCADHP C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC001332455661 918173647 /nfs/dbraw/zinc/17/36/47/918173647.db2.gz IVWNICZTBQFGHA-FPMFFAJLSA-N 2 3 252.406 0.234 20 0 CCADHP C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC001332455661 918173657 /nfs/dbraw/zinc/17/36/57/918173657.db2.gz IVWNICZTBQFGHA-FPMFFAJLSA-N 2 3 252.406 0.234 20 0 CCADHP C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001332455661 918173665 /nfs/dbraw/zinc/17/36/65/918173665.db2.gz IVWNICZTBQFGHA-FPMFFAJLSA-N 2 3 252.406 0.234 20 0 CCADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCNC2)CC[NH2+]CC1 ZINC000423213574 358198373 /nfs/dbraw/zinc/19/83/73/358198373.db2.gz NPCJKCPJCQNHRW-UONOGXRCSA-N 2 3 297.443 0.897 20 0 CCADHP CCOC(=O)C1([C@H](C)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423213574 358198377 /nfs/dbraw/zinc/19/83/77/358198377.db2.gz NPCJKCPJCQNHRW-UONOGXRCSA-N 2 3 297.443 0.897 20 0 CCADHP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000414786350 296000609 /nfs/dbraw/zinc/00/06/09/296000609.db2.gz ATYXFRUJAPDNDY-KBPBESRZSA-N 2 3 254.422 0.402 20 0 CCADHP C[NH2+]CCC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000567049257 291455090 /nfs/dbraw/zinc/45/50/90/291455090.db2.gz IAXZEKBGBGSONY-UHFFFAOYSA-N 2 3 254.422 0.213 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635011155 372341524 /nfs/dbraw/zinc/34/15/24/372341524.db2.gz MPOILPNEMJXJJI-OLZOCXBDSA-N 2 3 261.373 0.783 20 0 CCADHP CC[N@H+](C)C[C@@H](O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755446 375980265 /nfs/dbraw/zinc/98/02/65/375980265.db2.gz LLCHWLZECHFGGP-CQSZACIVSA-N 2 3 269.433 0.717 20 0 CCADHP CC[N@@H+](C)C[C@@H](O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755446 375980272 /nfs/dbraw/zinc/98/02/72/375980272.db2.gz LLCHWLZECHFGGP-CQSZACIVSA-N 2 3 269.433 0.717 20 0 CCADHP [NH3+]CCOCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000357066850 144056616 /nfs/dbraw/zinc/05/66/16/144056616.db2.gz CTBWZRQILUVXII-UHFFFAOYSA-N 2 3 285.432 0.539 20 0 CCADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)C1 ZINC000652346282 412033361 /nfs/dbraw/zinc/03/33/61/412033361.db2.gz XTCAZJPONBTFIZ-YJNKXOJESA-N 2 3 267.417 0.814 20 0 CCADHP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662273048 414703883 /nfs/dbraw/zinc/70/38/83/414703883.db2.gz RJMMQWAOUGENJB-STQMWFEESA-N 2 3 253.390 0.568 20 0 CCADHP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662273048 414703884 /nfs/dbraw/zinc/70/38/84/414703884.db2.gz RJMMQWAOUGENJB-STQMWFEESA-N 2 3 253.390 0.568 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000663507155 415079747 /nfs/dbraw/zinc/07/97/47/415079747.db2.gz ZACHPZWEBDKHIR-DZGCQCFKSA-N 2 3 296.459 0.565 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000923333484 613233962 /nfs/dbraw/zinc/23/39/62/613233962.db2.gz WKSFAURVDKXGBF-AGIUHOORSA-N 2 3 251.374 0.191 20 0 CCADHP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000923333484 613233965 /nfs/dbraw/zinc/23/39/65/613233965.db2.gz WKSFAURVDKXGBF-AGIUHOORSA-N 2 3 251.374 0.191 20 0 CCADHP CCN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000923334312 615066343 /nfs/dbraw/zinc/06/63/43/615066343.db2.gz CBOBPGNLHPFHCD-ZIAGYGMSSA-N 2 3 267.417 0.829 20 0 CCADHP C[NH2+]CCCN(CCOC)CC1CC[NH+](C)CC1 ZINC000866673328 616942697 /nfs/dbraw/zinc/94/26/97/616942697.db2.gz UVRODZHXHOJCFY-UHFFFAOYSA-N 2 3 257.422 0.886 20 0 CCADHP [NH3+]CCN1CCC(N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000904389432 634738470 /nfs/dbraw/zinc/73/84/70/634738470.db2.gz XXUFOGTYUUWIKL-OAHLLOKOSA-N 2 3 296.459 0.158 20 0 CCADHP [NH3+]CCN1CCC(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000904389431 634738831 /nfs/dbraw/zinc/73/88/31/634738831.db2.gz XXUFOGTYUUWIKL-HNNXBMFYSA-N 2 3 296.459 0.158 20 0 CCADHP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1C[NH3+] ZINC000904409618 634744357 /nfs/dbraw/zinc/74/43/57/634744357.db2.gz DOEVJSYOQYMEOJ-RDBSUJKOSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1C[NH3+] ZINC000904409618 634744363 /nfs/dbraw/zinc/74/43/63/634744363.db2.gz DOEVJSYOQYMEOJ-RDBSUJKOSA-N 2 3 282.432 0.100 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925790519 648462224 /nfs/dbraw/zinc/46/22/24/648462224.db2.gz INEJPJLNZGTROE-FQKPHLNHSA-N 2 3 267.417 0.589 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925848249 648466105 /nfs/dbraw/zinc/46/61/05/648466105.db2.gz DCDVNZYEOZWARB-UPJWGTAASA-N 2 3 281.400 0.531 20 0 CCADHP Nc1cc[nH+]c(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)c1 ZINC001158258078 801607166 /nfs/dbraw/zinc/60/71/66/801607166.db2.gz PTNXEZBSYVIQEX-LBPRGKRZSA-N 2 3 261.373 0.666 20 0 CCADHP Nc1cc[nH+]c(N2CCC([N@H+]3CC[C@H](N)C3)CC2)c1 ZINC001158258078 801607168 /nfs/dbraw/zinc/60/71/68/801607168.db2.gz PTNXEZBSYVIQEX-LBPRGKRZSA-N 2 3 261.373 0.666 20 0 CCADHP Cc1c[nH+]c(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)cc1N ZINC001158271294 801610789 /nfs/dbraw/zinc/61/07/89/801610789.db2.gz ZMRJKJDGWZZTDX-GFCCVEGCSA-N 2 3 275.400 0.974 20 0 CCADHP Cc1c[nH+]c(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)cc1N ZINC001158271294 801610793 /nfs/dbraw/zinc/61/07/93/801610793.db2.gz ZMRJKJDGWZZTDX-GFCCVEGCSA-N 2 3 275.400 0.974 20 0 CCADHP C[NH+]1CCC2(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)CC1 ZINC001160991999 802058046 /nfs/dbraw/zinc/05/80/46/802058046.db2.gz HGXGQTOUBMZQCY-AWEZNQCLSA-N 2 3 296.459 0.777 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060524 802080264 /nfs/dbraw/zinc/08/02/64/802080264.db2.gz CAWQRRSSZUAFNX-IHRRRGAJSA-N 2 3 284.448 0.774 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220562 802110482 /nfs/dbraw/zinc/11/04/82/802110482.db2.gz DACDRBVCXIMGQB-RFQIPJPRSA-N 2 3 282.432 0.158 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]12 ZINC001161412263 802147679 /nfs/dbraw/zinc/14/76/79/802147679.db2.gz IHPGXODSHJSRID-RQJABVFESA-N 2 3 292.427 0.056 20 0 CCADHP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]12 ZINC001161412263 802147680 /nfs/dbraw/zinc/14/76/80/802147680.db2.gz IHPGXODSHJSRID-RQJABVFESA-N 2 3 292.427 0.056 20 0 CCADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220062028 804490282 /nfs/dbraw/zinc/49/02/82/804490282.db2.gz JROQADDFYRZEJY-STQMWFEESA-N 2 3 270.421 0.433 20 0 CCADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220062028 804490287 /nfs/dbraw/zinc/49/02/87/804490287.db2.gz JROQADDFYRZEJY-STQMWFEESA-N 2 3 270.421 0.433 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163530 804523602 /nfs/dbraw/zinc/52/36/02/804523602.db2.gz RGJGDWOEOWKHKL-VNHYZAJKSA-N 2 3 282.432 0.481 20 0 CCADHP N[C@H](C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001220681235 804649091 /nfs/dbraw/zinc/64/90/91/804649091.db2.gz ZPBDCOFNDOGZBS-DGAVXFQQSA-N 2 3 280.416 0.103 20 0 CCADHP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001221403359 804805564 /nfs/dbraw/zinc/80/55/64/804805564.db2.gz RXQQIEZBHSWQHD-JXQTWKCFSA-N 2 3 294.443 0.032 20 0 CCADHP OC1(C[N@@H+]2CCC[C@@]23CCCNC3)CC[NH2+]CC1 ZINC001246026179 807123521 /nfs/dbraw/zinc/12/35/21/807123521.db2.gz DDNYOUSZPRIDPH-CYBMUJFWSA-N 2 3 253.390 0.319 20 0 CCADHP OC1(C[N@H+]2CCC[C@@]23CCCNC3)CC[NH2+]CC1 ZINC001246026179 807123524 /nfs/dbraw/zinc/12/35/24/807123524.db2.gz DDNYOUSZPRIDPH-CYBMUJFWSA-N 2 3 253.390 0.319 20 0 CCADHP C1CC2(C[C@@H]1[NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC[NH2+]CC2 ZINC001246149042 807167331 /nfs/dbraw/zinc/16/73/31/807167331.db2.gz QBWHMUGFFWDLIZ-BARDWOONSA-N 2 3 279.428 0.733 20 0 CCADHP C[C@H]1CCCCN1CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246195804 807183035 /nfs/dbraw/zinc/18/30/35/807183035.db2.gz PXRBLTODLCJVSV-GJZGRUSLSA-N 2 3 280.460 0.935 20 0 CCADHP CN(CC[NH3+])CC[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246285268 807209091 /nfs/dbraw/zinc/20/90/91/807209091.db2.gz QVENDEBCKMUEPL-SJORKVTESA-N 2 3 290.455 0.830 20 0 CCADHP CCOC(=O)C1(C[NH2+][C@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246321185 807221412 /nfs/dbraw/zinc/22/14/12/807221412.db2.gz VVDQRORQHDEGFA-OLZOCXBDSA-N 2 3 283.416 0.649 20 0 CCADHP CCOC(=O)C1(CN[C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246321185 807221416 /nfs/dbraw/zinc/22/14/16/807221416.db2.gz VVDQRORQHDEGFA-OLZOCXBDSA-N 2 3 283.416 0.649 20 0 CCADHP CC[C@@H]1C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545821 807281199 /nfs/dbraw/zinc/28/11/99/807281199.db2.gz XLXBSUYYLZVLEH-HZSPNIEDSA-N 2 3 255.406 0.693 20 0 CCADHP C[C@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615370 807323664 /nfs/dbraw/zinc/32/36/64/807323664.db2.gz SEJHGDOQLUIBOF-KBPBESRZSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@H]1C[C@@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615370 807323673 /nfs/dbraw/zinc/32/36/73/807323673.db2.gz SEJHGDOQLUIBOF-KBPBESRZSA-N 2 3 267.417 0.829 20 0 CCADHP C[C@H]1C[C@@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CCN1 ZINC001246615370 807323681 /nfs/dbraw/zinc/32/36/81/807323681.db2.gz SEJHGDOQLUIBOF-KBPBESRZSA-N 2 3 267.417 0.829 20 0 CCADHP [NH3+]CCOCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679670 808547794 /nfs/dbraw/zinc/54/77/94/808547794.db2.gz QRIFZIILPGDJGO-UHFFFAOYSA-N 2 3 271.405 0.195 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3)C[C@@H]21 ZINC000382234107 811192207 /nfs/dbraw/zinc/19/22/07/811192207.db2.gz VWAOYEKVTZHJLX-APIJFGDWSA-N 2 3 267.417 0.502 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)CN3CCCC3)C[C@@H]21 ZINC000382234107 811192211 /nfs/dbraw/zinc/19/22/11/811192211.db2.gz VWAOYEKVTZHJLX-APIJFGDWSA-N 2 3 267.417 0.502 20 0 CCADHP N=C(N)N(C(=O)[C@@H]([NH3+])CCC[NH3+])c1ccccc1F ZINC001220106518 811715485 /nfs/dbraw/zinc/71/54/85/811715485.db2.gz PYHNTWHJRXNOEU-VIFPVBQESA-N 2 3 267.308 0.118 20 0 CCADHP NC(=[NH2+])N(CCCC[NH3+])C(=O)C12CCCN1CCC2 ZINC001183558478 844036124 /nfs/dbraw/zinc/03/61/24/844036124.db2.gz FSRIIHWYTQHVCX-UHFFFAOYSA-N 2 3 267.377 0.076 20 0 CCADHP O[C@]1(CN2CCC(C3CC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC001246059188 839589061 /nfs/dbraw/zinc/58/90/61/839589061.db2.gz YMSYHQQUQDCBOC-MRXNPFEDSA-N 2 3 281.444 0.813 20 0 CCADHP N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001119632374 856795390 /nfs/dbraw/zinc/79/53/90/856795390.db2.gz SPBYHWSTCWBEKI-UTUOFQBUSA-N 2 3 267.373 0.141 20 0 CCADHP [NH3+]CC[C@H]1CCCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001334339655 919508370 /nfs/dbraw/zinc/50/83/70/919508370.db2.gz XQJHWHZNAJRDAB-OLZOCXBDSA-N 2 3 253.390 0.568 20 0 CCADHP C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1C[NH2+]C1 ZINC000635010547 372342428 /nfs/dbraw/zinc/34/24/28/372342428.db2.gz KECSDPJEAVYKRH-NSHDSACASA-N 2 3 261.373 0.511 20 0 CCADHP CC[NH+]1CCN(CCCN[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422852782 389491695 /nfs/dbraw/zinc/49/16/95/389491695.db2.gz BHLDZEGGGKCWCU-GJZGRUSLSA-N 2 3 268.449 0.744 20 0 CCADHP CC[N@@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000414888016 389644282 /nfs/dbraw/zinc/64/42/82/389644282.db2.gz RPVVRJHWXLTDTN-KBPBESRZSA-N 2 3 254.422 0.212 20 0 CCADHP CC[N@H+]1CC[C@H](NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000414888016 389644286 /nfs/dbraw/zinc/64/42/86/389644286.db2.gz RPVVRJHWXLTDTN-KBPBESRZSA-N 2 3 254.422 0.212 20 0 CCADHP CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000565999898 390564946 /nfs/dbraw/zinc/56/49/46/390564946.db2.gz QPIXCPXCYVSYIE-CYBMUJFWSA-N 2 3 287.452 0.119 20 0 CCADHP C[N@@H+]1CCC[C@@H](N2CCN(CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000649414820 397608844 /nfs/dbraw/zinc/60/88/44/397608844.db2.gz ZOBJVLLBDXXCLV-HZPDHXFCSA-N 2 3 280.460 0.698 20 0 CCADHP C[N@H+]1CCC[C@@H](N2CCN(CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000649414820 397608845 /nfs/dbraw/zinc/60/88/45/397608845.db2.gz ZOBJVLLBDXXCLV-HZPDHXFCSA-N 2 3 280.460 0.698 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000665289170 415588675 /nfs/dbraw/zinc/58/86/75/415588675.db2.gz IIAPDPOVBHYRSG-DZGCQCFKSA-N 2 3 296.459 0.565 20 0 CCADHP COC[C@]1(CNC[C@@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000414943154 293293006 /nfs/dbraw/zinc/29/30/06/293293006.db2.gz CQEGGGOFBQSMHC-MGPQQGTHSA-N 2 3 255.406 0.733 20 0 CCADHP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCC([NH3+])CC1 ZINC000925817397 617178356 /nfs/dbraw/zinc/17/83/56/617178356.db2.gz RHKUJLLQMCELHS-PBHICJAKSA-N 2 3 290.455 0.958 20 0 CCADHP C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693203 613223809 /nfs/dbraw/zinc/22/38/09/613223809.db2.gz PQIMDBBCNLTXRD-JKSUJKDBSA-N 2 3 280.460 0.650 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000925813382 616413980 /nfs/dbraw/zinc/41/39/80/616413980.db2.gz UQMKRSBVNRCQSC-PMPSAXMXSA-N 2 3 280.460 0.872 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000925813382 616413981 /nfs/dbraw/zinc/41/39/81/616413981.db2.gz UQMKRSBVNRCQSC-PMPSAXMXSA-N 2 3 280.460 0.872 20 0 CCADHP COCCC1([NH2+]CC2CC[NH2+]CC2)CCNCC1 ZINC000873224317 616850813 /nfs/dbraw/zinc/85/08/13/616850813.db2.gz AXQRLKKHIUMUDQ-UHFFFAOYSA-N 2 3 255.406 0.734 20 0 CCADHP C[NH2+]CC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903873467 616938489 /nfs/dbraw/zinc/93/84/89/616938489.db2.gz IJIMHRKLHBTNNA-HNNXBMFYSA-N 2 3 293.459 0.777 20 0 CCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000903453982 634570688 /nfs/dbraw/zinc/57/06/88/634570688.db2.gz QSIBKFLLJHRJOW-BEAPCOKYSA-N 2 3 267.417 0.670 20 0 CCADHP [NH3+]CCN1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000904359070 634734316 /nfs/dbraw/zinc/73/43/16/634734316.db2.gz YDTBRYAOWJOAFD-CQSZACIVSA-N 2 3 266.433 0.674 20 0 CCADHP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C1CC[NH2+]CC1 ZINC000873220632 646360970 /nfs/dbraw/zinc/36/09/70/646360970.db2.gz PUWSPZFLUXFAIZ-QWHCGFSZSA-N 2 3 282.432 0.161 20 0 CCADHP OC1(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC[NH2+]CC1 ZINC001246057667 807135676 /nfs/dbraw/zinc/13/56/76/807135676.db2.gz BXEKIPADYMOVIK-CHWSQXEVSA-N 2 3 253.390 0.175 20 0 CCADHP CC1(C)[NH2+]C[C@@H](CN2CCC3(CC[C@@H]3[NH3+])CC2)O1 ZINC001237355983 806655168 /nfs/dbraw/zinc/65/51/68/806655168.db2.gz FIKLXOXNEPHZGD-RYUDHWBXSA-N 2 3 253.390 0.914 20 0 CCADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157844920 801499060 /nfs/dbraw/zinc/49/90/60/801499060.db2.gz YMQFXTDIPZWUKD-MGPQQGTHSA-N 2 3 294.443 0.446 20 0 CCADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157844920 801499064 /nfs/dbraw/zinc/49/90/64/801499064.db2.gz YMQFXTDIPZWUKD-MGPQQGTHSA-N 2 3 294.443 0.446 20 0 CCADHP Nc1cc[nH+]c(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)c1 ZINC001158258077 801607512 /nfs/dbraw/zinc/60/75/12/801607512.db2.gz PTNXEZBSYVIQEX-GFCCVEGCSA-N 2 3 261.373 0.666 20 0 CCADHP Nc1cc[nH+]c(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)c1 ZINC001158258077 801607517 /nfs/dbraw/zinc/60/75/17/801607517.db2.gz PTNXEZBSYVIQEX-GFCCVEGCSA-N 2 3 261.373 0.666 20 0 CCADHP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327448 801621421 /nfs/dbraw/zinc/62/14/21/801621421.db2.gz ICRIIXPZKHZOQG-SOUVJXGZSA-N 2 3 288.395 0.150 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058391 802080245 /nfs/dbraw/zinc/08/02/45/802080245.db2.gz TWFQLFBZDXXEPS-IHRRRGAJSA-N 2 3 294.443 0.589 20 0 CCADHP CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058391 802080250 /nfs/dbraw/zinc/08/02/50/802080250.db2.gz TWFQLFBZDXXEPS-IHRRRGAJSA-N 2 3 294.443 0.589 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc3c(c2)CNC3)CC1 ZINC001205249643 803131689 /nfs/dbraw/zinc/13/16/89/803131689.db2.gz YEUGZBGXAFCHLP-INIZCTEOSA-N 2 3 275.396 0.966 20 0 CCADHP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc3c(c2)CNC3)CC1 ZINC001205249643 803131690 /nfs/dbraw/zinc/13/16/90/803131690.db2.gz YEUGZBGXAFCHLP-INIZCTEOSA-N 2 3 275.396 0.966 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219685307 804403872 /nfs/dbraw/zinc/40/38/72/804403872.db2.gz ZPFMRBSWCJOZQR-MCIONIFRSA-N 2 3 284.448 0.596 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219921652 804448709 /nfs/dbraw/zinc/44/87/09/804448709.db2.gz XCUCZTGFGGSSTM-ZDUSSCGKSA-N 2 3 270.421 0.161 20 0 CCADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159685 804522499 /nfs/dbraw/zinc/52/24/99/804522499.db2.gz QVCPNUBIWQRYTB-MBNYWOFBSA-N 2 3 268.405 0.091 20 0 CCADHP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220331956 804576164 /nfs/dbraw/zinc/57/61/64/804576164.db2.gz GSZMPRLTPBYGPL-KGLIPLIRSA-N 2 3 284.448 0.679 20 0 CCADHP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220334009 804577160 /nfs/dbraw/zinc/57/71/60/804577160.db2.gz YWUYVFSRMQGHLZ-STQMWFEESA-N 2 3 270.421 0.289 20 0 CCADHP N[C@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)C1CC[NH2+]CC1 ZINC001220779342 804665693 /nfs/dbraw/zinc/66/56/93/804665693.db2.gz RPHJBFNWFADUKW-CFVMTHIKSA-N 2 3 280.416 0.234 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001220854916 804681177 /nfs/dbraw/zinc/68/11/77/804681177.db2.gz DNUHQCKLNWQWGB-ZDUSSCGKSA-N 2 3 264.373 0.218 20 0 CCADHP C([C@H]1CCC[NH2+]C1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222085686 804864068 /nfs/dbraw/zinc/86/40/68/804864068.db2.gz IGJZVRKDXTUABP-ZDUSSCGKSA-N 2 3 252.406 0.013 20 0 CCADHP CCCOC[C@H](O)CNCCC[NH2+]CCCC[NH3+] ZINC001246010376 807114806 /nfs/dbraw/zinc/11/48/06/807114806.db2.gz MXEJWZDLIMHFEP-CYBMUJFWSA-N 2 3 261.410 0.082 20 0 CCADHP O[C@@]1(C[NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNC[C@@H]1F ZINC001246078438 807144174 /nfs/dbraw/zinc/14/41/74/807144174.db2.gz ASIYGRNIQDUDRF-BYNSBNAKSA-N 2 3 285.407 0.561 20 0 CCADHP C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1 ZINC001246125949 807160283 /nfs/dbraw/zinc/16/02/83/807160283.db2.gz FNRQHYFLSQSNAJ-CRWXNKLISA-N 2 3 252.406 0.010 20 0 CCADHP C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)CN1 ZINC001246136757 807162762 /nfs/dbraw/zinc/16/27/62/807162762.db2.gz DVTQLZAZMNRHCJ-HIFRSBDPSA-N 2 3 280.460 0.933 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246156443 807170904 /nfs/dbraw/zinc/17/09/04/807170904.db2.gz LSZVIFQHZVRZNG-QPSCCSFWSA-N 2 3 267.417 0.875 20 0 CCADHP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3)CCN2 ZINC001246335555 807224936 /nfs/dbraw/zinc/22/49/36/807224936.db2.gz YUZOAGCQJOEFRG-RFQIPJPRSA-N 2 3 264.417 0.343 20 0 CCADHP CC1(C)CC[NH2+]C[C@@H]1N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246334144 807225678 /nfs/dbraw/zinc/22/56/78/807225678.db2.gz YYLFGJYIXWWAQR-NEPJUHHUSA-N 2 3 252.406 0.058 20 0 CCADHP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246419524 807248437 /nfs/dbraw/zinc/24/84/37/807248437.db2.gz WCQZMIXJWCSNKV-NEPJUHHUSA-N 2 3 268.405 0.234 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246418606 807248999 /nfs/dbraw/zinc/24/89/99/807248999.db2.gz RXVRTPNKRQAWLC-YDHLFZDLSA-N 2 3 282.432 0.481 20 0 CCADHP C[C@@H]1CC[C@H](CN)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588871 807309146 /nfs/dbraw/zinc/30/91/46/807309146.db2.gz BCVFBYQPAQYEBU-UPJWGTAASA-N 2 3 252.406 0.140 20 0 CCADHP C[C@@H]1CC[C@H](CN)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246588871 807309153 /nfs/dbraw/zinc/30/91/53/807309153.db2.gz BCVFBYQPAQYEBU-UPJWGTAASA-N 2 3 252.406 0.140 20 0 CCADHP NC1([C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CF)CC1 ZINC001246695992 807358153 /nfs/dbraw/zinc/35/81/53/807358153.db2.gz UNCRHMAAQLKWIM-RWMBFGLXSA-N 2 3 282.407 0.089 20 0 CCADHP NC1([C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CF)CC1 ZINC001246695992 807358162 /nfs/dbraw/zinc/35/81/62/807358162.db2.gz UNCRHMAAQLKWIM-RWMBFGLXSA-N 2 3 282.407 0.089 20 0 CCADHP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747209 807369754 /nfs/dbraw/zinc/36/97/54/807369754.db2.gz KNSCUKTVINIGKI-FXUDXRNXSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CCN1 ZINC001246747209 807369763 /nfs/dbraw/zinc/36/97/63/807369763.db2.gz KNSCUKTVINIGKI-FXUDXRNXSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@@H]1C[C@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963360 807442304 /nfs/dbraw/zinc/44/23/04/807442304.db2.gz AGYZMQLORCDVEG-UMVBOHGHSA-N 2 3 266.433 0.624 20 0 CCADHP [NH3+]CCCOCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001261837185 809104559 /nfs/dbraw/zinc/10/45/59/809104559.db2.gz WVESOOSSIUWMQS-HZSPNIEDSA-N 2 3 271.405 0.099 20 0 CCADHP CN(CCCCCC[NH3+])C[C@H](O)C[NH+]1CCCC1 ZINC000710781997 819838803 /nfs/dbraw/zinc/83/88/03/819838803.db2.gz QWLCCARGEQHULN-AWEZNQCLSA-N 2 3 257.422 0.894 20 0 CCADHP O[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246229330 839710018 /nfs/dbraw/zinc/71/00/18/839710018.db2.gz ORBVEZYQUCPVPV-QNMSZWNNSA-N 2 3 253.390 0.220 20 0 CCADHP [NH3+]C[C@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246545217 839959198 /nfs/dbraw/zinc/95/91/98/839959198.db2.gz UXHXGZUKLUSVLS-PIGZVRMJSA-N 2 3 253.390 0.445 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCC1 ZINC000640467239 376383450 /nfs/dbraw/zinc/38/34/50/376383450.db2.gz DRTRMOIAPWDQQI-UHFFFAOYSA-N 2 3 285.436 0.003 20 0 CCADHP [NH3+]CCOCCN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571087732 291790760 /nfs/dbraw/zinc/79/07/60/291790760.db2.gz HAJPVJQAAQVFSX-KBPBESRZSA-N 2 3 271.405 0.180 20 0 CCADHP C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422740779 389463788 /nfs/dbraw/zinc/46/37/88/389463788.db2.gz NEILELODWNJAQT-ZBFHGGJFSA-N 2 3 282.476 0.990 20 0 CCADHP CC(C)C[C@H](N[C@H](C)C[C@H](C)[NH3+])C(=O)NCC[NH+](C)C ZINC000423021815 389524306 /nfs/dbraw/zinc/52/43/06/389524306.db2.gz CZPVPCNZFIAOBV-MJBXVCDLSA-N 2 3 286.464 0.794 20 0 CCADHP CCN1CCN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788407 390171464 /nfs/dbraw/zinc/17/14/64/390171464.db2.gz JFIOZFCLODROMB-YESZJQIVSA-N 2 3 294.487 0.992 20 0 CCADHP CN(C)CCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792897 390173026 /nfs/dbraw/zinc/17/30/26/390173026.db2.gz DNBSGDBANUXHPD-HLLBOEOZSA-N 2 3 294.487 0.990 20 0 CCADHP [NH3+]C[C@@H]1CN(CCCC2CC[NH2+]CC2)CCCO1 ZINC000647992600 390242164 /nfs/dbraw/zinc/24/21/64/390242164.db2.gz RDWUCXJIBAUMFY-CQSZACIVSA-N 2 3 255.406 0.816 20 0 CCADHP NC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000647992600 390242166 /nfs/dbraw/zinc/24/21/66/390242166.db2.gz RDWUCXJIBAUMFY-CQSZACIVSA-N 2 3 255.406 0.816 20 0 CCADHP NC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000647992600 390242171 /nfs/dbraw/zinc/24/21/71/390242171.db2.gz RDWUCXJIBAUMFY-CQSZACIVSA-N 2 3 255.406 0.816 20 0 CCADHP C[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000662283211 414705499 /nfs/dbraw/zinc/70/54/99/414705499.db2.gz SDCGYZOLQPOFNJ-UPJWGTAASA-N 2 3 253.390 0.424 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000663507158 415079328 /nfs/dbraw/zinc/07/93/28/415079328.db2.gz ZACHPZWEBDKHIR-ZFWWWQNUSA-N 2 3 296.459 0.565 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000665289444 415586450 /nfs/dbraw/zinc/58/64/50/415586450.db2.gz OCPDYDYTJRLHNO-HIFRSBDPSA-N 2 3 296.459 0.694 20 0 CCADHP CC[N@@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000925808716 615304575 /nfs/dbraw/zinc/30/45/75/615304575.db2.gz DMEVGUZMRGYAPW-HIFRSBDPSA-N 2 3 268.449 0.729 20 0 CCADHP CC[N@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000925808716 615304577 /nfs/dbraw/zinc/30/45/77/615304577.db2.gz DMEVGUZMRGYAPW-HIFRSBDPSA-N 2 3 268.449 0.729 20 0 CCADHP C[N@@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000925813379 616414438 /nfs/dbraw/zinc/41/44/38/616414438.db2.gz UQMKRSBVNRCQSC-HRCADAONSA-N 2 3 280.460 0.872 20 0 CCADHP C[N@H+]1CC[C@H](NCCN2CCC([NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000925813379 616414442 /nfs/dbraw/zinc/41/44/42/616414442.db2.gz UQMKRSBVNRCQSC-HRCADAONSA-N 2 3 280.460 0.872 20 0 CCADHP [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713124 634632361 /nfs/dbraw/zinc/63/23/61/634632361.db2.gz FTUWOOAFMQGOFE-IHRRRGAJSA-N 2 3 253.390 0.426 20 0 CCADHP [NH3+]C[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903713553 634633746 /nfs/dbraw/zinc/63/37/46/634633746.db2.gz VLRFRFDBEXZCFC-ZIAGYGMSSA-N 2 3 267.417 0.816 20 0 CCADHP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1C[NH3+] ZINC000903788005 634652948 /nfs/dbraw/zinc/65/29/48/634652948.db2.gz AELZZUJGFZJGLF-MCIONIFRSA-N 2 3 255.406 0.360 20 0 CCADHP Cc1c(C[C@@H](CN)C[NH2+]CC2(C)CC[NH2+]CC2)cnn1C ZINC000903918992 634686441 /nfs/dbraw/zinc/68/64/41/634686441.db2.gz KCNPADZPRGVJHH-AWEZNQCLSA-N 2 3 293.459 0.825 20 0 CCADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000925722924 648457489 /nfs/dbraw/zinc/45/74/89/648457489.db2.gz LQWLYIWYZLCEAJ-ITGHMWBKSA-N 2 3 265.401 0.613 20 0 CCADHP CCN(C(=O)[C@@H](N)CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161331522 791108974 /nfs/dbraw/zinc/10/89/74/791108974.db2.gz YWSCVZXLLUSPJL-NEPJUHHUSA-N 2 3 256.394 0.043 20 0 CCADHP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H](N)CCC[NH3+] ZINC001157414276 801375354 /nfs/dbraw/zinc/37/53/54/801375354.db2.gz XLDDUHQPMANLJT-CQSZACIVSA-N 2 3 291.399 0.537 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC001160515438 801957904 /nfs/dbraw/zinc/95/79/04/801957904.db2.gz HFLLADZFMODVNJ-ZDUSSCGKSA-N 2 3 270.421 0.432 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001161060538 802079561 /nfs/dbraw/zinc/07/95/61/802079561.db2.gz CBYKRIUKKMGDHU-WOPDTQHZSA-N 2 3 256.394 0.171 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1(C)CC[NH2+]CC1 ZINC001161066561 802081881 /nfs/dbraw/zinc/08/18/81/802081881.db2.gz BFKYUZGCYZGFCZ-ZDUSSCGKSA-N 2 3 284.448 0.646 20 0 CCADHP C[NH+](C)CCN1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207480090 803409287 /nfs/dbraw/zinc/40/92/87/803409287.db2.gz UCIGIRNMLMZXMV-UHFFFAOYSA-N 2 3 282.476 0.898 20 0 CCADHP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@@H](N)C23CCC3)CC1 ZINC000405198873 803867056 /nfs/dbraw/zinc/86/70/56/803867056.db2.gz BUTMMEMPGWSQCH-NEPJUHHUSA-N 2 3 253.390 0.303 20 0 CCADHP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C[NH2+]1 ZINC001219582376 804357185 /nfs/dbraw/zinc/35/71/85/804357185.db2.gz DKLAIIJKZXMEDS-AVGNSLFASA-N 2 3 280.416 0.117 20 0 CCADHP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C[NH2+]1 ZINC001219582376 804357191 /nfs/dbraw/zinc/35/71/91/804357191.db2.gz DKLAIIJKZXMEDS-AVGNSLFASA-N 2 3 280.416 0.117 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219918385 804448180 /nfs/dbraw/zinc/44/81/80/804448180.db2.gz KHTSUCTYXSIMFB-AWEZNQCLSA-N 2 3 296.459 0.709 20 0 CCADHP C[NH+](C)CCCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219918385 804448184 /nfs/dbraw/zinc/44/81/84/804448184.db2.gz KHTSUCTYXSIMFB-AWEZNQCLSA-N 2 3 296.459 0.709 20 0 CCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221240814 804753636 /nfs/dbraw/zinc/75/36/36/804753636.db2.gz CUZSXWCCPXLPMJ-SGMGOOAPSA-N 2 3 270.421 0.478 20 0 CCADHP O[C@]1(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCCNC1 ZINC001246033925 807128987 /nfs/dbraw/zinc/12/89/87/807128987.db2.gz OILVTXWDXSHJEP-HZPDHXFCSA-N 2 3 281.444 0.955 20 0 CCADHP O[C@]1(CN2CCC([C@H]3CCCC[NH2+]3)CC2)CCC[NH2+]C1 ZINC001246033925 807128994 /nfs/dbraw/zinc/12/89/94/807128994.db2.gz OILVTXWDXSHJEP-HZPDHXFCSA-N 2 3 281.444 0.955 20 0 CCADHP COC(=O)C1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246097426 807152991 /nfs/dbraw/zinc/15/29/91/807152991.db2.gz PAIILHOXRBDIFV-NWDGAFQWSA-N 2 3 269.389 0.259 20 0 CCADHP COC(=O)C1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246097426 807152993 /nfs/dbraw/zinc/15/29/93/807152993.db2.gz PAIILHOXRBDIFV-NWDGAFQWSA-N 2 3 269.389 0.259 20 0 CCADHP C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246130538 807160980 /nfs/dbraw/zinc/16/09/80/807160980.db2.gz VBKRNQCRUOXKJV-KGLIPLIRSA-N 2 3 266.433 0.592 20 0 CCADHP CC[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246142227 807165059 /nfs/dbraw/zinc/16/50/59/807165059.db2.gz IINYBCQURQTIPM-ILXRZTDVSA-N 2 3 280.460 0.981 20 0 CCADHP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001246155845 807171330 /nfs/dbraw/zinc/17/13/30/807171330.db2.gz GOVKPSODRNZVPB-MGPQQGTHSA-N 2 3 253.390 0.487 20 0 CCADHP C[C@@H]1C[C@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246181732 807179601 /nfs/dbraw/zinc/17/96/01/807179601.db2.gz ROWPJPHLEZUXEA-UPJWGTAASA-N 2 3 253.390 0.628 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246420100 807250167 /nfs/dbraw/zinc/25/01/67/807250167.db2.gz WVRPZOCHUMHMRK-BBBYJDLNSA-N 2 3 296.459 0.871 20 0 CCADHP C[C@H]1CC[C@H](N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)C[NH2+]1 ZINC001246749697 807369539 /nfs/dbraw/zinc/36/95/39/807369539.db2.gz SHOYFHDNCNIWPG-YHUYYLMFSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@H]1CC[C@H](N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)C[NH2+]1 ZINC001246749697 807369544 /nfs/dbraw/zinc/36/95/44/807369544.db2.gz SHOYFHDNCNIWPG-YHUYYLMFSA-N 2 3 280.460 0.837 20 0 CCADHP C[C@H]1CC[C@H](N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749697 807369553 /nfs/dbraw/zinc/36/95/53/807369553.db2.gz SHOYFHDNCNIWPG-YHUYYLMFSA-N 2 3 280.460 0.837 20 0 CCADHP C[NH+]1CCC(CN2CCN([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001246948788 807439154 /nfs/dbraw/zinc/43/91/54/807439154.db2.gz LYHHOLKQAAADAF-MRXNPFEDSA-N 2 3 280.460 0.698 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3)C[C@H]21 ZINC000382234115 811191609 /nfs/dbraw/zinc/19/16/09/811191609.db2.gz VWAOYEKVTZHJLX-KBUPBQIOSA-N 2 3 267.417 0.502 20 0 CCADHP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)CN3CCCC3)C[C@H]21 ZINC000382234115 811191612 /nfs/dbraw/zinc/19/16/12/811191612.db2.gz VWAOYEKVTZHJLX-KBUPBQIOSA-N 2 3 267.417 0.502 20 0 CCADHP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169123022 836139302 /nfs/dbraw/zinc/13/93/02/836139302.db2.gz HOKLACBOVIPOBY-CRWXNKLISA-N 2 3 282.432 0.445 20 0 CCADHP CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022306 839583295 /nfs/dbraw/zinc/58/32/95/839583295.db2.gz QOOKNONRTSQLBE-UONOGXRCSA-N 2 3 275.412 0.842 20 0 CCADHP CCN(CC)C[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022306 839583303 /nfs/dbraw/zinc/58/33/03/839583303.db2.gz QOOKNONRTSQLBE-UONOGXRCSA-N 2 3 275.412 0.842 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)CCN1 ZINC001246154307 839650275 /nfs/dbraw/zinc/65/02/75/839650275.db2.gz ZYSJNIRWNLPFKO-XVIXHAIJSA-N 2 3 253.390 0.484 20 0 CCADHP C[C@@H]1C[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246252157 839743065 /nfs/dbraw/zinc/74/30/65/839743065.db2.gz ZWALKPBXHNMTBO-RDBSUJKOSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC001246252157 839743068 /nfs/dbraw/zinc/74/30/68/839743068.db2.gz ZWALKPBXHNMTBO-RDBSUJKOSA-N 2 3 267.417 0.875 20 0 CCADHP C[C@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)CC[NH2+]1 ZINC001246478423 839866430 /nfs/dbraw/zinc/86/64/30/839866430.db2.gz ONDJDYLUTLZACV-UONOGXRCSA-N 2 3 254.422 0.483 20 0 CCADHP C[C@@H]1CC[N@@H+]([C@@H]2CCOC3(CNC3)C2)CC[C@H]1C[NH3+] ZINC001246563637 840033060 /nfs/dbraw/zinc/03/30/60/840033060.db2.gz XLWMOFVQPGDDGD-HZSPNIEDSA-N 2 3 267.417 0.814 20 0 CCADHP C[C@@H]1CC[N@H+]([C@@H]2CCOC3(CNC3)C2)CC[C@H]1C[NH3+] ZINC001246563637 840033069 /nfs/dbraw/zinc/03/30/69/840033069.db2.gz XLWMOFVQPGDDGD-HZSPNIEDSA-N 2 3 267.417 0.814 20 0 CCADHP COCCC[NH+]1CCC(NCCOCC[NH3+])CC1 ZINC001172244725 841907531 /nfs/dbraw/zinc/90/75/31/841907531.db2.gz IZDCMGLTELXNIF-UHFFFAOYSA-N 2 3 259.394 0.052 20 0 CCADHP N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001119632373 856794944 /nfs/dbraw/zinc/79/49/44/856794944.db2.gz SPBYHWSTCWBEKI-TUAOUCFPSA-N 2 3 267.373 0.141 20 0 CCADHP C[N@@H+]1CCC[C@H](N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC001336286749 920702141 /nfs/dbraw/zinc/70/21/41/920702141.db2.gz UNZWWOHOVBAYNI-ZNMIVQPWSA-N 2 3 266.433 0.436 20 0 CCADHP C[N@H+]1CCC[C@H](N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC001336286749 920702147 /nfs/dbraw/zinc/70/21/47/920702147.db2.gz UNZWWOHOVBAYNI-ZNMIVQPWSA-N 2 3 266.433 0.436 20 0 CCADHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629531187 369691984 /nfs/dbraw/zinc/69/19/84/369691984.db2.gz CYKNTHZTWDWCPJ-MCIONIFRSA-N 2 3 255.406 0.733 20 0 CCADHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629531188 369692322 /nfs/dbraw/zinc/69/23/22/369692322.db2.gz CYKNTHZTWDWCPJ-MGPQQGTHSA-N 2 3 255.406 0.733 20 0 CCADHP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](CN)C(C)C)CC1 ZINC000634996774 372333235 /nfs/dbraw/zinc/33/32/35/372333235.db2.gz VBQYWZRIUHMXQG-AWEZNQCLSA-N 2 3 298.475 0.798 20 0 CCADHP CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000641181009 376853883 /nfs/dbraw/zinc/85/38/83/376853883.db2.gz ONSCCGAKOKWMIP-KGLIPLIRSA-N 2 3 299.463 0.391 20 0 CCADHP COCC1(CNC[C@@]2(C)CC[NH2+]C2)CC[NH2+]CC1 ZINC000574878550 335053199 /nfs/dbraw/zinc/05/31/99/335053199.db2.gz VLPGLIMQKDVQJP-ZDUSSCGKSA-N 2 3 255.406 0.592 20 0 CCADHP C(C[N@@H+]1CC[C@H](N2CCNCC2)C1)C1CC[NH2+]CC1 ZINC000575869313 335126374 /nfs/dbraw/zinc/12/63/74/335126374.db2.gz NRMJAFWXQCYCHR-HNNXBMFYSA-N 2 3 266.433 0.356 20 0 CCADHP C(C[N@H+]1CC[C@H](N2CCNCC2)C1)C1CC[NH2+]CC1 ZINC000575869313 335126375 /nfs/dbraw/zinc/12/63/75/335126375.db2.gz NRMJAFWXQCYCHR-HNNXBMFYSA-N 2 3 266.433 0.356 20 0 CCADHP C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000397500734 581178969 /nfs/dbraw/zinc/17/89/69/581178969.db2.gz XKOMRXIRAUOSPQ-ZDUSSCGKSA-N 2 3 269.433 0.763 20 0 CCADHP CC[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(C)C ZINC000870020609 615378222 /nfs/dbraw/zinc/37/82/22/615378222.db2.gz SDOCUFHWJJYVMS-KFWWJZLASA-N 2 3 298.475 0.524 20 0 CCADHP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000903874235 616098434 /nfs/dbraw/zinc/09/84/34/616098434.db2.gz VVBLKEYVALUKKF-JXQTWKCFSA-N 2 3 292.431 0.904 20 0 CCADHP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903750260 634636638 /nfs/dbraw/zinc/63/66/38/634636638.db2.gz WEVWEISQKPCQHE-SOUVJXGZSA-N 2 3 267.417 0.958 20 0 CCADHP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903841169 634664331 /nfs/dbraw/zinc/66/43/31/634664331.db2.gz BLBZBKOJODTTSN-ZDEQEGDKSA-N 2 3 251.374 0.319 20 0 CCADHP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903841163 634664376 /nfs/dbraw/zinc/66/43/76/634664376.db2.gz BLBZBKOJODTTSN-RNJOBUHISA-N 2 3 251.374 0.319 20 0 CCADHP Cc1c(C[C@H](CN)C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cnn1C ZINC000903918596 634685693 /nfs/dbraw/zinc/68/56/93/634685693.db2.gz CIPXJNXSVZDHCV-UMVBOHGHSA-N 2 3 279.432 0.563 20 0 CCADHP CN(CCN1CC[NH2+]CC1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236083553 806542309 /nfs/dbraw/zinc/54/23/09/806542309.db2.gz UJCHRWQQBDETEY-UHFFFAOYSA-N 2 3 288.439 0.669 20 0 CCADHP C[C@@H]1C[C@H](NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246156236 807171060 /nfs/dbraw/zinc/17/10/60/807171060.db2.gz KGIREKFRQUTVDX-XHJNMGKDSA-N 2 3 253.390 0.341 20 0 CCADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN1 ZINC001246156236 807171064 /nfs/dbraw/zinc/17/10/64/807171064.db2.gz KGIREKFRQUTVDX-XHJNMGKDSA-N 2 3 253.390 0.341 20 0 CCADHP CN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060537 802079673 /nfs/dbraw/zinc/07/96/73/802079673.db2.gz CBYKRIUKKMGDHU-SRVKXCTJSA-N 2 3 256.394 0.171 20 0 CCADHP CN1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C[C@@H]21 ZINC001161084436 802085798 /nfs/dbraw/zinc/08/57/98/802085798.db2.gz YCFUSKINXBLVSU-KKUMJFAQSA-N 2 3 296.459 0.598 20 0 CCADHP CN(C)CCN(C(=O)[C@]1(C)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161449316 802155842 /nfs/dbraw/zinc/15/58/42/802155842.db2.gz LNXHRVBYABRZFZ-DZGCQCFKSA-N 2 3 282.432 0.128 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534375 803991825 /nfs/dbraw/zinc/99/18/25/803991825.db2.gz WUPKEDQCZQJTEL-IUCAKERBSA-N 2 3 297.428 0.354 20 0 CCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777439 804664281 /nfs/dbraw/zinc/66/42/81/804664281.db2.gz QNLGZYZQTLLUAB-IMJJTQAJSA-N 2 3 296.459 0.966 20 0 CCADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805136 804669751 /nfs/dbraw/zinc/66/97/51/804669751.db2.gz QSGUJFPTZYJGCQ-KXUCPTDWSA-N 2 3 296.337 0.099 20 0 CCADHP N[C@H](CCC[NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246220 804757604 /nfs/dbraw/zinc/75/76/04/804757604.db2.gz UHPQVAKVHYWVIX-TZMCWYRMSA-N 2 3 268.405 0.091 20 0 CCADHP C[C@@H]1CC[C@H](NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246147629 807167840 /nfs/dbraw/zinc/16/78/40/807167840.db2.gz YWHZYPPQIZCEBI-QPSCCSFWSA-N 2 3 283.416 0.112 20 0 CCADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CCC[NH2+]C3)C[C@H](C1)N2 ZINC001246199036 807183965 /nfs/dbraw/zinc/18/39/65/807183965.db2.gz TVXISKZGFWASMT-HKKVPVCXSA-N 2 3 295.427 0.648 20 0 CCADHP CCOC(=O)C1(C[NH2+][C@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246320724 807220773 /nfs/dbraw/zinc/22/07/73/807220773.db2.gz SZWWCCBIRVECQJ-ZDUSSCGKSA-N 2 3 283.416 0.651 20 0 CCADHP COCCC1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246370311 807237226 /nfs/dbraw/zinc/23/72/26/807237226.db2.gz JICJGRLFONXLIU-UHFFFAOYSA-N 2 3 255.406 0.734 20 0 CCADHP NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246418605 807248618 /nfs/dbraw/zinc/24/86/18/807248618.db2.gz RXVRTPNKRQAWLC-VNHYZAJKSA-N 2 3 282.432 0.481 20 0 CCADHP C[C@@H]1[C@H](N)CC[N@@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246548509 807282003 /nfs/dbraw/zinc/28/20/03/807282003.db2.gz IWUIBDWAYSGZTR-NELGMTEASA-N 2 3 253.390 0.709 20 0 CCADHP C[C@@H]1[C@H](N)CC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246548509 807282010 /nfs/dbraw/zinc/28/20/10/807282010.db2.gz IWUIBDWAYSGZTR-NELGMTEASA-N 2 3 253.390 0.709 20 0 CCADHP C1CC2(C[C@@H]1[N@@H+]1CCN[C@H]3CCNCC[C@@H]31)CC[NH2+]CC2 ZINC001246617627 807326322 /nfs/dbraw/zinc/32/63/22/807326322.db2.gz HXOKCYFLOWQNGO-PMPSAXMXSA-N 2 3 292.471 0.935 20 0 CCADHP C1CC2(C[C@@H]1[N@H+]1CCN[C@H]3CCNCC[C@@H]31)CC[NH2+]CC2 ZINC001246617627 807326331 /nfs/dbraw/zinc/32/63/31/807326331.db2.gz HXOKCYFLOWQNGO-PMPSAXMXSA-N 2 3 292.471 0.935 20 0 CCADHP C1NCC12C[C@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCO2 ZINC001246930398 807431483 /nfs/dbraw/zinc/43/14/83/807431483.db2.gz JBDGQAKZHZOZNU-HZSPNIEDSA-N 2 3 265.401 0.439 20 0 CCADHP C1NCC12C[C@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CCO2 ZINC001246930398 807431487 /nfs/dbraw/zinc/43/14/87/807431487.db2.gz JBDGQAKZHZOZNU-HZSPNIEDSA-N 2 3 265.401 0.439 20 0 CCADHP CC(C)(C)[NH2+]C[C@@H](O)CNCC12CC[NH+](CC1)CC2 ZINC001253406585 808062144 /nfs/dbraw/zinc/06/21/44/808062144.db2.gz QUSRWFULWBHYLK-ZDUSSCGKSA-N 2 3 269.433 0.811 20 0 CCADHP CC(C)(C)NC[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001253406585 808062151 /nfs/dbraw/zinc/06/21/51/808062151.db2.gz QUSRWFULWBHYLK-ZDUSSCGKSA-N 2 3 269.433 0.811 20 0 CCADHP [NH3+]CCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679483 808548552 /nfs/dbraw/zinc/54/85/52/808548552.db2.gz MKUVBPOQXPCMIA-UHFFFAOYSA-N 2 3 255.406 0.958 20 0 CCADHP F[C@]1(CN[C@@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111458 839622289 /nfs/dbraw/zinc/62/22/89/839622289.db2.gz JCSRKVIHQHVPLH-CHWSQXEVSA-N 2 3 270.396 0.152 20 0 CCADHP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001332421479 904111340 /nfs/dbraw/zinc/11/13/40/904111340.db2.gz QQZWMEMPRAQMTP-SDDRHHMPSA-N 2 3 269.389 0.387 20 0 CCADHP