smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)Nc3cccc(I)c3)CC2)C[C@H](C)O1 ZINC000058224410 195374365 /nfs/dbraw/zinc/37/43/65/195374365.db2.gz HKVRWPAIAMZYBL-IYBDPMFKSA-N 2 1 471.383 3.051 50 0 JGAAMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)Nc3cccc(I)c3)CC2)C[C@H](C)O1 ZINC000058224410 195374368 /nfs/dbraw/zinc/37/43/68/195374368.db2.gz HKVRWPAIAMZYBL-IYBDPMFKSA-N 2 1 471.383 3.051 50 0 JGAAMP C[N@H+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[NH+](Cc2ccc(-c4ccccc4)cc2)CC3)C1 ZINC000014881785 523811621 /nfs/dbraw/zinc/81/16/21/523811621.db2.gz MLYBRAMALWPJNE-RUZDIDTESA-N 2 1 472.637 3.004 50 0 JGAAMP C[NH+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(-c4ccccc4)cc2)CC3)C1 ZINC000014881785 523811627 /nfs/dbraw/zinc/81/16/27/523811627.db2.gz MLYBRAMALWPJNE-RUZDIDTESA-N 2 1 472.637 3.004 50 0 JGAAMP C[NH+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4)cc2)CC3)C1 ZINC000014881785 523811635 /nfs/dbraw/zinc/81/16/35/523811635.db2.gz MLYBRAMALWPJNE-RUZDIDTESA-N 2 1 472.637 3.004 50 0 JGAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[N@@H+]3C)C[NH+](Cc3ccc(O)cc3)C2)cn1 ZINC000014748645 525439212 /nfs/dbraw/zinc/43/92/12/525439212.db2.gz JJKOZGHJHHWOLD-VXNXHJTFSA-N 2 1 466.626 3.213 50 0 JGAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[N@@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014748645 525439218 /nfs/dbraw/zinc/43/92/18/525439218.db2.gz JJKOZGHJHHWOLD-VXNXHJTFSA-N 2 1 466.626 3.213 50 0 JGAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[N@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014748645 525439223 /nfs/dbraw/zinc/43/92/23/525439223.db2.gz JJKOZGHJHHWOLD-VXNXHJTFSA-N 2 1 466.626 3.213 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4cccc(-n5cccn5)c4)CC3)cc2)CC1 ZINC000014999106 555843759 /nfs/dbraw/zinc/84/37/59/555843759.db2.gz HOEUCIGOLVTYKG-UHFFFAOYSA-N 2 1 472.637 3.409 50 0 JGAAMP O=c1c2c(nc3sc(SCC[NH+]4CCCCC4)nn31)CC[N@H+](CCc1ccccc1)C2 ZINC000015414132 555905696 /nfs/dbraw/zinc/90/56/96/555905696.db2.gz KXZSMEYDRSCXPH-UHFFFAOYSA-N 2 1 455.653 3.330 50 0 JGAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000019229103 556336420 /nfs/dbraw/zinc/33/64/20/556336420.db2.gz XCZHZUNOXLHAGJ-AZGAKELHSA-N 2 1 452.618 3.360 50 0 JGAAMP COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCCC[N@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000245245324 570058954 /nfs/dbraw/zinc/05/89/54/570058954.db2.gz FHDQUBOJDAFCFL-CTNGQTDRSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCCC[NH+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000245245324 570058955 /nfs/dbraw/zinc/05/89/55/570058955.db2.gz FHDQUBOJDAFCFL-CTNGQTDRSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCCC[NH+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000245245324 570058956 /nfs/dbraw/zinc/05/89/56/570058956.db2.gz FHDQUBOJDAFCFL-CTNGQTDRSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@H](C(=O)NCCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000245245324 570058957 /nfs/dbraw/zinc/05/89/57/570058957.db2.gz FHDQUBOJDAFCFL-CTNGQTDRSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@H](C(=O)NCCC[N@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000245245324 570058958 /nfs/dbraw/zinc/05/89/58/570058958.db2.gz FHDQUBOJDAFCFL-CTNGQTDRSA-N 2 1 485.629 3.347 50 0 JGAAMP O[C@@H](COc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1)C[NH+]1CCc2ccccc2C1 ZINC000008833893 554731455 /nfs/dbraw/zinc/73/14/55/554731455.db2.gz SXQYYQFUIJJVEI-HNRBIFIRSA-N 2 1 488.628 3.283 50 0 JGAAMP O[C@@H](COc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000008833893 554731458 /nfs/dbraw/zinc/73/14/58/554731458.db2.gz SXQYYQFUIJJVEI-HNRBIFIRSA-N 2 1 488.628 3.283 50 0 JGAAMP O[C@@H](COc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000008833893 554731461 /nfs/dbraw/zinc/73/14/61/554731461.db2.gz SXQYYQFUIJJVEI-HNRBIFIRSA-N 2 1 488.628 3.283 50 0 JGAAMP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532266 555819975 /nfs/dbraw/zinc/81/99/75/555819975.db2.gz CCWJRTMJDXHTBT-HXUWFJFHSA-N 2 1 493.574 3.321 50 0 JGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532266 555819977 /nfs/dbraw/zinc/81/99/77/555819977.db2.gz CCWJRTMJDXHTBT-HXUWFJFHSA-N 2 1 493.574 3.321 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532266 555819979 /nfs/dbraw/zinc/81/99/79/555819979.db2.gz CCWJRTMJDXHTBT-HXUWFJFHSA-N 2 1 493.574 3.321 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532266 555819982 /nfs/dbraw/zinc/81/99/82/555819982.db2.gz CCWJRTMJDXHTBT-HXUWFJFHSA-N 2 1 493.574 3.321 50 0 JGAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014534177 555822938 /nfs/dbraw/zinc/82/29/38/555822938.db2.gz WWNNBVPJPQKJRZ-BJKOFHAPSA-N 2 1 469.601 3.181 50 0 JGAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014534177 555822941 /nfs/dbraw/zinc/82/29/41/555822941.db2.gz WWNNBVPJPQKJRZ-BJKOFHAPSA-N 2 1 469.601 3.181 50 0 JGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](CC(C)C)C1 ZINC000014543557 555834599 /nfs/dbraw/zinc/83/45/99/555834599.db2.gz NPAWDSJRVWMPSJ-ARNLJNQMSA-N 2 1 454.659 3.308 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CC(C)C)C1 ZINC000014543557 555834602 /nfs/dbraw/zinc/83/46/02/555834602.db2.gz NPAWDSJRVWMPSJ-ARNLJNQMSA-N 2 1 454.659 3.308 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CC(C)C)C1 ZINC000014543557 555834604 /nfs/dbraw/zinc/83/46/04/555834604.db2.gz NPAWDSJRVWMPSJ-ARNLJNQMSA-N 2 1 454.659 3.308 50 0 JGAAMP COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2 ZINC000012190421 555937433 /nfs/dbraw/zinc/93/74/33/555937433.db2.gz KOFXJFQHQHKQFW-JOCHJYFZSA-N 2 1 488.702 3.234 50 0 JGAAMP COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2 ZINC000012190421 555937435 /nfs/dbraw/zinc/93/74/35/555937435.db2.gz KOFXJFQHQHKQFW-JOCHJYFZSA-N 2 1 488.702 3.234 50 0 JGAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCCc2ccc(F)cc2)CC1 ZINC000023362708 556049392 /nfs/dbraw/zinc/04/93/92/556049392.db2.gz UETIMGPERBSOJC-AHKZPQOWSA-N 2 1 466.645 3.403 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@H+](C)C[C@H]4Cc5ccccc5CN4C)CC3)cc2)CC1 ZINC000019334122 556342501 /nfs/dbraw/zinc/34/25/01/556342501.db2.gz UTEZOVMLHPFUOT-GDLZYMKVSA-N 2 1 489.708 3.422 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)C[C@H]4Cc5ccccc5CN4C)CC3)cc2)CC1 ZINC000019334122 556342504 /nfs/dbraw/zinc/34/25/04/556342504.db2.gz UTEZOVMLHPFUOT-GDLZYMKVSA-N 2 1 489.708 3.422 50 0 JGAAMP CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000009933874 195025964 /nfs/dbraw/zinc/02/59/64/195025964.db2.gz VYBDTTVHOOGZMG-HSZRJFAPSA-N 2 1 455.599 3.329 50 0 JGAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[C@H](COc3cccnc3)C2)cc1OC ZINC000014755123 524041795 /nfs/dbraw/zinc/04/17/95/524041795.db2.gz CXIVCPRZQHAYKT-RBZQAINGSA-N 2 1 496.652 3.216 50 0 JGAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@H]3CCC[N@@H+]3C)C[C@H](COc3cccnc3)C2)cc1OC ZINC000014755123 524041798 /nfs/dbraw/zinc/04/17/98/524041798.db2.gz CXIVCPRZQHAYKT-RBZQAINGSA-N 2 1 496.652 3.216 50 0 JGAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@H]3CCC[N@H+]3C)C[C@H](COc3cccnc3)C2)cc1OC ZINC000014755123 524041802 /nfs/dbraw/zinc/04/18/02/524041802.db2.gz CXIVCPRZQHAYKT-RBZQAINGSA-N 2 1 496.652 3.216 50 0 JGAAMP C[NH+](C)CCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014747769 524056495 /nfs/dbraw/zinc/05/64/95/524056495.db2.gz IXOZUELTCAQLOJ-FCHUYYIVSA-N 2 1 454.590 3.013 50 0 JGAAMP COc1ccccc1N1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000004528927 524555568 /nfs/dbraw/zinc/55/55/68/524555568.db2.gz RFDDUBQIKRMAEV-RUZDIDTESA-N 2 1 450.627 3.378 50 0 JGAAMP O[C@H](COc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1)C[NH+]1CCc2ccccc2C1 ZINC000000789025 553781586 /nfs/dbraw/zinc/78/15/86/553781586.db2.gz SXQYYQFUIJJVEI-NSOVKSMOSA-N 2 1 488.628 3.283 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)n2)cc1OC ZINC000009226021 554998576 /nfs/dbraw/zinc/99/85/76/554998576.db2.gz YCBGXKAHKBJYSJ-UHFFFAOYSA-N 2 1 497.640 3.443 50 0 JGAAMP O=C(NCCC[NH+]1CCC([NH+]2CCCCC2)CC1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000009269482 555044566 /nfs/dbraw/zinc/04/45/66/555044566.db2.gz MYTXRJYABMTUAH-UHFFFAOYSA-N 2 1 485.702 3.389 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000014538747 555828295 /nfs/dbraw/zinc/82/82/95/555828295.db2.gz JKKIYKJEDUQJNR-LJQANCHMSA-N 2 1 463.548 3.347 50 0 JGAAMP CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726081 555963011 /nfs/dbraw/zinc/96/30/11/555963011.db2.gz LOGJLAOHDOTSGF-HXUWFJFHSA-N 2 1 473.618 3.204 50 0 JGAAMP CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726081 555963012 /nfs/dbraw/zinc/96/30/12/555963012.db2.gz LOGJLAOHDOTSGF-HXUWFJFHSA-N 2 1 473.618 3.204 50 0 JGAAMP CCCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726081 555963014 /nfs/dbraw/zinc/96/30/14/555963014.db2.gz LOGJLAOHDOTSGF-HXUWFJFHSA-N 2 1 473.618 3.204 50 0 JGAAMP CCCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726081 555963016 /nfs/dbraw/zinc/96/30/16/555963016.db2.gz LOGJLAOHDOTSGF-HXUWFJFHSA-N 2 1 473.618 3.204 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@H+](C)C[C@@H]4Cc5ccccc5CN4C)CC3)cc2)CC1 ZINC000019334116 556342451 /nfs/dbraw/zinc/34/24/51/556342451.db2.gz UTEZOVMLHPFUOT-LJAQVGFWSA-N 2 1 489.708 3.422 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)C[C@@H]4Cc5ccccc5CN4C)CC3)cc2)CC1 ZINC000019334116 556342455 /nfs/dbraw/zinc/34/24/55/556342455.db2.gz UTEZOVMLHPFUOT-LJAQVGFWSA-N 2 1 489.708 3.422 50 0 JGAAMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573915 569611405 /nfs/dbraw/zinc/61/14/05/569611405.db2.gz BJZMTHAITSXWLM-PGRDOPGGSA-N 2 1 485.028 3.475 50 0 JGAAMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573915 569611406 /nfs/dbraw/zinc/61/14/06/569611406.db2.gz BJZMTHAITSXWLM-PGRDOPGGSA-N 2 1 485.028 3.475 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681919 569870998 /nfs/dbraw/zinc/87/09/98/569870998.db2.gz BZMVDQLVXDFWIR-GGAORHGYSA-N 2 1 478.534 3.385 50 0 JGAAMP COCC[N@H+]1CC[C@@H](CN(C)C(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)C1 ZINC000215828120 569877762 /nfs/dbraw/zinc/87/77/62/569877762.db2.gz JFLWNGWXNCZFGP-NBGIEHNGSA-N 2 1 455.574 3.188 50 0 JGAAMP COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+][C@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603603 570104405 /nfs/dbraw/zinc/10/44/05/570104405.db2.gz LPAQKOAXBUOSOC-IRLDBZIGSA-N 2 1 461.610 3.126 50 0 JGAAMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000014747192 522053878 /nfs/dbraw/zinc/05/38/78/522053878.db2.gz QAYRMJYZVJOLSL-CMTIAEDTSA-N 2 1 474.649 3.415 50 0 JGAAMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000014747193 522103401 /nfs/dbraw/zinc/10/34/01/522103401.db2.gz QAYRMJYZVJOLSL-OBDYRVMHSA-N 2 1 474.649 3.415 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000014753799 523608895 /nfs/dbraw/zinc/60/88/95/523608895.db2.gz REAFXDZVFJYDEZ-SFHVURJKSA-N 2 1 479.547 3.226 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000014733045 523609923 /nfs/dbraw/zinc/60/99/23/523609923.db2.gz IXKGJDPMFAGMTO-XMMPIXPASA-N 2 1 463.670 3.493 50 0 JGAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[NH+](C)C)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000014541274 524041777 /nfs/dbraw/zinc/04/17/77/524041777.db2.gz HOTCIGNPIZYVRO-WIOPSUGQSA-N 2 1 495.664 3.387 50 0 JGAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[C@H](COc3cccnc3)C2)cc1OC ZINC000014755121 524041902 /nfs/dbraw/zinc/04/19/02/524041902.db2.gz CXIVCPRZQHAYKT-VXNXHJTFSA-N 2 1 496.652 3.216 50 0 JGAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@@H]3CCC[N@@H+]3C)C[C@H](COc3cccnc3)C2)cc1OC ZINC000014755121 524041906 /nfs/dbraw/zinc/04/19/06/524041906.db2.gz CXIVCPRZQHAYKT-VXNXHJTFSA-N 2 1 496.652 3.216 50 0 JGAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@@H]3CCC[N@H+]3C)C[C@H](COc3cccnc3)C2)cc1OC ZINC000014755121 524041908 /nfs/dbraw/zinc/04/19/08/524041908.db2.gz CXIVCPRZQHAYKT-VXNXHJTFSA-N 2 1 496.652 3.216 50 0 JGAAMP CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532267 555819935 /nfs/dbraw/zinc/81/99/35/555819935.db2.gz CCWJRTMJDXHTBT-FQEVSTJZSA-N 2 1 493.574 3.321 50 0 JGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532267 555819939 /nfs/dbraw/zinc/81/99/39/555819939.db2.gz CCWJRTMJDXHTBT-FQEVSTJZSA-N 2 1 493.574 3.321 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532267 555819944 /nfs/dbraw/zinc/81/99/44/555819944.db2.gz CCWJRTMJDXHTBT-FQEVSTJZSA-N 2 1 493.574 3.321 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014532267 555819946 /nfs/dbraw/zinc/81/99/46/555819946.db2.gz CCWJRTMJDXHTBT-FQEVSTJZSA-N 2 1 493.574 3.321 50 0 JGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+]([C@H](C)CCc1ccc(OC)cc1)CC2 ZINC000104361213 569845290 /nfs/dbraw/zinc/84/52/90/569845290.db2.gz TWIOSUZMKRTELR-GGAORHGYSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+]([C@H](C)CCc1ccc(OC)cc1)CC2 ZINC000104361213 569845291 /nfs/dbraw/zinc/84/52/91/569845291.db2.gz TWIOSUZMKRTELR-GGAORHGYSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+]([C@H](C)CCc1ccc(OC)cc1)CC2 ZINC000104361213 569845292 /nfs/dbraw/zinc/84/52/92/569845292.db2.gz TWIOSUZMKRTELR-GGAORHGYSA-N 2 1 497.684 3.132 50 0 JGAAMP COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CC[NH2+][C@H](C)C4)CC3)nc3ccccc32)cc1 ZINC000253602619 570104420 /nfs/dbraw/zinc/10/44/20/570104420.db2.gz DDIPJIUBQLATRD-HXUWFJFHSA-N 2 1 461.610 3.126 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014749115 521783037 /nfs/dbraw/zinc/78/30/37/521783037.db2.gz VDGKPIGNXOHWRI-VQTJNVASSA-N 2 1 464.532 3.295 50 0 JGAAMP CCC[NH+](CC1CC1)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H]([N@@H+](CCC)CC4CC4)C3=O)cc2)C1=O ZINC000008414119 554578425 /nfs/dbraw/zinc/57/84/25/554578425.db2.gz DNQLRXCCTIPAPK-PSWAGMNNSA-N 2 1 494.636 3.194 50 0 JGAAMP CCC[NH+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([N@H+](CCC)CC4CC4)C3=O)cc2)C1=O ZINC000008414119 554578426 /nfs/dbraw/zinc/57/84/26/554578426.db2.gz DNQLRXCCTIPAPK-PSWAGMNNSA-N 2 1 494.636 3.194 50 0 JGAAMP CCC[NH+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([N@@H+](CCC)CC4CC4)C3=O)cc2)C1=O ZINC000008414119 554578428 /nfs/dbraw/zinc/57/84/28/554578428.db2.gz DNQLRXCCTIPAPK-PSWAGMNNSA-N 2 1 494.636 3.194 50 0 JGAAMP CCCC[N@@H+](CC)CCNC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020136272 555660365 /nfs/dbraw/zinc/66/03/65/555660365.db2.gz JDEWFFZAJYWXGB-UHFFFAOYSA-N 2 1 482.673 3.252 50 0 JGAAMP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[NH+](Cc3ccccc3C)C2)n1 ZINC000011973116 555874678 /nfs/dbraw/zinc/87/46/78/555874678.db2.gz BPHPRHWNLAUISY-PKTZIBPZSA-N 2 1 453.656 3.301 50 0 JGAAMP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)[NH+](Cc3ccccc3C)C2)n1 ZINC000011973116 555874680 /nfs/dbraw/zinc/87/46/80/555874680.db2.gz BPHPRHWNLAUISY-PKTZIBPZSA-N 2 1 453.656 3.301 50 0 JGAAMP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@@H+](Cc3ccccc3C)C2)n1 ZINC000011973116 555874683 /nfs/dbraw/zinc/87/46/83/555874683.db2.gz BPHPRHWNLAUISY-PKTZIBPZSA-N 2 1 453.656 3.301 50 0 JGAAMP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@H+](Cc3ccccc3C)C2)n1 ZINC000011973116 555874686 /nfs/dbraw/zinc/87/46/86/555874686.db2.gz BPHPRHWNLAUISY-PKTZIBPZSA-N 2 1 453.656 3.301 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCC[N@H+](C)Cc4ccccc4)CC3)n2)cc1OC ZINC000015726397 555964779 /nfs/dbraw/zinc/96/47/79/555964779.db2.gz DADDORRGDDLCBT-UHFFFAOYSA-N 2 1 493.608 3.214 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCC[N@@H+](C)Cc4ccccc4)CC3)n2)cc1OC ZINC000015726397 555964783 /nfs/dbraw/zinc/96/47/83/555964783.db2.gz DADDORRGDDLCBT-UHFFFAOYSA-N 2 1 493.608 3.214 50 0 JGAAMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573917 569611469 /nfs/dbraw/zinc/61/14/69/569611469.db2.gz BJZMTHAITSXWLM-XMSQKQJNSA-N 2 1 485.028 3.475 50 0 JGAAMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573917 569611471 /nfs/dbraw/zinc/61/14/71/569611471.db2.gz BJZMTHAITSXWLM-XMSQKQJNSA-N 2 1 485.028 3.475 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871447 569718828 /nfs/dbraw/zinc/71/88/28/569718828.db2.gz BZMVDQLVXDFWIR-FYYLOGMGSA-N 2 1 478.534 3.385 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000014753801 523610580 /nfs/dbraw/zinc/61/05/80/523610580.db2.gz REAFXDZVFJYDEZ-GOSISDBHSA-N 2 1 479.547 3.226 50 0 JGAAMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[NH+](Cc2ccncc2)C1 ZINC000014742674 523846288 /nfs/dbraw/zinc/84/62/88/523846288.db2.gz WOUXUFXYIKLUSA-ZDXQCDESSA-N 2 1 454.590 3.338 50 0 JGAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014742674 523846293 /nfs/dbraw/zinc/84/62/93/523846293.db2.gz WOUXUFXYIKLUSA-ZDXQCDESSA-N 2 1 454.590 3.338 50 0 JGAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014742674 523846299 /nfs/dbraw/zinc/84/62/99/523846299.db2.gz WOUXUFXYIKLUSA-ZDXQCDESSA-N 2 1 454.590 3.338 50 0 JGAAMP CCC[NH+](CCC)CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009226016 554998637 /nfs/dbraw/zinc/99/86/37/554998637.db2.gz PAQBLTBIAADOAP-UHFFFAOYSA-N 2 1 473.618 3.204 50 0 JGAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCC[NH+](C)C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014537793 555827328 /nfs/dbraw/zinc/82/73/28/555827328.db2.gz MWHKUPPAFIGNDP-FCHUYYIVSA-N 2 1 487.616 3.428 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4ccc(C(=O)OC)cc4)CC3)cc2)CC1 ZINC000012242914 555945799 /nfs/dbraw/zinc/94/57/99/555945799.db2.gz FJGNVFZNRMIWDS-UHFFFAOYSA-N 2 1 464.610 3.010 50 0 JGAAMP COCC[N@H+]1CC[C@H](CN(C)C(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)C1 ZINC000215828168 569877780 /nfs/dbraw/zinc/87/77/80/569877780.db2.gz JFLWNGWXNCZFGP-CJFMBICVSA-N 2 1 455.574 3.188 50 0 JGAAMP COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+][C@@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603609 570104348 /nfs/dbraw/zinc/10/43/48/570104348.db2.gz LPAQKOAXBUOSOC-UNMCSNQZSA-N 2 1 461.610 3.126 50 0 JGAAMP COc1ccc(CCNC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CC[NH+](C)CC2)cc1 ZINC000299798771 570177338 /nfs/dbraw/zinc/17/73/38/570177338.db2.gz SIMFGDZRNSJYJB-XTEPFMGCSA-N 2 1 478.681 3.272 50 0 JGAAMP CC1=C(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868398 520797034 /nfs/dbraw/zinc/79/70/34/520797034.db2.gz OFADJQIHKOFMLV-OYRHEFFESA-N 2 1 453.627 3.379 50 0 biogenic JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC000014750968 523610959 /nfs/dbraw/zinc/61/09/59/523610959.db2.gz MDYBMCWFAMATMJ-GOSISDBHSA-N 2 1 479.547 3.226 50 0 JGAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[NH+](Cc2ccncc2)C1 ZINC000014742673 523823752 /nfs/dbraw/zinc/82/37/52/523823752.db2.gz WOUXUFXYIKLUSA-WMTXJRDZSA-N 2 1 454.590 3.338 50 0 JGAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014742673 523823762 /nfs/dbraw/zinc/82/37/62/523823762.db2.gz WOUXUFXYIKLUSA-WMTXJRDZSA-N 2 1 454.590 3.338 50 0 JGAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014742673 523823770 /nfs/dbraw/zinc/82/37/70/523823770.db2.gz WOUXUFXYIKLUSA-WMTXJRDZSA-N 2 1 454.590 3.338 50 0 JGAAMP Cc1ccccc1-c1cccc(C[NH+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[N@H+](C)C4)n3CC2)c1 ZINC000020235410 555727731 /nfs/dbraw/zinc/72/77/31/555727731.db2.gz KIGATMGLBQJYPY-RUZDIDTESA-N 2 1 486.664 3.312 50 0 JGAAMP Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000020235410 555727732 /nfs/dbraw/zinc/72/77/32/555727732.db2.gz KIGATMGLBQJYPY-RUZDIDTESA-N 2 1 486.664 3.312 50 0 JGAAMP Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000020235410 555727733 /nfs/dbraw/zinc/72/77/33/555727733.db2.gz KIGATMGLBQJYPY-RUZDIDTESA-N 2 1 486.664 3.312 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000014538746 555828305 /nfs/dbraw/zinc/82/83/05/555828305.db2.gz JKKIYKJEDUQJNR-IBGZPJMESA-N 2 1 463.548 3.347 50 0 JGAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCCc2cccc(F)c2)CC1 ZINC000020600794 555841674 /nfs/dbraw/zinc/84/16/74/555841674.db2.gz PRAFMVKYAVRUCF-AHKZPQOWSA-N 2 1 466.645 3.403 50 0 JGAAMP CCN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)CC1 ZINC000035562281 569704771 /nfs/dbraw/zinc/70/47/71/569704771.db2.gz OSPHXLYDRADTDE-UHFFFAOYSA-N 2 1 460.066 3.188 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871448 569718799 /nfs/dbraw/zinc/71/87/99/569718799.db2.gz BZMVDQLVXDFWIR-JTHBVZDNSA-N 2 1 478.534 3.385 50 0 JGAAMP COc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc(Br)c1O ZINC000009833619 522364421 /nfs/dbraw/zinc/36/44/21/522364421.db2.gz YFMBIGRYRZAEMX-UHFFFAOYSA-N 2 1 456.425 3.079 50 0 JGAAMP CC[C@H](C)[N@@H+](CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C)Cc1ccco1 ZINC000064957328 523936398 /nfs/dbraw/zinc/93/63/98/523936398.db2.gz SNEBESCNQRAIQE-KRWDZBQOSA-N 2 1 470.643 3.375 50 0 JGAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[N@@H+]3C)C[NH+](Cc3ccc(O)cc3)C2)cn1 ZINC000014748644 525438960 /nfs/dbraw/zinc/43/89/60/525438960.db2.gz JJKOZGHJHHWOLD-RBZQAINGSA-N 2 1 466.626 3.213 50 0 JGAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[N@@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014748644 525438975 /nfs/dbraw/zinc/43/89/75/525438975.db2.gz JJKOZGHJHHWOLD-RBZQAINGSA-N 2 1 466.626 3.213 50 0 JGAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[N@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014748644 525438984 /nfs/dbraw/zinc/43/89/84/525438984.db2.gz JJKOZGHJHHWOLD-RBZQAINGSA-N 2 1 466.626 3.213 50 0 JGAAMP COc1ccc(C[NH2+]Cc2[nH]nc3c2CCC3)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011817280 555831235 /nfs/dbraw/zinc/83/12/35/555831235.db2.gz OXIOYPJCBMIFFY-OAQYLSRUSA-N 2 1 450.583 3.069 50 0 JGAAMP CC[NH+](CC)CCN(C)C(=O)CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000011910012 555857424 /nfs/dbraw/zinc/85/74/24/555857424.db2.gz LGPGLGFFCITTAZ-UKILVPOCSA-N 2 1 479.109 3.443 50 0 JGAAMP CC[NH+](CC)CCN(C)C(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1 ZINC000011910012 555857426 /nfs/dbraw/zinc/85/74/26/555857426.db2.gz LGPGLGFFCITTAZ-UKILVPOCSA-N 2 1 479.109 3.443 50 0 JGAAMP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCCC[NH+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726238 555964039 /nfs/dbraw/zinc/96/40/39/555964039.db2.gz FHDQUBOJDAFCFL-FPOVZHCZSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCCC[NH+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726238 555964040 /nfs/dbraw/zinc/96/40/40/555964040.db2.gz FHDQUBOJDAFCFL-FPOVZHCZSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@H](C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726238 555964042 /nfs/dbraw/zinc/96/40/42/555964042.db2.gz FHDQUBOJDAFCFL-FPOVZHCZSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@H](C(=O)NCCC[N@H+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726238 555964043 /nfs/dbraw/zinc/96/40/43/555964043.db2.gz FHDQUBOJDAFCFL-FPOVZHCZSA-N 2 1 485.629 3.347 50 0 JGAAMP Cn1c2c(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836183 569636829 /nfs/dbraw/zinc/63/68/29/569636829.db2.gz LDEZOXWJDNPCDA-UHFFFAOYSA-N 2 1 496.615 3.439 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678938 569869401 /nfs/dbraw/zinc/86/94/01/569869401.db2.gz PHUHFXIIKSROFJ-GGAORHGYSA-N 2 1 460.544 3.246 50 0 JGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+]([C@H](C)CCc1ccc(OC)cc1)CC2 ZINC000248199061 570076103 /nfs/dbraw/zinc/07/61/03/570076103.db2.gz TWIOSUZMKRTELR-FYYLOGMGSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+]([C@H](C)CCc1ccc(OC)cc1)CC2 ZINC000248199061 570076104 /nfs/dbraw/zinc/07/61/04/570076104.db2.gz TWIOSUZMKRTELR-FYYLOGMGSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+]([C@H](C)CCc1ccc(OC)cc1)CC2 ZINC000248199061 570076106 /nfs/dbraw/zinc/07/61/06/570076106.db2.gz TWIOSUZMKRTELR-FYYLOGMGSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[C@@H]1c2ccsc2CCN1CC(=O)NCCNC(=O)C[N@H+]1CCc2sccc2[C@H]1CC ZINC000252019607 570079861 /nfs/dbraw/zinc/07/98/61/570079861.db2.gz XOYAKUJSTUEBGY-WOJBJXKFSA-N 2 1 474.696 3.361 50 0 JGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[NH+](Cc2ccc3ccccc3c2)C1 ZINC000014741404 521656110 /nfs/dbraw/zinc/65/61/10/521656110.db2.gz KTDWIPLZTCWMHI-RTVRTQBESA-N 2 1 478.681 3.211 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741404 521656113 /nfs/dbraw/zinc/65/61/13/521656113.db2.gz KTDWIPLZTCWMHI-RTVRTQBESA-N 2 1 478.681 3.211 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741404 521656115 /nfs/dbraw/zinc/65/61/15/521656115.db2.gz KTDWIPLZTCWMHI-RTVRTQBESA-N 2 1 478.681 3.211 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4cccc(OC)c4OC)CC3)cc2)CC1 ZINC000012247151 521670202 /nfs/dbraw/zinc/67/02/02/521670202.db2.gz BWRBBRWGEYCYJH-UHFFFAOYSA-N 2 1 466.626 3.240 50 0 JGAAMP CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000014743340 521929121 /nfs/dbraw/zinc/92/91/21/521929121.db2.gz NKKRBUHRSZECSE-XMMPIXPASA-N 2 1 457.622 3.403 50 0 JGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+]([C@@H](C)CCc1ccc(OC)cc1)CC2 ZINC000014536729 555826076 /nfs/dbraw/zinc/82/60/76/555826076.db2.gz TWIOSUZMKRTELR-JTHBVZDNSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+]([C@@H](C)CCc1ccc(OC)cc1)CC2 ZINC000014536729 555826077 /nfs/dbraw/zinc/82/60/77/555826077.db2.gz TWIOSUZMKRTELR-JTHBVZDNSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+]([C@@H](C)CCc1ccc(OC)cc1)CC2 ZINC000014536729 555826079 /nfs/dbraw/zinc/82/60/79/555826079.db2.gz TWIOSUZMKRTELR-JTHBVZDNSA-N 2 1 497.684 3.132 50 0 JGAAMP CCC[NH+]1CCC([N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000011880236 555848337 /nfs/dbraw/zinc/84/83/37/555848337.db2.gz MYOAVNZXDRQKAI-IRLDBZIGSA-N 2 1 459.631 3.400 50 0 JGAAMP CC[NH+]1CCN(C(=O)CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)CC1 ZINC000015072755 555871647 /nfs/dbraw/zinc/87/16/47/555871647.db2.gz PJVIKWYIXBMEEE-XTEPFMGCSA-N 2 1 478.681 3.307 50 0 JGAAMP CC[NH+]1CCN(C(=O)CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)CC1 ZINC000015072755 555871650 /nfs/dbraw/zinc/87/16/50/555871650.db2.gz PJVIKWYIXBMEEE-XTEPFMGCSA-N 2 1 478.681 3.307 50 0 JGAAMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011969007 555873016 /nfs/dbraw/zinc/87/30/16/555873016.db2.gz ABQUMOHKQZKJIV-HXUWFJFHSA-N 2 1 484.648 3.427 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035871207 569718533 /nfs/dbraw/zinc/71/85/33/569718533.db2.gz PHUHFXIIKSROFJ-FYYLOGMGSA-N 2 1 460.544 3.246 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678939 569869436 /nfs/dbraw/zinc/86/94/36/569869436.db2.gz PHUHFXIIKSROFJ-GMAHTHKFSA-N 2 1 460.544 3.246 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC000014750966 523609856 /nfs/dbraw/zinc/60/98/56/523609856.db2.gz MDYBMCWFAMATMJ-SFHVURJKSA-N 2 1 479.547 3.226 50 0 JGAAMP Cc1ccccc1-c1cccc(C[NH+]2CCc3nnc(CCNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)c1 ZINC000020235414 555727645 /nfs/dbraw/zinc/72/76/45/555727645.db2.gz KIGATMGLBQJYPY-VWLOTQADSA-N 2 1 486.664 3.312 50 0 JGAAMP Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000020235414 555727650 /nfs/dbraw/zinc/72/76/50/555727650.db2.gz KIGATMGLBQJYPY-VWLOTQADSA-N 2 1 486.664 3.312 50 0 JGAAMP Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000020235414 555727654 /nfs/dbraw/zinc/72/76/54/555727654.db2.gz KIGATMGLBQJYPY-VWLOTQADSA-N 2 1 486.664 3.312 50 0 JGAAMP CCCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726083 555963089 /nfs/dbraw/zinc/96/30/89/555963089.db2.gz LOGJLAOHDOTSGF-FQEVSTJZSA-N 2 1 473.618 3.204 50 0 JGAAMP CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726083 555963091 /nfs/dbraw/zinc/96/30/91/555963091.db2.gz LOGJLAOHDOTSGF-FQEVSTJZSA-N 2 1 473.618 3.204 50 0 JGAAMP CCCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726083 555963097 /nfs/dbraw/zinc/96/30/97/555963097.db2.gz LOGJLAOHDOTSGF-FQEVSTJZSA-N 2 1 473.618 3.204 50 0 JGAAMP CCCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726083 555963102 /nfs/dbraw/zinc/96/31/02/555963102.db2.gz LOGJLAOHDOTSGF-FQEVSTJZSA-N 2 1 473.618 3.204 50 0 JGAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000008721399 569598557 /nfs/dbraw/zinc/59/85/57/569598557.db2.gz ZZRRRWGGBIYPJJ-QHCPKHFHSA-N 2 1 450.583 3.375 50 0 JGAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000008721399 569598559 /nfs/dbraw/zinc/59/85/59/569598559.db2.gz ZZRRRWGGBIYPJJ-QHCPKHFHSA-N 2 1 450.583 3.375 50 0 JGAAMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573919 569611389 /nfs/dbraw/zinc/61/13/89/569611389.db2.gz BJZMTHAITSXWLM-AVRDEDQJSA-N 2 1 485.028 3.475 50 0 JGAAMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573919 569611390 /nfs/dbraw/zinc/61/13/90/569611390.db2.gz BJZMTHAITSXWLM-AVRDEDQJSA-N 2 1 485.028 3.475 50 0 JGAAMP COc1cccc(N2CC[NH+](Cc3c([O-])c(C[N@H+]4CCc5ccccc5C4)coc3=O)CC2)c1 ZINC000252510705 570082741 /nfs/dbraw/zinc/08/27/41/570082741.db2.gz ZORKVNFIHOZFFU-UHFFFAOYSA-N 2 1 461.562 3.235 50 0 JGAAMP COc1cccc(CNC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CC[NH+](C)CC2)c1OC ZINC000299783022 570176540 /nfs/dbraw/zinc/17/65/40/570176540.db2.gz YYMMWVCODCXLLK-IZZNHLLZSA-N 2 1 494.680 3.238 50 0 JGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[NH+](Cc2ccc3ccccc3c2)C1 ZINC000014741403 521637919 /nfs/dbraw/zinc/63/79/19/521637919.db2.gz KTDWIPLZTCWMHI-RYRVMRHHSA-N 2 1 478.681 3.211 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741403 521637923 /nfs/dbraw/zinc/63/79/23/521637923.db2.gz KTDWIPLZTCWMHI-RYRVMRHHSA-N 2 1 478.681 3.211 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741403 521637926 /nfs/dbraw/zinc/63/79/26/521637926.db2.gz KTDWIPLZTCWMHI-RYRVMRHHSA-N 2 1 478.681 3.211 50 0 JGAAMP CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000014743341 521929141 /nfs/dbraw/zinc/92/91/41/521929141.db2.gz NKKRBUHRSZECSE-DEOSSOPVSA-N 2 1 457.622 3.403 50 0 JGAAMP C[N@H+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[NH+](Cc2ccc(-c4ccccc4)cc2)CC3)C1 ZINC000014881786 523838272 /nfs/dbraw/zinc/83/82/72/523838272.db2.gz MLYBRAMALWPJNE-VWLOTQADSA-N 2 1 472.637 3.004 50 0 JGAAMP C[NH+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(-c4ccccc4)cc2)CC3)C1 ZINC000014881786 523838276 /nfs/dbraw/zinc/83/82/76/523838276.db2.gz MLYBRAMALWPJNE-VWLOTQADSA-N 2 1 472.637 3.004 50 0 JGAAMP C[NH+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4)cc2)CC3)C1 ZINC000014881786 523838279 /nfs/dbraw/zinc/83/82/79/523838279.db2.gz MLYBRAMALWPJNE-VWLOTQADSA-N 2 1 472.637 3.004 50 0 JGAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000008721397 569598513 /nfs/dbraw/zinc/59/85/13/569598513.db2.gz ZZRRRWGGBIYPJJ-HSZRJFAPSA-N 2 1 450.583 3.375 50 0 JGAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000008721397 569598514 /nfs/dbraw/zinc/59/85/14/569598514.db2.gz ZZRRRWGGBIYPJJ-HSZRJFAPSA-N 2 1 450.583 3.375 50 0 JGAAMP COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+][C@@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603606 570104372 /nfs/dbraw/zinc/10/43/72/570104372.db2.gz LPAQKOAXBUOSOC-RBBKRZOGSA-N 2 1 461.610 3.126 50 0 JGAAMP COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+][C@H](C)C4)C3)nc3ccccc32)cc1 ZINC000253603601 570104416 /nfs/dbraw/zinc/10/44/16/570104416.db2.gz LPAQKOAXBUOSOC-IFMALSPDSA-N 2 1 461.610 3.126 50 0 JGAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[NH+](C)C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014732769 524042118 /nfs/dbraw/zinc/04/21/18/524042118.db2.gz RAFUAADOVIJFHF-LEWJYISDSA-N 2 1 473.589 3.038 50 0 JGAAMP Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)CCc3nc(C4=CC[N@@H+](C)CC4)no3)CC2)c1 ZINC000033069183 524100264 /nfs/dbraw/zinc/10/02/64/524100264.db2.gz FDQVTRCZXBOLAE-UHFFFAOYSA-N 2 1 451.615 3.366 50 0 JGAAMP Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)CC1 ZINC000033069172 524734696 /nfs/dbraw/zinc/73/46/96/524734696.db2.gz VJNXIWPIIRRXNU-UHFFFAOYSA-N 2 1 487.048 3.011 50 0 JGAAMP C[C@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011969015 555872896 /nfs/dbraw/zinc/87/28/96/555872896.db2.gz ABQUMOHKQZKJIV-FQEVSTJZSA-N 2 1 484.648 3.427 50 0 JGAAMP C[C@H](C1CCN(C(=O)CC[N@@H+]2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1)[NH+]1CCOCC1 ZINC000012162105 555931268 /nfs/dbraw/zinc/93/12/68/555931268.db2.gz JOGGURQWQNYTPZ-RTBURBONSA-N 2 1 450.023 3.272 50 0 JGAAMP Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c2C2CC[NH2+]CC2)cc1 ZINC000015722097 555956490 /nfs/dbraw/zinc/95/64/90/555956490.db2.gz IDTNYEYMWCDADY-UHFFFAOYSA-N 2 1 472.637 3.200 50 0 JGAAMP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCCC[NH+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726236 555963845 /nfs/dbraw/zinc/96/38/45/555963845.db2.gz FHDQUBOJDAFCFL-PZJWPPBQSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCCC[NH+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726236 555963849 /nfs/dbraw/zinc/96/38/49/555963849.db2.gz FHDQUBOJDAFCFL-PZJWPPBQSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726236 555963853 /nfs/dbraw/zinc/96/38/53/555963853.db2.gz FHDQUBOJDAFCFL-PZJWPPBQSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)NCCC[N@H+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726236 555963857 /nfs/dbraw/zinc/96/38/57/555963857.db2.gz FHDQUBOJDAFCFL-PZJWPPBQSA-N 2 1 485.629 3.347 50 0 JGAAMP CCC[NH+](CC1CC1)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([N@@H+](CCC)CC4CC4)C3=O)cc2)C1=O ZINC000017166634 556230168 /nfs/dbraw/zinc/23/01/68/556230168.db2.gz DNQLRXCCTIPAPK-ZEQRLZLVSA-N 2 1 494.636 3.194 50 0 JGAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccccc2F)CC1 ZINC000299790815 570177037 /nfs/dbraw/zinc/17/70/37/570177037.db2.gz CPGDUODWUCWIPD-AZGAKELHSA-N 2 1 452.618 3.360 50 0 JGAAMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3cccc(I)c3)CC2)C[C@H](C)O1 ZINC000058224412 195374493 /nfs/dbraw/zinc/37/44/93/195374493.db2.gz HKVRWPAIAMZYBL-HOTGVXAUSA-N 2 1 471.383 3.051 50 0 JGAAMP Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H]([NH2+]C2CC[NH+](Cc4ccccc4)CC2)CC3)o1 ZINC000014535325 524568006 /nfs/dbraw/zinc/56/80/06/524568006.db2.gz DZQMFPHITKFDSA-QFIPXVFZSA-N 2 1 461.610 3.363 50 0 JGAAMP Cc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048224 525609549 /nfs/dbraw/zinc/60/95/49/525609549.db2.gz VPOLQAUMYHYPRF-UHFFFAOYSA-N 2 1 452.628 3.003 50 0 JGAAMP CCCC[N@H+](CC)CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009226013 554998565 /nfs/dbraw/zinc/99/85/65/554998565.db2.gz WEYQLIIGFIIPIE-UHFFFAOYSA-N 2 1 473.618 3.204 50 0 JGAAMP CCCC[N@@H+](CC)CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009226013 554998567 /nfs/dbraw/zinc/99/85/67/554998567.db2.gz WEYQLIIGFIIPIE-UHFFFAOYSA-N 2 1 473.618 3.204 50 0 JGAAMP CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000019890128 555529468 /nfs/dbraw/zinc/52/94/68/555529468.db2.gz VYBDTTVHOOGZMG-QHCPKHFHSA-N 2 1 455.599 3.329 50 0 JGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+]([C@@H](C)CCc1ccc(OC)cc1)CC2 ZINC000014536730 555826105 /nfs/dbraw/zinc/82/61/05/555826105.db2.gz TWIOSUZMKRTELR-GMAHTHKFSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+]([C@@H](C)CCc1ccc(OC)cc1)CC2 ZINC000014536730 555826107 /nfs/dbraw/zinc/82/61/07/555826107.db2.gz TWIOSUZMKRTELR-GMAHTHKFSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+]([C@@H](C)CCc1ccc(OC)cc1)CC2 ZINC000014536730 555826108 /nfs/dbraw/zinc/82/61/08/555826108.db2.gz TWIOSUZMKRTELR-GMAHTHKFSA-N 2 1 497.684 3.132 50 0 JGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](CC(C)C)C1 ZINC000014543554 555834657 /nfs/dbraw/zinc/83/46/57/555834657.db2.gz NPAWDSJRVWMPSJ-JBRSBNLGSA-N 2 1 454.659 3.308 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CC(C)C)C1 ZINC000014543554 555834659 /nfs/dbraw/zinc/83/46/59/555834659.db2.gz NPAWDSJRVWMPSJ-JBRSBNLGSA-N 2 1 454.659 3.308 50 0 JGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CC(C)C)C1 ZINC000014543554 555834663 /nfs/dbraw/zinc/83/46/63/555834663.db2.gz NPAWDSJRVWMPSJ-JBRSBNLGSA-N 2 1 454.659 3.308 50 0 JGAAMP C[C@H](C1CCN(C(=O)CC[N@@H+]2Cc3cc(Cl)ccc3O[C@@H](C)C2)CC1)[NH+]1CCOCC1 ZINC000012162112 555931228 /nfs/dbraw/zinc/93/12/28/555931228.db2.gz JOGGURQWQNYTPZ-RBUKOAKNSA-N 2 1 450.023 3.272 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCC[NH+]4CCCCCC4)CC3)n2)cc1OC ZINC000015726515 555965134 /nfs/dbraw/zinc/96/51/34/555965134.db2.gz PLKPHKOMPAEUBA-UHFFFAOYSA-N 2 1 485.629 3.348 50 0 JGAAMP CCC[NH+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H]([N@@H+](CCC)CC4CC4)C3=O)cc2)C1=O ZINC000169620552 569868374 /nfs/dbraw/zinc/86/83/74/569868374.db2.gz DNQLRXCCTIPAPK-DNQXCXABSA-N 2 1 494.636 3.194 50 0 JGAAMP COc1ccccc1CCNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000299799686 570177310 /nfs/dbraw/zinc/17/73/10/570177310.db2.gz XTODROJVOKBOHN-RRPNLBNLSA-N 2 1 478.681 3.272 50 0 JGAAMP C[NH+](CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1)Cc1ccccc1 ZINC000004428201 194389891 /nfs/dbraw/zinc/38/98/91/194389891.db2.gz FUSOZFOKXYRTNU-UHFFFAOYSA-N 2 1 458.606 3.410 50 0 JGAAMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3cccc(I)c3)CC2)C[C@@H](C)O1 ZINC000058224414 195374465 /nfs/dbraw/zinc/37/44/65/195374465.db2.gz HKVRWPAIAMZYBL-HZPDHXFCSA-N 2 1 471.383 3.051 50 0 JGAAMP CC[N@@H+](CCCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C)Cc1ccccc1 ZINC000033048223 521021812 /nfs/dbraw/zinc/02/18/12/521021812.db2.gz BXKLKBJPHARQGB-UHFFFAOYSA-N 2 1 466.655 3.394 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC000014754519 523608969 /nfs/dbraw/zinc/60/89/69/523608969.db2.gz HZJYTWROGIVPRF-GOSISDBHSA-N 2 1 479.547 3.226 50 0 JGAAMP C[N@H+]1CCCN(C(=O)CC[C@H]2C[NH+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)CC1 ZINC000014993074 523800880 /nfs/dbraw/zinc/80/08/80/523800880.db2.gz SRJSHAOVNFPQIK-XTEPFMGCSA-N 2 1 478.681 3.307 50 0 JGAAMP C[NH+]1CCCN(C(=O)CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)CC1 ZINC000014993074 523800883 /nfs/dbraw/zinc/80/08/83/523800883.db2.gz SRJSHAOVNFPQIK-XTEPFMGCSA-N 2 1 478.681 3.307 50 0 JGAAMP C[NH+]1CCCN(C(=O)CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)CC1 ZINC000014993074 523800889 /nfs/dbraw/zinc/80/08/89/523800889.db2.gz SRJSHAOVNFPQIK-XTEPFMGCSA-N 2 1 478.681 3.307 50 0 JGAAMP Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H]([NH2+]C2CC[NH+](Cc4ccccc4)CC2)CC3)o1 ZINC000014535324 555824272 /nfs/dbraw/zinc/82/42/72/555824272.db2.gz DZQMFPHITKFDSA-JOCHJYFZSA-N 2 1 461.610 3.363 50 0 JGAAMP COc1ccc(C[NH2+]Cc2[nH]nc3c2CCC3)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011817279 555831140 /nfs/dbraw/zinc/83/11/40/555831140.db2.gz OXIOYPJCBMIFFY-NRFANRHFSA-N 2 1 450.583 3.069 50 0 JGAAMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)OC)C2)CC1 ZINC000014999273 555843656 /nfs/dbraw/zinc/84/36/56/555843656.db2.gz QYXQLFULUNCHNE-WIOPSUGQSA-N 2 1 474.665 3.466 50 0 JGAAMP CCC[NH+]1CCC([N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)OC)C2)CC1 ZINC000014999273 555843660 /nfs/dbraw/zinc/84/36/60/555843660.db2.gz QYXQLFULUNCHNE-WIOPSUGQSA-N 2 1 474.665 3.466 50 0 JGAAMP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726209 555964003 /nfs/dbraw/zinc/96/40/03/555964003.db2.gz VBPOPNXCASTDCP-HXUWFJFHSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726209 555964005 /nfs/dbraw/zinc/96/40/05/555964005.db2.gz VBPOPNXCASTDCP-HXUWFJFHSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726209 555964006 /nfs/dbraw/zinc/96/40/06/555964006.db2.gz VBPOPNXCASTDCP-HXUWFJFHSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)NCC[N@@H+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726209 555964008 /nfs/dbraw/zinc/96/40/08/555964008.db2.gz VBPOPNXCASTDCP-HXUWFJFHSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCC[NH+]4CCC(C)CC4)CC3)n2)cc1OC ZINC000015726345 555964411 /nfs/dbraw/zinc/96/44/11/555964411.db2.gz IHGZYSNJRCQBOV-UHFFFAOYSA-N 2 1 485.629 3.204 50 0 JGAAMP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCCC[NH+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000035331936 569681048 /nfs/dbraw/zinc/68/10/48/569681048.db2.gz FHDQUBOJDAFCFL-TZIWHRDSSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCCC[NH+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000035331936 569681050 /nfs/dbraw/zinc/68/10/50/569681050.db2.gz FHDQUBOJDAFCFL-TZIWHRDSSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)NCCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000035331936 569681052 /nfs/dbraw/zinc/68/10/52/569681052.db2.gz FHDQUBOJDAFCFL-TZIWHRDSSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)NCCC[N@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000035331936 569681054 /nfs/dbraw/zinc/68/10/54/569681054.db2.gz FHDQUBOJDAFCFL-TZIWHRDSSA-N 2 1 485.629 3.347 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681920 569870913 /nfs/dbraw/zinc/87/09/13/569870913.db2.gz BZMVDQLVXDFWIR-GMAHTHKFSA-N 2 1 478.534 3.385 50 0 JGAAMP COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CC[NH2+][C@@H](C)C4)CC3)nc3ccccc32)cc1 ZINC000253602618 570104275 /nfs/dbraw/zinc/10/42/75/570104275.db2.gz DDIPJIUBQLATRD-FQEVSTJZSA-N 2 1 461.610 3.126 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000014733044 523610657 /nfs/dbraw/zinc/61/06/57/523610657.db2.gz IXKGJDPMFAGMTO-DEOSSOPVSA-N 2 1 463.670 3.493 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2 ZINC000014745650 523610701 /nfs/dbraw/zinc/61/07/01/523610701.db2.gz QCBJQNXXKDLORL-LZQJVVKJSA-N 2 1 453.675 3.200 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC000014754516 523610825 /nfs/dbraw/zinc/61/08/25/523610825.db2.gz HZJYTWROGIVPRF-SFHVURJKSA-N 2 1 479.547 3.226 50 0 JGAAMP C[NH+](C)CCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014743359 524056243 /nfs/dbraw/zinc/05/62/43/524056243.db2.gz CMSPLLIIYNFPNR-BJKOFHAPSA-N 2 1 478.637 3.026 50 0 JGAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014750659 524056556 /nfs/dbraw/zinc/05/65/56/524056556.db2.gz QZCJHSGYUFXEQP-WIOPSUGQSA-N 2 1 465.638 3.466 50 0 JGAAMP O[C@@H](COc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1)C[NH+]1CCc2ccccc2C1 ZINC000008833894 554731492 /nfs/dbraw/zinc/73/14/92/554731492.db2.gz SXQYYQFUIJJVEI-VSGBNLITSA-N 2 1 488.628 3.283 50 0 JGAAMP CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000014541857 555832329 /nfs/dbraw/zinc/83/23/29/555832329.db2.gz PVLHSWYWKQMWCK-JOCHJYFZSA-N 2 1 461.610 3.397 50 0 JGAAMP CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000014541858 555832336 /nfs/dbraw/zinc/83/23/36/555832336.db2.gz PVLHSWYWKQMWCK-QFIPXVFZSA-N 2 1 461.610 3.397 50 0 JGAAMP COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2 ZINC000012190420 555937412 /nfs/dbraw/zinc/93/74/12/555937412.db2.gz KOFXJFQHQHKQFW-QFIPXVFZSA-N 2 1 488.702 3.234 50 0 JGAAMP COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2 ZINC000012190420 555937415 /nfs/dbraw/zinc/93/74/15/555937415.db2.gz KOFXJFQHQHKQFW-QFIPXVFZSA-N 2 1 488.702 3.234 50 0 JGAAMP CC[N@@H+](CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C)Cc1ccccc1 ZINC000033048314 521076141 /nfs/dbraw/zinc/07/61/41/521076141.db2.gz LGMGRUAPGCUQFU-UHFFFAOYSA-N 2 1 452.628 3.003 50 0 JGAAMP CC[C@@H](C)[N@@H+](CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C)Cc1ccco1 ZINC000064957326 522089551 /nfs/dbraw/zinc/08/95/51/522089551.db2.gz SNEBESCNQRAIQE-QGZVFWFLSA-N 2 1 470.643 3.375 50 0 JGAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2 ZINC000014745649 523611045 /nfs/dbraw/zinc/61/10/45/523611045.db2.gz QCBJQNXXKDLORL-OAQUMOLUSA-N 2 1 453.675 3.200 50 0 JGAAMP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726211 555964022 /nfs/dbraw/zinc/96/40/22/555964022.db2.gz VBPOPNXCASTDCP-FQEVSTJZSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCC[NH+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726211 555964023 /nfs/dbraw/zinc/96/40/23/555964023.db2.gz VBPOPNXCASTDCP-FQEVSTJZSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726211 555964024 /nfs/dbraw/zinc/96/40/24/555964024.db2.gz VBPOPNXCASTDCP-FQEVSTJZSA-N 2 1 485.629 3.347 50 0 JGAAMP COc1ccc(-c2noc(C[NH+]3CCC[C@H](C(=O)NCC[N@@H+](C)C4CCCCC4)C3)n2)cc1OC ZINC000015726211 555964025 /nfs/dbraw/zinc/96/40/25/555964025.db2.gz VBPOPNXCASTDCP-FQEVSTJZSA-N 2 1 485.629 3.347 50 0 JGAAMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573921 569611429 /nfs/dbraw/zinc/61/14/29/569611429.db2.gz BJZMTHAITSXWLM-GCJKJVERSA-N 2 1 485.028 3.475 50 0 JGAAMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000062573921 569611431 /nfs/dbraw/zinc/61/14/31/569611431.db2.gz BJZMTHAITSXWLM-GCJKJVERSA-N 2 1 485.028 3.475 50 0 JGAAMP Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2)c2ccccc21 ZINC000035562264 569704795 /nfs/dbraw/zinc/70/47/95/569704795.db2.gz OFSHITKFLOZQGA-UHFFFAOYSA-N 2 1 459.638 3.329 50 0 JGAAMP C[NH+](C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035871208 569718407 /nfs/dbraw/zinc/71/84/07/569718407.db2.gz PHUHFXIIKSROFJ-JTHBVZDNSA-N 2 1 460.544 3.246 50 0 JGAAMP COc1cc(CNC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CC[NH+](C)CC2)cc(OC)c1 ZINC000299765028 570175030 /nfs/dbraw/zinc/17/50/30/570175030.db2.gz ZCUVCEXTSUJUES-LBNVMWSVSA-N 2 1 494.680 3.238 50 0 JGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4nc5cc(F)ccc5[nH]4)CC3)cc2)CC1 ZINC000299785136 570176658 /nfs/dbraw/zinc/17/66/58/570176658.db2.gz JLPBQSTWKKTMBX-UHFFFAOYSA-N 2 1 464.589 3.238 50 0 JGAAMP