smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC/C=C1/c2ccccc2CSc2ccccc21 ZINC000000001329 169502929 /nfs/dbraw/zinc/50/29/29/169502929.db2.gz PHTUQLWOUWZIMZ-BOPFTXTBSA-N 1 0 295.451 4.676 40 0 world CJABRO CCS/C(=C/c1sc2ccccc2[n+]1C)C(C)(C)C ZINC000000144172 567923838 /nfs/dbraw/zinc/92/38/38/567923838.db2.gz SARPOCZSWDWMOD-SDNWHVSQSA-N 1 0 292.493 4.866 40 0 CJABRO COc1ccc2[nH+]c(C)cc(Nc3ccc(C)cc3)c2c1 ZINC000000258518 567929628 /nfs/dbraw/zinc/92/96/28/567929628.db2.gz FSTXEKVUDUSWDV-UHFFFAOYSA-N 1 0 278.355 4.604 40 0 CJABRO CCOc1ccccc1Nc1cc(C)[nH+]c2ccc(C)cc12 ZINC000000303333 567929421 /nfs/dbraw/zinc/92/94/21/567929421.db2.gz YLWBPSUKNHGEMU-UHFFFAOYSA-N 1 0 292.382 4.994 40 0 CJABRO CC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1 ZINC000000303339 567929649 /nfs/dbraw/zinc/92/96/49/567929649.db2.gz RYSOBSPYPVTLDS-UHFFFAOYSA-N 1 0 290.366 4.798 40 0 CJABRO CC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000000303343 169602905 /nfs/dbraw/zinc/60/29/05/169602905.db2.gz LIUFYSTXJLHGRW-UHFFFAOYSA-N 1 0 290.366 4.798 40 0 CJABRO COc1ccc2[nH+]c(C)cc(Nc3ccccc3C)c2c1 ZINC000000303349 567929581 /nfs/dbraw/zinc/92/95/81/567929581.db2.gz ADKCJEMQOZYKNC-UHFFFAOYSA-N 1 0 278.355 4.604 40 0 CJABRO COc1ccc2[nH+]c(C)cc(Nc3cccc(C)c3)c2c1 ZINC000000303352 567929460 /nfs/dbraw/zinc/92/94/60/567929460.db2.gz RLZWJGWQCDYWBT-UHFFFAOYSA-N 1 0 278.355 4.604 40 0 CJABRO CC/C(=C/c1sc2ccc(C)cc2[n+]1CC)SC ZINC000000343718 567929481 /nfs/dbraw/zinc/92/94/81/567929481.db2.gz LKMHXBCVFAUCNJ-BENRWUELSA-N 1 0 278.466 4.631 40 0 CJABRO Cc1ccn2c(c1)[nH+]c(C(C)C)c2NC1CCCCC1 ZINC000000411912 567929772 /nfs/dbraw/zinc/92/97/72/567929772.db2.gz ZBWSHOLUYWNVJW-UHFFFAOYSA-N 1 0 271.408 4.511 40 0 CJABRO Cc1cccn2c(NC3CCCCC3)c(C(C)C)[nH+]c12 ZINC000000904159 567835439 /nfs/dbraw/zinc/83/54/39/567835439.db2.gz CFZCWWIBOAZEPA-UHFFFAOYSA-N 1 0 271.408 4.511 40 0 CJABRO C[C@@H](CC1c2ccccc2CCc2ccccc21)C[NH+](C)C ZINC000001481747 567044443 /nfs/dbraw/zinc/04/44/43/567044443.db2.gz ALELTFCQZDXAMQ-INIZCTEOSA-N 1 0 293.454 4.505 40 0 in-man CJABRO C[NH+](CCC1CCCCC1)CCC1CCCCC1 ZINC000001482028 567837655 /nfs/dbraw/zinc/83/76/55/567837655.db2.gz VEKYMVTZQGCUAQ-UHFFFAOYSA-N 1 0 251.458 4.859 40 0 CJABRO c1ccc(C(CCNc2cc[nH+]cc2)c2ccccc2)cc1 ZINC000001482110 567837760 /nfs/dbraw/zinc/83/77/60/567837760.db2.gz KMZHYAUKFHLFNY-UHFFFAOYSA-N 1 0 288.394 4.716 40 0 in-man CJABRO CC(C)[NH2+]C1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000001482146 567837662 /nfs/dbraw/zinc/83/76/62/567837662.db2.gz SBEOBYJLAQKTQX-UHFFFAOYSA-N 1 0 293.454 4.913 40 0 in-man CJABRO CCCCN(CCCC)C(=[NH2+])c1c(C)cc(C)cc1C ZINC000001555481 567837900 /nfs/dbraw/zinc/83/79/00/567837900.db2.gz YWANEAFJMTZDDU-UHFFFAOYSA-N 1 0 274.452 4.839 40 0 CJABRO C[N@@H+](CCc1ccccc1)CCC1CCCCCC1 ZINC000001562283 567838043 /nfs/dbraw/zinc/83/80/43/567838043.db2.gz RNYYIQHBUWREGT-UHFFFAOYSA-N 1 0 259.437 4.521 40 0 CJABRO Cc1ccc([C@@H]2C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000001564590 567838067 /nfs/dbraw/zinc/83/80/67/567838067.db2.gz OUKQESPWKMGTJT-BVSLBCMMSA-N 1 0 298.409 4.505 40 0 CJABRO c1ccc2c(c1)-c1ccccc1C2[NH+]1CC2CCC(CC2)C1 ZINC000001569618 567838164 /nfs/dbraw/zinc/83/81/64/567838164.db2.gz ITCRAIAFSNWMER-UHFFFAOYSA-N 1 0 289.422 4.878 40 0 in-vitro CJABRO CC[NH+](CC)CCC(c1ccccc1)c1ccccc1 ZINC000001577142 567838449 /nfs/dbraw/zinc/83/84/49/567838449.db2.gz JAWDDAJYAYSIEW-UHFFFAOYSA-N 1 0 267.416 4.550 40 0 CJABRO CCCCN(CCCC)C(=[NH2+])c1ccccc1Cl ZINC000001583655 567838532 /nfs/dbraw/zinc/83/85/32/567838532.db2.gz QOACAZJRHYDELZ-UHFFFAOYSA-N 1 0 266.816 4.568 40 0 CJABRO CCCCN(CCCC)C(=[NH2+])c1ccc(Cl)cc1 ZINC000001583656 567838541 /nfs/dbraw/zinc/83/85/41/567838541.db2.gz PKPNNFLLPTYWNC-UHFFFAOYSA-N 1 0 266.816 4.568 40 0 CJABRO CCCCN(CCCC)C(=[NH2+])/C=C/c1ccccc1 ZINC000001583661 567838688 /nfs/dbraw/zinc/83/86/88/567838688.db2.gz TVQXOGUVWGNRIL-UAOQIXKOSA-N 1 0 258.409 4.579 40 0 CJABRO CC[NH+](CC)CCCC(c1ccccc1)c1ccccc1 ZINC000001592127 169721107 /nfs/dbraw/zinc/72/11/07/169721107.db2.gz WCVCKKXRDVWVTQ-UHFFFAOYSA-N 1 0 281.443 4.941 40 0 CJABRO CCC[NH+](CCC)CCC[C@H](O)c1cccc2ccccc21 ZINC000001592128 169721001 /nfs/dbraw/zinc/72/10/01/169721001.db2.gz DAURCWSUUVQABR-FQEVSTJZSA-N 1 0 299.458 4.775 40 0 CJABRO CCCC[C@@H]([C@H](O)c1ccc(C(C)C)cc1)[NH+](CC)CC ZINC000001595070 567839151 /nfs/dbraw/zinc/83/91/51/567839151.db2.gz CFGUECAJWJKTOW-RBUKOAKNSA-N 1 0 291.479 4.744 40 0 CJABRO CCCC[C@H]([C@H](O)c1ccc(C(C)C)cc1)[NH+](CC)CC ZINC000001595071 169721569 /nfs/dbraw/zinc/72/15/69/169721569.db2.gz CFGUECAJWJKTOW-RTBURBONSA-N 1 0 291.479 4.744 40 0 CJABRO CCCC[C@@H]([C@@H](O)c1ccc(C(C)C)cc1)[NH+](CC)CC ZINC000001595072 169721565 /nfs/dbraw/zinc/72/15/65/169721565.db2.gz CFGUECAJWJKTOW-OALUTQOASA-N 1 0 291.479 4.744 40 0 CJABRO CCCC[C@H]([C@@H](O)c1ccc(C(C)C)cc1)[NH+](CC)CC ZINC000001595073 169721599 /nfs/dbraw/zinc/72/15/99/169721599.db2.gz CFGUECAJWJKTOW-MOPGFXCFSA-N 1 0 291.479 4.744 40 0 CJABRO C[N@@H+]1CC[C@H](C=C2c3ccccc3Sc3ccccc32)C1 ZINC000001596430 567839113 /nfs/dbraw/zinc/83/91/13/567839113.db2.gz OHLZMPBUCRQNTN-CQSZACIVSA-N 1 0 293.435 4.535 40 0 CJABRO CC[NH2+][C@H]1CC[C@@H](C=C(c2ccccc2)c2ccccc2)C1 ZINC000001609664 567839497 /nfs/dbraw/zinc/83/94/97/567839497.db2.gz JULGNNTZJFSPEU-XLIONFOSSA-N 1 0 291.438 4.897 40 0 CJABRO CC[NH2+][C@@H]1CC[C@@H](C=C(c2ccccc2)c2ccccc2)C1 ZINC000001609665 567839259 /nfs/dbraw/zinc/83/92/59/567839259.db2.gz JULGNNTZJFSPEU-YLJYHZDGSA-N 1 0 291.438 4.897 40 0 CJABRO CC[NH2+][C@H]1CC[C@H](C=C(c2ccccc2)c2ccccc2)C1 ZINC000001609666 567839245 /nfs/dbraw/zinc/83/92/45/567839245.db2.gz JULGNNTZJFSPEU-PXNSSMCTSA-N 1 0 291.438 4.897 40 0 CJABRO CC[NH2+][C@@H]1CC[C@H](C=C(c2ccccc2)c2ccccc2)C1 ZINC000001609667 567839492 /nfs/dbraw/zinc/83/94/92/567839492.db2.gz JULGNNTZJFSPEU-FXAWDEMLSA-N 1 0 291.438 4.897 40 0 CJABRO CC[N@@H+]1CC[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000001628096 567839704 /nfs/dbraw/zinc/83/97/04/567839704.db2.gz WWDKBDJJPJAEBJ-QGZVFWFLSA-N 1 0 279.427 4.550 40 0 CJABRO O=C1CCCCCCCCCC[C@@H]1C[NH+]1CCCCC1 ZINC000001635091 169730199 /nfs/dbraw/zinc/73/01/99/169730199.db2.gz SHJUNEXYPDUTAL-QGZVFWFLSA-N 1 0 279.468 4.572 40 0 CJABRO CC1=C[n+]2ccccc2Sc2c3ccccc3ccc21 ZINC000001653686 567840423 /nfs/dbraw/zinc/84/04/23/567840423.db2.gz QJFCJFXYVYHLDL-UHFFFAOYSA-N 1 0 276.384 4.610 40 0 CJABRO c1ccc(-c2sc3cccc[n+]3c2-c2ccccc2)cc1 ZINC000001653691 567840492 /nfs/dbraw/zinc/84/04/92/567840492.db2.gz NEXDBVGOOBXKLL-UHFFFAOYSA-N 1 0 288.395 4.821 40 0 CJABRO c1sc2cccc[n+]2c1-c1ccc(-c2ccccc2)cc1 ZINC000001653692 567840362 /nfs/dbraw/zinc/84/03/62/567840362.db2.gz YXSUIJNKIXMZKM-UHFFFAOYSA-N 1 0 288.395 4.821 40 0 CJABRO Cc1ccc2[n+](c1)C=C(C)c1ccc3ccccc3c1S2 ZINC000001653694 567840368 /nfs/dbraw/zinc/84/03/68/567840368.db2.gz FYXDRNFVXYVQCE-UHFFFAOYSA-N 1 0 290.411 4.918 40 0 CJABRO C[NH+](C)C1c2cc(Cl)ccc2-c2ccc(Cl)cc21 ZINC000001662429 567840475 /nfs/dbraw/zinc/84/04/75/567840475.db2.gz AMNXHYWLCHZPRS-UHFFFAOYSA-N 1 0 278.182 4.625 40 0 CJABRO C[NH+](C)C1(Cc2ccccc2)c2ccccc2-c2ccccc21 ZINC000001664115 567840412 /nfs/dbraw/zinc/84/04/12/567840412.db2.gz PNQWLDPODMAEPP-UHFFFAOYSA-N 1 0 299.417 4.715 40 0 CJABRO C[C@@H]1CCC(=C(c2ccccc2)c2ccccc2)[C@@H](C)[N@@H+]1C ZINC000001664585 567840316 /nfs/dbraw/zinc/84/03/16/567840316.db2.gz TXNWJQLSHVQKNF-IAGOWNOFSA-N 1 0 291.438 4.991 40 0 CJABRO c1ccc(C[C@@H]([NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000001665314 567840787 /nfs/dbraw/zinc/84/07/87/567840787.db2.gz ZGJIFRNFPMHBEU-HXUWFJFHSA-N 1 0 279.427 4.893 40 0 CJABRO [NH3+][C@@H](Cc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001666177 567840619 /nfs/dbraw/zinc/84/06/19/567840619.db2.gz NINZEDQGBDOFMW-NRFANRHFSA-N 1 0 285.390 4.500 40 0 CJABRO CC1CC[NH+]([C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000001666357 567840694 /nfs/dbraw/zinc/84/06/94/567840694.db2.gz LXGMDXUEOQQDDU-FQEVSTJZSA-N 1 0 279.427 4.702 40 0 CJABRO CC1CC[NH+]([C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000001666358 567840654 /nfs/dbraw/zinc/84/06/54/567840654.db2.gz LXGMDXUEOQQDDU-HXUWFJFHSA-N 1 0 279.427 4.702 40 0 CJABRO Cc1ccc([C@@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000001668055 567840600 /nfs/dbraw/zinc/84/06/00/567840600.db2.gz LYWVWIIULJMJOZ-HXUWFJFHSA-N 1 0 279.427 4.765 40 0 CJABRO CC(C)[N@@H+]1CC[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000001672573 567840908 /nfs/dbraw/zinc/84/09/08/567840908.db2.gz ZVIBYDRSSAIKHS-GOSISDBHSA-N 1 0 293.454 4.939 40 0 CJABRO Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001677384 567841191 /nfs/dbraw/zinc/84/11/91/567841191.db2.gz DUPTUSSGYZBDQQ-IBGZPJMESA-N 1 0 265.400 4.570 40 0 CJABRO C[C@H](CC1c2ccccc2CCc2ccccc21)C[NH+](C)C ZINC000001678302 169740209 /nfs/dbraw/zinc/74/02/09/169740209.db2.gz ALELTFCQZDXAMQ-MRXNPFEDSA-N 1 0 293.454 4.505 40 0 in-man CJABRO CCCCC(CC[NH3+])(c1cccs1)c1cccs1 ZINC000001679373 567841342 /nfs/dbraw/zinc/84/13/42/567841342.db2.gz WWMGLAYQDOBSQX-UHFFFAOYSA-N 1 0 279.474 4.635 40 0 CJABRO CC[NH+](CC)CCOc1ccc(/C=C/c2ccccc2)cc1 ZINC000001680911 567841462 /nfs/dbraw/zinc/84/14/62/567841462.db2.gz BXEBFKORKYWQLG-ZHACJKMWSA-N 1 0 295.426 4.578 40 0 CJABRO Cc1cc(-c2ccccc2)cc(C)[n+]1CCc1ccccc1 ZINC000001685136 567841377 /nfs/dbraw/zinc/84/13/77/567841377.db2.gz RALPSTODWNLQBW-UHFFFAOYSA-N 1 0 288.414 4.501 40 0 CJABRO Cc1ccc(C)n1[N@H+](Cc1ccccc1)c1ccccc1 ZINC000001685203 567937437 /nfs/dbraw/zinc/93/74/37/567937437.db2.gz YJFPWGJLHYVBSM-UHFFFAOYSA-N 1 0 276.383 4.575 40 0 CJABRO CCCC[NH+](CCCC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000001686392 566996508 /nfs/dbraw/zinc/99/65/08/566996508.db2.gz COGQOBIDAHDXOB-BZSNNMDCSA-N 1 0 297.527 4.712 40 0 CJABRO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(c2ccccc2)C3)cc1 ZINC000001688539 567841654 /nfs/dbraw/zinc/84/16/54/567841654.db2.gz GUKVQGJUHKIGAP-SEJPIABJSA-N 1 0 291.438 4.987 40 0 CJABRO CC[NH+](CC)CCOc1ccccc1[C@@H](C)c1ccccc1 ZINC000001700057 567841735 /nfs/dbraw/zinc/84/17/35/567841735.db2.gz FDILMWZBXODOPE-KRWDZBQOSA-N 1 0 297.442 4.559 40 0 CJABRO Cc1cc(C)c(C[NH+](C)C)c(/C=C/c2ccccc2)c1 ZINC000001713606 567842474 /nfs/dbraw/zinc/84/24/74/567842474.db2.gz KJMRVNMWODCMKF-ZHACJKMWSA-N 1 0 265.400 4.535 40 0 CJABRO C[NH+](C)CCCCc1cn(-c2ccccc2)c2ccccc12 ZINC000001713957 567842569 /nfs/dbraw/zinc/84/25/69/567842569.db2.gz MJUQXFPJLRLHOL-UHFFFAOYSA-N 1 0 292.426 4.515 40 0 CJABRO CC[NH+](CC)CCC=C(c1cccs1)c1cccs1 ZINC000001713963 567842397 /nfs/dbraw/zinc/84/23/97/567842397.db2.gz ZQRFGIQOJKEYBU-UHFFFAOYSA-N 1 0 291.485 4.973 40 0 CJABRO Cc1c2sc3ccccc3c2c(C)c2c1C=[NH+]CC2 ZINC000001714255 567842453 /nfs/dbraw/zinc/84/24/53/567842453.db2.gz NODXAPLUEIVVTF-UHFFFAOYSA-N 1 0 265.381 4.646 40 0 CJABRO [NH3+][C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000001723745 567842400 /nfs/dbraw/zinc/84/24/00/567842400.db2.gz XTVNNYMBOYVBEJ-CYBMUJFWSA-N 1 0 284.573 4.675 40 0 CJABRO CC[n+]1c(C)sc2cc(Cl)c(-c3ccccc3)cc21 ZINC000001726628 567842780 /nfs/dbraw/zinc/84/27/80/567842780.db2.gz OBMZBHRLSHSVHS-UHFFFAOYSA-N 1 0 288.823 4.838 40 0 CJABRO Cc1cc(C(C)(C)C)c(OCC[NH+](C)C)c(C(C)(C)C)c1 ZINC000001734056 567842819 /nfs/dbraw/zinc/84/28/19/567842819.db2.gz BWTPMTPJPTUGNA-UHFFFAOYSA-N 1 0 291.479 4.530 40 0 CJABRO CC(C)c1cc(Cl)cc(C(C)C)c1OCC[NH+](C)C ZINC000001734059 567842806 /nfs/dbraw/zinc/84/28/06/567842806.db2.gz JNWDXZSBUIBAAY-UHFFFAOYSA-N 1 0 283.843 4.527 40 0 CJABRO CC(C)c1cc(Cl)cc(C(C)C)c1OCCC[NH+](C)C ZINC000001734061 567842706 /nfs/dbraw/zinc/84/27/06/567842706.db2.gz FCZMAXIXKHNUSI-UHFFFAOYSA-N 1 0 297.870 4.917 40 0 CJABRO CC(C)=CCC/C(C)=C/C[NH2+]CCc1c[nH]c2ccccc12 ZINC000001734713 567842967 /nfs/dbraw/zinc/84/29/67/567842967.db2.gz YENZYGJEKHJGEY-GZTJUZNOSA-N 1 0 296.458 4.993 40 0 CJABRO CC[n+]1c2ccccc2sc1CC(C)=Nc1ccccc1 ZINC000001802137 567843562 /nfs/dbraw/zinc/84/35/62/567843562.db2.gz MUSYZYNYQAOQOM-UHFFFAOYSA-O 1 0 295.431 4.682 40 0 CJABRO CCCC[NH+](CCCC)CCc1c[nH]c2ccccc12 ZINC000002018454 169768168 /nfs/dbraw/zinc/76/81/68/169768168.db2.gz LZLJUZWFWYEQLY-UHFFFAOYSA-N 1 0 272.436 4.613 40 0 CJABRO CCC[NH+](CCC)CCC[C@@H](O)c1cccc2ccccc21 ZINC000002042620 521646514 /nfs/dbraw/zinc/64/65/14/521646514.db2.gz DAURCWSUUVQABR-HXUWFJFHSA-N 1 0 299.458 4.775 40 0 CJABRO CC[NH+](CC)CCOc1ccccc1[C@H](C)c1ccccc1 ZINC000002042915 567844262 /nfs/dbraw/zinc/84/42/62/567844262.db2.gz FDILMWZBXODOPE-QGZVFWFLSA-N 1 0 297.442 4.559 40 0 CJABRO [NH3+][C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000002387156 567932569 /nfs/dbraw/zinc/93/25/69/567932569.db2.gz SRPXSILJHWNFMK-BDJLRTHQSA-N 1 0 292.209 4.919 40 0 world CJABRO [NH3+][C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000002510873 169797558 /nfs/dbraw/zinc/79/75/58/169797558.db2.gz SRPXSILJHWNFMK-MEDUHNTESA-N 1 0 292.209 4.919 40 0 world CJABRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002575968 567848391 /nfs/dbraw/zinc/84/83/91/567848391.db2.gz OQTBAOKCXSPYKE-NSHDSACASA-N 1 0 280.198 4.844 40 0 CJABRO O=C1CCCCCCCCCC[C@H]1C[NH+]1CCCCC1 ZINC000003593578 567853076 /nfs/dbraw/zinc/85/30/76/567853076.db2.gz SHJUNEXYPDUTAL-KRWDZBQOSA-N 1 0 279.468 4.572 40 0 CJABRO c1ccc(C([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c2ccccc2)cc1 ZINC000004072775 534481537 /nfs/dbraw/zinc/48/15/37/534481537.db2.gz UDAMPHDUMLOMJL-KFKAGJAMSA-N 1 0 277.411 4.554 40 0 CJABRO c1ccc(C([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)c2ccccc2)cc1 ZINC000004072776 534481796 /nfs/dbraw/zinc/48/17/96/534481796.db2.gz UDAMPHDUMLOMJL-IPELMVKDSA-N 1 0 277.411 4.554 40 0 CJABRO CC[NH+](CC)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000004179285 567856011 /nfs/dbraw/zinc/85/60/11/567856011.db2.gz MZCXMABGTZIJMZ-UHFFFAOYSA-N 1 0 292.426 4.531 40 0 CJABRO C[C@H]1CCCC[C@@]1(c1cccs1)[NH+]1CCCCC1 ZINC000004213419 570325150 /nfs/dbraw/zinc/32/51/50/570325150.db2.gz DKFAAPPUYWQKKF-GOEBONIOSA-N 1 0 263.450 4.639 40 0 investigational CJABRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000004240689 567856399 /nfs/dbraw/zinc/85/63/99/567856399.db2.gz OQTBAOKCXSPYKE-LLVKDONJSA-N 1 0 280.198 4.844 40 0 CJABRO CCCC[NH+](CCCC)CCCCCCCCCO ZINC000004409972 567857402 /nfs/dbraw/zinc/85/74/02/567857402.db2.gz HPDGACSTJAWALA-UHFFFAOYSA-N 1 0 271.489 4.612 40 0 CJABRO CC[N@@H+]1CC[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000004537349 567858127 /nfs/dbraw/zinc/85/81/27/567858127.db2.gz WWDKBDJJPJAEBJ-KRWDZBQOSA-N 1 0 279.427 4.550 40 0 CJABRO CC[NH+](CC)CCOc1ccc(/C=C\c2ccccc2)cc1 ZINC000004706227 170002413 /nfs/dbraw/zinc/00/24/13/170002413.db2.gz BXEBFKORKYWQLG-KHPPLWFESA-N 1 0 295.426 4.578 40 0 CJABRO [NH2+]=C(c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000004715012 170004190 /nfs/dbraw/zinc/00/41/90/170004190.db2.gz BLVAGJHFIBKMAK-LJQANCHMSA-N 1 0 299.373 4.721 40 0 CJABRO CCCC[NH+](CCCC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000004726201 170006761 /nfs/dbraw/zinc/00/67/61/170006761.db2.gz COGQOBIDAHDXOB-KSZLIROESA-N 1 0 297.527 4.712 40 0 CJABRO CCCC[NH+](CCCC)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000004726202 170006505 /nfs/dbraw/zinc/00/65/05/170006505.db2.gz COGQOBIDAHDXOB-KURKYZTESA-N 1 0 297.527 4.712 40 0 CJABRO CCCC[NH+](CCCC)C[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000004726203 170006588 /nfs/dbraw/zinc/00/65/88/170006588.db2.gz COGQOBIDAHDXOB-SQNIBIBYSA-N 1 0 297.527 4.712 40 0 CJABRO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000004761216 170013576 /nfs/dbraw/zinc/01/35/76/170013576.db2.gz MQDQZJUGDQLEDM-RDJZCZTQSA-N 1 0 277.839 4.741 40 0 CJABRO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000004761220 170013379 /nfs/dbraw/zinc/01/33/79/170013379.db2.gz MQDQZJUGDQLEDM-NVXWUHKLSA-N 1 0 277.839 4.741 40 0 CJABRO C[C@@H]1CCC[N@@H+]([C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000004777656 170015353 /nfs/dbraw/zinc/01/53/53/170015353.db2.gz AHMBSJNHUWBBTM-XLIONFOSSA-N 1 0 279.427 4.702 40 0 CJABRO C[C@H]1CCC[N@@H+]([C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000004777657 170015883 /nfs/dbraw/zinc/01/58/83/170015883.db2.gz AHMBSJNHUWBBTM-PXNSSMCTSA-N 1 0 279.427 4.702 40 0 CJABRO C[C@@H]1CCCC[N@@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777658 170015853 /nfs/dbraw/zinc/01/58/53/170015853.db2.gz PZRMMAFHGPTHPJ-XLIONFOSSA-N 1 0 279.427 4.845 40 0 CJABRO C[C@H]1CCCC[N@@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777659 170015921 /nfs/dbraw/zinc/01/59/21/170015921.db2.gz PZRMMAFHGPTHPJ-PXNSSMCTSA-N 1 0 279.427 4.845 40 0 CJABRO CC(C)[N@@H+]1CC[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000004792341 170017509 /nfs/dbraw/zinc/01/75/09/170017509.db2.gz ZVIBYDRSSAIKHS-SFHVURJKSA-N 1 0 293.454 4.939 40 0 CJABRO Cc1cc(C)c(C[NH+](C)C)c(/C=C\c2ccccc2)c1 ZINC000004887734 170036594 /nfs/dbraw/zinc/03/65/94/170036594.db2.gz KJMRVNMWODCMKF-KHPPLWFESA-N 1 0 265.400 4.535 40 0 CJABRO C[N@@H+]1CC[C@@H](C=C2c3ccccc3Sc3ccccc32)C1 ZINC000004896463 170037293 /nfs/dbraw/zinc/03/72/93/170037293.db2.gz OHLZMPBUCRQNTN-AWEZNQCLSA-N 1 0 293.435 4.535 40 0 CJABRO Cc1ccc(C)c(Nc2cc(C)[nH+]c3ccccc23)c1 ZINC000004959730 261063724 /nfs/dbraw/zinc/06/37/24/261063724.db2.gz LJYLPQOBMDZHNZ-UHFFFAOYSA-N 1 0 262.356 4.904 40 0 CJABRO Cc1cc(C)c2cc(C[NH2+]C3CCCC3)c(Cl)nc2c1 ZINC000004967373 170046559 /nfs/dbraw/zinc/04/65/59/170046559.db2.gz ZSMLIVXJWXSKSA-UHFFFAOYSA-N 1 0 288.822 4.537 40 0 CJABRO Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004986662 170049592 /nfs/dbraw/zinc/04/95/92/170049592.db2.gz MJVZZKKXVUVDLQ-RTWAWAEBSA-N 1 0 289.422 4.815 40 0 CJABRO Cc1ccc(C2=C[C@@H]3CC[C@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004986665 170049337 /nfs/dbraw/zinc/04/93/37/170049337.db2.gz MJVZZKKXVUVDLQ-LEWJYISDSA-N 1 0 289.422 4.815 40 0 CJABRO C[n+]1ccc(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000005002273 170053312 /nfs/dbraw/zinc/05/33/12/170053312.db2.gz YZPKTDFAVNZFEO-FARCUNLSSA-N 1 0 296.777 4.595 40 0 CJABRO C[n+]1ccccc1/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000005002323 170053213 /nfs/dbraw/zinc/05/32/13/170053213.db2.gz NVADSRLUKUWKOF-MDZDMXLPSA-N 1 0 296.777 4.595 40 0 CJABRO C[N@H+]1CC=C(/C=C/c2ccc(-c3ccccc3)cc2)CC1 ZINC000005002426 170053392 /nfs/dbraw/zinc/05/33/92/170053392.db2.gz RSOOKSOFVZDIGS-BQYQJAHWSA-N 1 0 275.395 4.629 40 0 CJABRO N#[N+]c1cc2c(cc1Br)-c1ccccc1C2 ZINC000005004064 170053832 /nfs/dbraw/zinc/05/38/32/170053832.db2.gz DUWIJNFYFQENAY-UHFFFAOYSA-N 1 0 272.125 4.505 40 0 CJABRO [NH3+][C@@H](Cc1ccccc1)c1ccc2oc3ccccc3c2c1 ZINC000005046103 170060502 /nfs/dbraw/zinc/06/05/02/170060502.db2.gz OYDZFEHGCJCNAM-SFHVURJKSA-N 1 0 287.362 4.829 40 0 CJABRO C[C@@H]1CCC(=C(c2ccccc2)c2ccccc2)[C@H](C)[N@@H+]1C ZINC000005046311 170060491 /nfs/dbraw/zinc/06/04/91/170060491.db2.gz TXNWJQLSHVQKNF-SJORKVTESA-N 1 0 291.438 4.991 40 0 CJABRO C[C@H]1CCC(=C(c2ccccc2)c2ccccc2)[C@H](C)[N@@H+]1C ZINC000005046313 170060365 /nfs/dbraw/zinc/06/03/65/170060365.db2.gz TXNWJQLSHVQKNF-IRXDYDNUSA-N 1 0 291.438 4.991 40 0 CJABRO C[C@@H]1C(=C(c2ccccc2)c2ccccc2)CC[C@H](C)[N@H+]1C ZINC000005046314 170060495 /nfs/dbraw/zinc/06/04/95/170060495.db2.gz TXNWJQLSHVQKNF-DLBZAZTESA-N 1 0 291.438 4.991 40 0 CJABRO Cc1ccc([C@H]2C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000005121004 260017053 /nfs/dbraw/zinc/01/70/53/260017053.db2.gz OUKQESPWKMGTJT-HJNYFJLDSA-N 1 0 298.409 4.505 40 0 CJABRO COc1ccc2cc(-c3ccccc3)[s+]cc2c1 ZINC000005181078 170074214 /nfs/dbraw/zinc/07/42/14/170074214.db2.gz OOBGAGBLXATGFR-UHFFFAOYSA-N 1 0 253.346 4.858 40 0 CJABRO C=C[n+]1c(C(C)C)cc(-c2ccccc2)cc1C(C)C ZINC000005285164 170082623 /nfs/dbraw/zinc/08/26/23/170082623.db2.gz KRLDBURHOWOZLF-UHFFFAOYSA-N 1 0 266.408 4.988 40 0 CJABRO CCCCN(CCc1ccccc1)c1ccccc1 ZINC000005309124 567946533 /nfs/dbraw/zinc/94/65/33/567946533.db2.gz SSUNBVPEGZLKSE-UHFFFAOYSA-N 1 0 253.389 4.536 40 0 CJABRO C[C@@H]1CC[C@H](C2=CS[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H](C)C1 ZINC000005328174 170085977 /nfs/dbraw/zinc/08/59/77/170085977.db2.gz NSKBDNFWTVESAJ-USRAEIGSSA-N 1 0 265.466 4.548 40 0 CJABRO C[C@@H]1C[C@@H](C)CC[C@@H]1C1=CS[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000005328175 170086061 /nfs/dbraw/zinc/08/60/61/170086061.db2.gz NSKBDNFWTVESAJ-HCZIRCDUSA-N 1 0 265.466 4.548 40 0 CJABRO C[C@@H]1CC[C@@H](C2=CS[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H](C)C1 ZINC000005328176 170085805 /nfs/dbraw/zinc/08/58/05/170085805.db2.gz NSKBDNFWTVESAJ-AQDIXCGQSA-N 1 0 265.466 4.548 40 0 CJABRO C[C@@H]1C[C@@H](C)CC[C@H]1C1=CS[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000005328178 170085909 /nfs/dbraw/zinc/08/59/09/170085909.db2.gz NSKBDNFWTVESAJ-SQCNAZHOSA-N 1 0 265.466 4.548 40 0 CJABRO CC(C)[NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1c1ccccc1 ZINC000005432318 170099015 /nfs/dbraw/zinc/09/90/15/170099015.db2.gz JYHJKXHYDLGXFP-FCGDIQPGSA-N 1 0 271.448 4.737 40 0 CJABRO CC(C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1c1ccccc1 ZINC000005432319 170098973 /nfs/dbraw/zinc/09/89/73/170098973.db2.gz JYHJKXHYDLGXFP-HCXYKTFWSA-N 1 0 271.448 4.737 40 0 CJABRO CC(C)[NH2+][C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1c1ccccc1 ZINC000005432320 170099052 /nfs/dbraw/zinc/09/90/52/170099052.db2.gz JYHJKXHYDLGXFP-NCXUSEDFSA-N 1 0 271.448 4.737 40 0 CJABRO CC(C)[NH2+][C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1c1ccccc1 ZINC000005432322 170099167 /nfs/dbraw/zinc/09/91/67/170099167.db2.gz JYHJKXHYDLGXFP-MKXGPGLRSA-N 1 0 271.448 4.737 40 0 CJABRO [NH2+]=C(N/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005463536 170101704 /nfs/dbraw/zinc/10/17/04/170101704.db2.gz RMZSOCFGZHZLCI-CAPFRKAQSA-N 1 0 298.389 4.800 40 0 CJABRO CC(C)CCCCCCCCCCOCCC[NH3+] ZINC000005758134 170137506 /nfs/dbraw/zinc/13/75/06/170137506.db2.gz CUFBDUDYFHCIOH-UHFFFAOYSA-N 1 0 257.462 4.519 40 0 CJABRO C[N+]1=C(/C=C/C=C/c2ccccc2)C(C)(C)c2ccccc21 ZINC000005964000 170163649 /nfs/dbraw/zinc/16/36/49/170163649.db2.gz UCYCUKPXSXWMAD-MBZASZPWSA-N 1 0 288.414 4.962 40 0 CJABRO CC[NH+](CC)CCSCc1ccc(Cl)c(Cl)c1 ZINC000006205223 170182656 /nfs/dbraw/zinc/18/26/56/170182656.db2.gz ZBAWQUHRKCPPBW-UHFFFAOYSA-N 1 0 292.275 4.568 40 0 CJABRO CCCCC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000006427741 170200266 /nfs/dbraw/zinc/20/02/66/170200266.db2.gz ZJEODRLUNUEGHZ-UHFFFAOYSA-N 1 0 289.444 4.607 40 0 CJABRO C[n+]1c(/C=C/c2ccc(Cl)cc2)sc2ccccc21 ZINC000006519994 170208935 /nfs/dbraw/zinc/20/89/35/170208935.db2.gz VIYLEZGXRAISOR-DHZHZOJOSA-N 1 0 286.807 4.550 40 0 CJABRO Cc1ccc([C@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000006522722 170209464 /nfs/dbraw/zinc/20/94/64/170209464.db2.gz LYWVWIIULJMJOZ-FQEVSTJZSA-N 1 0 279.427 4.765 40 0 CJABRO Cc1ccccc1[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000006523300 170209747 /nfs/dbraw/zinc/20/97/47/170209747.db2.gz DUPTUSSGYZBDQQ-LJQANCHMSA-N 1 0 265.400 4.570 40 0 CJABRO CCc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006543125 170212329 /nfs/dbraw/zinc/21/23/29/170212329.db2.gz CKBJBSDKTLGEIQ-GSEWJITGSA-N 1 0 297.486 4.944 40 0 CJABRO c1ccc(C[C@H]([NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000006580601 170215279 /nfs/dbraw/zinc/21/52/79/170215279.db2.gz ZGJIFRNFPMHBEU-FQEVSTJZSA-N 1 0 279.427 4.893 40 0 CJABRO [NH3+][C@H](Cc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000006580771 170215309 /nfs/dbraw/zinc/21/53/09/170215309.db2.gz NINZEDQGBDOFMW-OAQYLSRUSA-N 1 0 285.390 4.500 40 0 CJABRO [NH3+][C@H](Cc1ccccc1)c1ccc2oc3ccccc3c2c1 ZINC000006580777 170215357 /nfs/dbraw/zinc/21/53/57/170215357.db2.gz OYDZFEHGCJCNAM-GOSISDBHSA-N 1 0 287.362 4.829 40 0 CJABRO Cc1scc(C[N@H+](Cc2ccccc2)C(C)C)c1C ZINC000006895125 170253978 /nfs/dbraw/zinc/25/39/78/170253978.db2.gz HHJAEMMOOFNMFJ-UHFFFAOYSA-N 1 0 273.445 4.776 40 0 CJABRO CCc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008337994 170331784 /nfs/dbraw/zinc/33/17/84/170331784.db2.gz CKBJBSDKTLGEIQ-HKOIMECGSA-N 1 0 297.486 4.944 40 0 CJABRO C[C@H]([NH2+]C/C=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497263 170338026 /nfs/dbraw/zinc/33/80/26/170338026.db2.gz NLENXLJKYMOSAV-JBOBOZARSA-N 1 0 295.470 4.894 40 0 CJABRO C[C@H]([NH2+]Cc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000008497393 170338019 /nfs/dbraw/zinc/33/80/19/170338019.db2.gz APRDHBIYIDXXJB-IWUURBKTSA-N 1 0 287.422 4.520 40 0 CJABRO C[C@@H]([NH2+]C/C=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534844 170338958 /nfs/dbraw/zinc/33/89/58/170338958.db2.gz NLENXLJKYMOSAV-UDMVSMCZSA-N 1 0 295.470 4.894 40 0 CJABRO C[C@@H]([NH2+]Cc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000008534887 170339068 /nfs/dbraw/zinc/33/90/68/170339068.db2.gz APRDHBIYIDXXJB-PGBRGIIUSA-N 1 0 287.422 4.520 40 0 CJABRO Cc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008550093 170339621 /nfs/dbraw/zinc/33/96/21/170339621.db2.gz OFJUKDLRUVSNQJ-KEDVPNTESA-N 1 0 283.459 4.690 40 0 CJABRO Cc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008550094 170339671 /nfs/dbraw/zinc/33/96/71/170339671.db2.gz OFJUKDLRUVSNQJ-AYAHVVACSA-N 1 0 283.459 4.690 40 0 CJABRO Cc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000008551027 170340043 /nfs/dbraw/zinc/34/00/43/170340043.db2.gz YATZPLFWUIZLAP-IILDEKEXSA-N 1 0 289.488 4.751 40 0 CJABRO Cc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000008551028 170339878 /nfs/dbraw/zinc/33/98/78/170339878.db2.gz YATZPLFWUIZLAP-ZZFFKQLHSA-N 1 0 289.488 4.751 40 0 CJABRO Cc1ccc2cc(C[NH2+]C3CCCCC3)c(Cl)nc2c1 ZINC000013534782 570236480 /nfs/dbraw/zinc/23/64/80/570236480.db2.gz IXVMUUIOEOMOTB-UHFFFAOYSA-N 1 0 288.822 4.619 40 0 CJABRO Cc1cc2cc(C[NH2+]C3CCCC3)c(Cl)nc2cc1C ZINC000013534817 567941647 /nfs/dbraw/zinc/94/16/47/567941647.db2.gz NEBUHFSLINRBHL-UHFFFAOYSA-N 1 0 288.822 4.537 40 0 CJABRO C[NH2+]CC[C@@H](Oc1cccc2ccccc21)c1ccsc1 ZINC000013588084 567892749 /nfs/dbraw/zinc/89/27/49/567892749.db2.gz GMHDOCXPDYDKOR-QGZVFWFLSA-N 1 0 297.423 4.631 40 0 CJABRO C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1ccsc1 ZINC000013588085 170566421 /nfs/dbraw/zinc/56/64/21/170566421.db2.gz GMHDOCXPDYDKOR-KRWDZBQOSA-N 1 0 297.423 4.631 40 0 CJABRO CCC1=Nc2ccccc2[N-]C(=[NH2+])C1c1ccc(Cl)cc1 ZINC000013637114 567866764 /nfs/dbraw/zinc/86/67/64/567866764.db2.gz KPQBWSFNINIADO-UHFFFAOYSA-N 1 0 297.789 4.576 40 0 CJABRO CSc1ccc([C@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000013813276 567868013 /nfs/dbraw/zinc/86/80/13/567868013.db2.gz YVKDUIAAPBKHMJ-MOPGFXCFSA-N 1 0 295.451 4.691 40 0 aggregator,in-vitro CJABRO Cc1ccc(-c2cc[n+](-c3ccc(Cl)cc3)s2)s1 ZINC000016348115 567872582 /nfs/dbraw/zinc/87/25/82/567872582.db2.gz ABCDWRUJBKMJTN-UHFFFAOYSA-N 1 0 292.836 4.715 40 0 CJABRO Cc1ccccc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016362672 567944428 /nfs/dbraw/zinc/94/44/28/567944428.db2.gz BVPIBDJWPQVWCW-HWWITLHISA-N 1 0 283.459 4.690 40 0 CJABRO Cc1ccccc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016362673 567944359 /nfs/dbraw/zinc/94/43/59/567944359.db2.gz BVPIBDJWPQVWCW-CCLIWJKGSA-N 1 0 283.459 4.690 40 0 CJABRO Cc1ccsc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016363157 567944529 /nfs/dbraw/zinc/94/45/29/567944529.db2.gz YLOXCRXMBQBKGT-ZZFFKQLHSA-N 1 0 289.488 4.751 40 0 CJABRO Cc1ccsc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016363159 567944396 /nfs/dbraw/zinc/94/43/96/567944396.db2.gz YLOXCRXMBQBKGT-IILDEKEXSA-N 1 0 289.488 4.751 40 0 CJABRO CC1=[NH+]c2ccccc2NC(c2ccc(Cl)cc2)=C1 ZINC000016608000 567873377 /nfs/dbraw/zinc/87/33/77/567873377.db2.gz OQFHCTBHSWDEHI-UHFFFAOYSA-N 1 0 268.747 4.899 40 0 CJABRO CC(C)=CCC/C(C)=C\C[NH2+]CCc1c[nH]c2ccccc12 ZINC000016972326 570225420 /nfs/dbraw/zinc/22/54/20/570225420.db2.gz YENZYGJEKHJGEY-BOPFTXTBSA-N 1 0 296.458 4.993 40 0 CJABRO CCCCN(CCCC)C(=[NH2+])OCC(C)(C)CC(C)C ZINC000016990149 570225973 /nfs/dbraw/zinc/22/59/73/570225973.db2.gz NVLMMCPTWFAVKR-UHFFFAOYSA-N 1 0 284.488 4.912 40 0 CJABRO C[n+]1c(/C=C\c2ccccc2Cl)sc2ccccc21 ZINC000017145600 567875066 /nfs/dbraw/zinc/87/50/66/567875066.db2.gz LGXUCPIPLWTLIG-KHPPLWFESA-N 1 0 286.807 4.550 40 0 CJABRO C[N+]1=C(/C=C/C=C\c2ccccc2)C(C)(C)c2ccccc21 ZINC000017145630 567875004 /nfs/dbraw/zinc/87/50/04/567875004.db2.gz UCYCUKPXSXWMAD-WAFQAHIHSA-N 1 0 288.414 4.962 40 0 CJABRO CCCCN(CCCC)C(=[NH2+])/C=C\c1ccccc1 ZINC000017149509 567874916 /nfs/dbraw/zinc/87/49/16/567874916.db2.gz TVQXOGUVWGNRIL-HFOGIIMGSA-N 1 0 258.409 4.579 40 0 CJABRO [NH2+]=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000017316200 567935007 /nfs/dbraw/zinc/93/50/07/567935007.db2.gz RYCFRVNAZOREPC-UHFFFAOYSA-N 1 0 287.366 4.872 40 0 CJABRO CCCCN(C[N@H+](CCCC)[C@H]1C=CCC1)[C@H]1C=CCC1 ZINC000019319730 567877448 /nfs/dbraw/zinc/87/74/48/567877448.db2.gz NOFLOHBDWXQTRB-OALUTQOASA-N 1 0 290.495 4.585 40 0 CJABRO CC1(C)Cc2ccccc2C[N@@H+]1Cc1ccccc1Cl ZINC000019594080 567878024 /nfs/dbraw/zinc/87/80/24/567878024.db2.gz YGBJJNGCBIYJHW-UHFFFAOYSA-N 1 0 285.818 4.677 40 0 CJABRO C[C@@H]([NH2+]Cc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000019996185 567125576 /nfs/dbraw/zinc/12/55/76/567125576.db2.gz VUYPQTWYLBLXBN-SALMBKGGSA-N 1 0 287.422 4.520 40 0 CJABRO C[C@H]([NH2+]Cc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000019996188 170964301 /nfs/dbraw/zinc/96/43/01/170964301.db2.gz VUYPQTWYLBLXBN-GOBPUOAWSA-N 1 0 287.422 4.520 40 0 CJABRO CCC(C)(C)c1ccc(OCCC[NH3+])c(C(C)(C)CC)c1 ZINC000020000644 567880441 /nfs/dbraw/zinc/88/04/41/567880441.db2.gz LEUVNJSYVKZXKE-UHFFFAOYSA-N 1 0 291.479 4.789 40 0 CJABRO c1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000020136165 171023589 /nfs/dbraw/zinc/02/35/89/171023589.db2.gz TXHHGLULBHVWMO-UHFFFAOYSA-N 1 0 274.367 4.857 40 0 CJABRO CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020158527 171039952 /nfs/dbraw/zinc/03/99/52/171039952.db2.gz UNGLFLDYENNVCE-UHFFFAOYSA-N 1 0 284.186 4.753 40 0 CJABRO CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020158557 171040184 /nfs/dbraw/zinc/04/01/84/171040184.db2.gz RFAYBKLPCCMGRS-UHFFFAOYSA-N 1 0 284.186 4.753 40 0 CJABRO Cc1ccc(Cl)cc1-c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000020158647 171040108 /nfs/dbraw/zinc/04/01/08/171040108.db2.gz KBMCHBIBVPKBQX-UHFFFAOYSA-N 1 0 277.795 4.797 40 0 CJABRO C[C@@H]([NH2+]C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021062438 171297531 /nfs/dbraw/zinc/29/75/31/171297531.db2.gz WBANHPOSJCKSNP-ZZFFKQLHSA-N 1 0 261.453 4.514 40 0 CJABRO C[C@H]([NH2+]C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021062442 171297545 /nfs/dbraw/zinc/29/75/45/171297545.db2.gz WBANHPOSJCKSNP-IILDEKEXSA-N 1 0 261.453 4.514 40 0 CJABRO CCC1=[NH+][C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000030731351 570409196 /nfs/dbraw/zinc/40/91/96/570409196.db2.gz UPZKJIHNKKJIKX-HNNXBMFYSA-N 1 0 263.384 4.616 40 0 world CJABRO CCC1=[NH+][C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000030731355 570409202 /nfs/dbraw/zinc/40/92/02/570409202.db2.gz UPZKJIHNKKJIKX-OAHLLOKOSA-N 1 0 263.384 4.616 40 0 world CJABRO C[n+]1c(/C=C\c2ccc(Cl)cc2)sc2ccccc21 ZINC000031911971 171658881 /nfs/dbraw/zinc/65/88/81/171658881.db2.gz VIYLEZGXRAISOR-FLIBITNWSA-N 1 0 286.807 4.550 40 0 CJABRO C[N+]1=C(/C=C\C=C/c2ccccc2)C(C)(C)c2ccccc21 ZINC000031911992 567885669 /nfs/dbraw/zinc/88/56/69/567885669.db2.gz UCYCUKPXSXWMAD-LWVBRBIWSA-N 1 0 288.414 4.962 40 0 CJABRO CC(C)C1=CC2=CC[C@@H]3[C@](C)([NH3+])CCC[C@]3(C)[C@@H]2CC1 ZINC000034770644 567851562 /nfs/dbraw/zinc/85/15/62/567851562.db2.gz WGUAVOHEVMETEV-FCGDIQPGSA-N 1 0 273.464 4.833 40 0 CJABRO CC(C)C1=CC2=CC[C@H]3[C@](C)([NH3+])CCC[C@@]3(C)[C@@H]2CC1 ZINC000034770645 567851737 /nfs/dbraw/zinc/85/17/37/567851737.db2.gz WGUAVOHEVMETEV-AKHDSKFASA-N 1 0 273.464 4.833 40 0 CJABRO CC(C)C1=CC2=CC[C@@H]3[C@](C)([NH3+])CCC[C@@]3(C)[C@@H]2CC1 ZINC000034770646 567851637 /nfs/dbraw/zinc/85/16/37/567851637.db2.gz WGUAVOHEVMETEV-YDZRNGNQSA-N 1 0 273.464 4.833 40 0 CJABRO CCC[NH2+][C@@H](CC)c1ccc(OCc2ccccc2)cc1 ZINC000034822841 567832897 /nfs/dbraw/zinc/83/28/97/567832897.db2.gz WQSLXTDYQPNTTC-IBGZPJMESA-N 1 0 283.415 4.716 40 0 CJABRO CCC[NH2+][C@H](CC)c1ccc(OCc2ccccc2)cc1 ZINC000034822842 567832874 /nfs/dbraw/zinc/83/28/74/567832874.db2.gz WQSLXTDYQPNTTC-LJQANCHMSA-N 1 0 283.415 4.716 40 0 CJABRO Cl/C(=C\C=[N+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000035586084 172285046 /nfs/dbraw/zinc/28/50/46/172285046.db2.gz IGEKVORWIVPJSK-DHDCSXOGSA-N 1 0 283.222 4.577 40 0 CJABRO CCC[C@H]([NH3+])c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000044138959 175146261 /nfs/dbraw/zinc/14/62/61/175146261.db2.gz HBBZXLQBDPOEEL-JTQLQIEISA-N 1 0 285.231 4.524 40 0 CJABRO CCC[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000044138961 175146352 /nfs/dbraw/zinc/14/63/52/175146352.db2.gz HBBZXLQBDPOEEL-SNVBAGLBSA-N 1 0 285.231 4.524 40 0 CJABRO [NH3+][C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000072162127 176330012 /nfs/dbraw/zinc/33/00/12/176330012.db2.gz XTVNNYMBOYVBEJ-ZDUSSCGKSA-N 1 0 284.573 4.675 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212142 567918142 /nfs/dbraw/zinc/91/81/42/567918142.db2.gz GFVWBBDDXUIFKN-GOSISDBHSA-N 1 0 296.414 4.667 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212143 567918233 /nfs/dbraw/zinc/91/82/33/567918233.db2.gz GFVWBBDDXUIFKN-SFHVURJKSA-N 1 0 296.414 4.667 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212144 567918066 /nfs/dbraw/zinc/91/80/66/567918066.db2.gz RHQBXCGLVZYUNU-GOSISDBHSA-N 1 0 296.414 4.811 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212145 567918544 /nfs/dbraw/zinc/91/85/44/567918544.db2.gz RHQBXCGLVZYUNU-SFHVURJKSA-N 1 0 296.414 4.811 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212157 567918229 /nfs/dbraw/zinc/91/82/29/567918229.db2.gz UFZJGQYPFBPZCR-GOSISDBHSA-N 1 0 296.414 4.811 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212158 567918637 /nfs/dbraw/zinc/91/86/37/567918637.db2.gz UFZJGQYPFBPZCR-SFHVURJKSA-N 1 0 296.414 4.811 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212159 567918434 /nfs/dbraw/zinc/91/84/34/567918434.db2.gz LHZCJSFFHMFFPL-GOSISDBHSA-N 1 0 296.414 4.809 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212160 567918139 /nfs/dbraw/zinc/91/81/39/567918139.db2.gz LHZCJSFFHMFFPL-SFHVURJKSA-N 1 0 296.414 4.809 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212202 567918645 /nfs/dbraw/zinc/91/86/45/567918645.db2.gz GMHLNBJSJRFYKJ-GOSISDBHSA-N 1 0 296.414 4.667 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212203 567918590 /nfs/dbraw/zinc/91/85/90/567918590.db2.gz GMHLNBJSJRFYKJ-SFHVURJKSA-N 1 0 296.414 4.667 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212204 567918079 /nfs/dbraw/zinc/91/80/79/567918079.db2.gz IMBSPSALPZPSSJ-GOSISDBHSA-N 1 0 296.414 4.811 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212205 567918599 /nfs/dbraw/zinc/91/85/99/567918599.db2.gz IMBSPSALPZPSSJ-SFHVURJKSA-N 1 0 296.414 4.811 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212217 567918461 /nfs/dbraw/zinc/91/84/61/567918461.db2.gz JDIVFVBSQDAEMR-GOSISDBHSA-N 1 0 296.414 4.811 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212218 567918305 /nfs/dbraw/zinc/91/83/05/567918305.db2.gz JDIVFVBSQDAEMR-SFHVURJKSA-N 1 0 296.414 4.811 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212219 567918318 /nfs/dbraw/zinc/91/83/18/567918318.db2.gz CWQLVVVUIIBJAZ-GOSISDBHSA-N 1 0 296.414 4.809 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212220 567918006 /nfs/dbraw/zinc/91/80/06/567918006.db2.gz CWQLVVVUIIBJAZ-SFHVURJKSA-N 1 0 296.414 4.809 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N[C@@H](C)CC ZINC000072213435 567919261 /nfs/dbraw/zinc/91/92/61/567919261.db2.gz VDYYGFWFOWPMKA-DOTOQJQBSA-N 1 0 289.467 4.619 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N[C@@H](C)CC ZINC000072213436 567919339 /nfs/dbraw/zinc/91/93/39/567919339.db2.gz VDYYGFWFOWPMKA-RDJZCZTQSA-N 1 0 289.467 4.619 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213547 256712882 /nfs/dbraw/zinc/71/28/82/256712882.db2.gz AKJSKMNOFXRREZ-DOTOQJQBSA-N 1 0 289.467 4.619 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213548 567919019 /nfs/dbraw/zinc/91/90/19/567919019.db2.gz AKJSKMNOFXRREZ-RDJZCZTQSA-N 1 0 289.467 4.619 40 0 CJABRO CCCCNc1ncccc1[C@@H]1CCCC[N@@H+]1CCCC ZINC000072213622 567919353 /nfs/dbraw/zinc/91/93/53/567919353.db2.gz HJEBRIRPUSONGU-KRWDZBQOSA-N 1 0 289.467 4.621 40 0 CJABRO CCCCNc1ncccc1[C@H]1CCCC[N@@H+]1CCCC ZINC000072213623 567918904 /nfs/dbraw/zinc/91/89/04/567918904.db2.gz HJEBRIRPUSONGU-QGZVFWFLSA-N 1 0 289.467 4.621 40 0 CJABRO CCCCNc1ccc([C@@H]2CCCC[N@@H+]2CCCC)cn1 ZINC000072213682 567919157 /nfs/dbraw/zinc/91/91/57/567919157.db2.gz TZGDOTTUTQFUCQ-KRWDZBQOSA-N 1 0 289.467 4.621 40 0 CJABRO CCCCNc1ccc([C@H]2CCCC[N@@H+]2CCCC)cn1 ZINC000072213683 567919121 /nfs/dbraw/zinc/91/91/21/567919121.db2.gz TZGDOTTUTQFUCQ-QGZVFWFLSA-N 1 0 289.467 4.621 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214081 567919444 /nfs/dbraw/zinc/91/94/44/567919444.db2.gz XCWRIAFRGWQKQG-GOSISDBHSA-N 1 0 295.430 4.618 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214082 567919996 /nfs/dbraw/zinc/91/99/96/567919996.db2.gz XCWRIAFRGWQKQG-SFHVURJKSA-N 1 0 295.430 4.618 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214083 567919456 /nfs/dbraw/zinc/91/94/56/567919456.db2.gz ZZRYYMONXSKSAG-GOSISDBHSA-N 1 0 295.430 4.762 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214084 567919733 /nfs/dbraw/zinc/91/97/33/567919733.db2.gz ZZRYYMONXSKSAG-SFHVURJKSA-N 1 0 295.430 4.762 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214096 567919664 /nfs/dbraw/zinc/91/96/64/567919664.db2.gz OUDBBUOGUXLHIQ-GOSISDBHSA-N 1 0 295.430 4.762 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214097 567919765 /nfs/dbraw/zinc/91/97/65/567919765.db2.gz OUDBBUOGUXLHIQ-SFHVURJKSA-N 1 0 295.430 4.762 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214098 567919520 /nfs/dbraw/zinc/91/95/20/567919520.db2.gz SDLULJVHUBTHFL-GOSISDBHSA-N 1 0 295.430 4.761 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214099 567919467 /nfs/dbraw/zinc/91/94/67/567919467.db2.gz SDLULJVHUBTHFL-SFHVURJKSA-N 1 0 295.430 4.761 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214141 567919962 /nfs/dbraw/zinc/91/99/62/567919962.db2.gz MGYGJWOLFJQBQE-GOSISDBHSA-N 1 0 295.430 4.618 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214142 567919880 /nfs/dbraw/zinc/91/98/80/567919880.db2.gz MGYGJWOLFJQBQE-SFHVURJKSA-N 1 0 295.430 4.618 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214143 567919496 /nfs/dbraw/zinc/91/94/96/567919496.db2.gz KHWPYASUTANVJA-GOSISDBHSA-N 1 0 295.430 4.762 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214144 567920047 /nfs/dbraw/zinc/92/00/47/567920047.db2.gz KHWPYASUTANVJA-SFHVURJKSA-N 1 0 295.430 4.762 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214156 567919464 /nfs/dbraw/zinc/91/94/64/567919464.db2.gz FTUGBUQEEKVVIG-GOSISDBHSA-N 1 0 295.430 4.762 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214157 567919661 /nfs/dbraw/zinc/91/96/61/567919661.db2.gz FTUGBUQEEKVVIG-SFHVURJKSA-N 1 0 295.430 4.762 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214158 567919446 /nfs/dbraw/zinc/91/94/46/567919446.db2.gz VWLCCHAYNCILRS-GOSISDBHSA-N 1 0 295.430 4.761 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214159 567919630 /nfs/dbraw/zinc/91/96/30/567919630.db2.gz VWLCCHAYNCILRS-SFHVURJKSA-N 1 0 295.430 4.761 40 0 CJABRO CSc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072216907 567921347 /nfs/dbraw/zinc/92/13/47/567921347.db2.gz ZCUJJONCGSLCBZ-KRWDZBQOSA-N 1 0 298.455 4.531 40 0 CJABRO CSc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072216908 567921355 /nfs/dbraw/zinc/92/13/55/567921355.db2.gz ZCUJJONCGSLCBZ-QGZVFWFLSA-N 1 0 298.455 4.531 40 0 CJABRO CSc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072216967 567921290 /nfs/dbraw/zinc/92/12/90/567921290.db2.gz CJAQIRUACJSODJ-KRWDZBQOSA-N 1 0 298.455 4.531 40 0 CJABRO CSc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072216968 567921112 /nfs/dbraw/zinc/92/11/12/567921112.db2.gz CJAQIRUACJSODJ-QGZVFWFLSA-N 1 0 298.455 4.531 40 0 CJABRO CCSc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217110 567921303 /nfs/dbraw/zinc/92/13/03/567921303.db2.gz KGJVNPVVMKQXOM-KRWDZBQOSA-N 1 0 298.455 4.531 40 0 CJABRO CCSc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217111 567921033 /nfs/dbraw/zinc/92/10/33/567921033.db2.gz KGJVNPVVMKQXOM-QGZVFWFLSA-N 1 0 298.455 4.531 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(SCC)nc1 ZINC000072217145 567921098 /nfs/dbraw/zinc/92/10/98/567921098.db2.gz MGCHODOWXMHEAG-OAHLLOKOSA-N 1 0 278.465 4.521 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(SCC)nc1 ZINC000072217146 567921136 /nfs/dbraw/zinc/92/11/36/567921136.db2.gz MGCHODOWXMHEAG-HNNXBMFYSA-N 1 0 278.465 4.521 40 0 CJABRO CCSc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217170 567921095 /nfs/dbraw/zinc/92/10/95/567921095.db2.gz LZFCRWGRQZJNTB-KRWDZBQOSA-N 1 0 298.455 4.531 40 0 CJABRO CCSc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217171 567921115 /nfs/dbraw/zinc/92/11/15/567921115.db2.gz LZFCRWGRQZJNTB-QGZVFWFLSA-N 1 0 298.455 4.531 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1SCC ZINC000072217205 567920899 /nfs/dbraw/zinc/92/08/99/567920899.db2.gz MQZDPJCWFUQMDU-OAHLLOKOSA-N 1 0 278.465 4.521 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1SCC ZINC000072217206 567921238 /nfs/dbraw/zinc/92/12/38/567921238.db2.gz MQZDPJCWFUQMDU-HNNXBMFYSA-N 1 0 278.465 4.521 40 0 CJABRO CC[N@@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217232 567920017 /nfs/dbraw/zinc/92/00/17/567920017.db2.gz YBNWZKPZRGDDPA-MRXNPFEDSA-N 1 0 290.476 4.663 40 0 CJABRO CC[N@@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217233 567919670 /nfs/dbraw/zinc/91/96/70/567919670.db2.gz YBNWZKPZRGDDPA-INIZCTEOSA-N 1 0 290.476 4.663 40 0 CJABRO C[N@@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217255 567919620 /nfs/dbraw/zinc/91/96/20/567919620.db2.gz MUHXNDAUGKACRY-MRXNPFEDSA-N 1 0 290.476 4.663 40 0 CJABRO C[N@@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217256 567919712 /nfs/dbraw/zinc/91/97/12/567919712.db2.gz MUHXNDAUGKACRY-INIZCTEOSA-N 1 0 290.476 4.663 40 0 CJABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217292 567919904 /nfs/dbraw/zinc/91/99/04/567919904.db2.gz CKBCQWSLVXSVNN-MRXNPFEDSA-N 1 0 290.476 4.663 40 0 CJABRO CC[N@@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217293 567919684 /nfs/dbraw/zinc/91/96/84/567919684.db2.gz CKBCQWSLVXSVNN-INIZCTEOSA-N 1 0 290.476 4.663 40 0 CJABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217315 567919979 /nfs/dbraw/zinc/91/99/79/567919979.db2.gz ZPEUWVAZKPHVJQ-MRXNPFEDSA-N 1 0 290.476 4.663 40 0 CJABRO C[N@@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217316 567920010 /nfs/dbraw/zinc/92/00/10/567920010.db2.gz ZPEUWVAZKPHVJQ-INIZCTEOSA-N 1 0 290.476 4.663 40 0 CJABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217360 567920084 /nfs/dbraw/zinc/92/00/84/567920084.db2.gz XKYGWFLIMZQNAL-CQSZACIVSA-N 1 0 278.465 4.518 40 0 CJABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217361 567919871 /nfs/dbraw/zinc/91/98/71/567919871.db2.gz XKYGWFLIMZQNAL-AWEZNQCLSA-N 1 0 278.465 4.518 40 0 CJABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217362 567919939 /nfs/dbraw/zinc/91/99/39/567919939.db2.gz ACJBQVSBFBOVRR-CQSZACIVSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217363 567919987 /nfs/dbraw/zinc/91/99/87/567919987.db2.gz ACJBQVSBFBOVRR-AWEZNQCLSA-N 1 0 278.465 4.519 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217364 567919525 /nfs/dbraw/zinc/91/95/25/567919525.db2.gz AISDXYCPPXDICQ-OAHLLOKOSA-N 1 0 292.492 4.765 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217365 567920024 /nfs/dbraw/zinc/92/00/24/567920024.db2.gz AISDXYCPPXDICQ-HNNXBMFYSA-N 1 0 292.492 4.765 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217366 567919487 /nfs/dbraw/zinc/91/94/87/567919487.db2.gz DAHMARWLNIUVJG-OAHLLOKOSA-N 1 0 292.492 4.909 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217367 567919570 /nfs/dbraw/zinc/91/95/70/567919570.db2.gz DAHMARWLNIUVJG-HNNXBMFYSA-N 1 0 292.492 4.909 40 0 CJABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217377 567919727 /nfs/dbraw/zinc/91/97/27/567919727.db2.gz PSJDMMCBRIGYNV-CQSZACIVSA-N 1 0 278.465 4.519 40 0 CJABRO CC[N@@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217378 567919771 /nfs/dbraw/zinc/91/97/71/567919771.db2.gz PSJDMMCBRIGYNV-AWEZNQCLSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217379 567919747 /nfs/dbraw/zinc/91/97/47/567919747.db2.gz BRBLJHZATKQOAZ-OAHLLOKOSA-N 1 0 292.492 4.909 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217380 567919461 /nfs/dbraw/zinc/91/94/61/567919461.db2.gz BRBLJHZATKQOAZ-HNNXBMFYSA-N 1 0 292.492 4.909 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217381 567919899 /nfs/dbraw/zinc/91/98/99/567919899.db2.gz SVLBRLGQWJMKBF-OAHLLOKOSA-N 1 0 292.492 4.908 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217382 567919919 /nfs/dbraw/zinc/91/99/19/567919919.db2.gz SVLBRLGQWJMKBF-HNNXBMFYSA-N 1 0 292.492 4.908 40 0 CJABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217420 567919583 /nfs/dbraw/zinc/91/95/83/567919583.db2.gz IZKAZTABKSOHAP-CQSZACIVSA-N 1 0 278.465 4.518 40 0 CJABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217421 567919627 /nfs/dbraw/zinc/91/96/27/567919627.db2.gz IZKAZTABKSOHAP-AWEZNQCLSA-N 1 0 278.465 4.518 40 0 CJABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217422 567919706 /nfs/dbraw/zinc/91/97/06/567919706.db2.gz CJBCXWJETZSYQR-CQSZACIVSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217423 567919549 /nfs/dbraw/zinc/91/95/49/567919549.db2.gz CJBCXWJETZSYQR-AWEZNQCLSA-N 1 0 278.465 4.519 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217424 567919849 /nfs/dbraw/zinc/91/98/49/567919849.db2.gz QBSJFOFPVMHCON-OAHLLOKOSA-N 1 0 292.492 4.765 40 0 CJABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217425 567919892 /nfs/dbraw/zinc/91/98/92/567919892.db2.gz QBSJFOFPVMHCON-HNNXBMFYSA-N 1 0 292.492 4.765 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217426 567919655 /nfs/dbraw/zinc/91/96/55/567919655.db2.gz JONJCTKKVVWLFM-OAHLLOKOSA-N 1 0 292.492 4.909 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217427 567919874 /nfs/dbraw/zinc/91/98/74/567919874.db2.gz JONJCTKKVVWLFM-HNNXBMFYSA-N 1 0 292.492 4.909 40 0 CJABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217437 567919559 /nfs/dbraw/zinc/91/95/59/567919559.db2.gz HURITYWKINFNSH-CQSZACIVSA-N 1 0 278.465 4.519 40 0 CJABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217438 567919633 /nfs/dbraw/zinc/91/96/33/567919633.db2.gz HURITYWKINFNSH-AWEZNQCLSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217439 567919603 /nfs/dbraw/zinc/91/96/03/567919603.db2.gz CIMNBIUUCLKAMY-OAHLLOKOSA-N 1 0 292.492 4.909 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217440 567919505 /nfs/dbraw/zinc/91/95/05/567919505.db2.gz CIMNBIUUCLKAMY-HNNXBMFYSA-N 1 0 292.492 4.909 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217441 567919756 /nfs/dbraw/zinc/91/97/56/567919756.db2.gz AQOOFGUYJQJQQA-OAHLLOKOSA-N 1 0 292.492 4.908 40 0 CJABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217442 567919667 /nfs/dbraw/zinc/91/96/67/567919667.db2.gz AQOOFGUYJQJQQA-HNNXBMFYSA-N 1 0 292.492 4.908 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217486 567920790 /nfs/dbraw/zinc/92/07/90/567920790.db2.gz FQZYFONOONVRLC-OAHLLOKOSA-N 1 0 278.465 4.519 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217487 567920220 /nfs/dbraw/zinc/92/02/20/567920220.db2.gz FQZYFONOONVRLC-HNNXBMFYSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217499 567920223 /nfs/dbraw/zinc/92/02/23/567920223.db2.gz RKQAUPNXTVSWIW-OAHLLOKOSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217500 567920536 /nfs/dbraw/zinc/92/05/36/567920536.db2.gz RKQAUPNXTVSWIW-HNNXBMFYSA-N 1 0 278.465 4.519 40 0 CJABRO CC(C)Sc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072217501 567920532 /nfs/dbraw/zinc/92/05/32/567920532.db2.gz NGZOJKZGZZGBDI-OAHLLOKOSA-N 1 0 278.465 4.518 40 0 CJABRO CC(C)Sc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC000072217502 567920710 /nfs/dbraw/zinc/92/07/10/567920710.db2.gz NGZOJKZGZZGBDI-HNNXBMFYSA-N 1 0 278.465 4.518 40 0 CJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217503 567920166 /nfs/dbraw/zinc/92/01/66/567920166.db2.gz YWYLILWUKSXCRL-MRXNPFEDSA-N 1 0 292.492 4.765 40 0 CJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217504 567920244 /nfs/dbraw/zinc/92/02/44/567920244.db2.gz YWYLILWUKSXCRL-INIZCTEOSA-N 1 0 292.492 4.765 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217505 567920389 /nfs/dbraw/zinc/92/03/89/567920389.db2.gz MQPZZLPWFPGQNV-MRXNPFEDSA-N 1 0 292.492 4.909 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217506 567920261 /nfs/dbraw/zinc/92/02/61/567920261.db2.gz MQPZZLPWFPGQNV-INIZCTEOSA-N 1 0 292.492 4.909 40 0 CJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217546 567920593 /nfs/dbraw/zinc/92/05/93/567920593.db2.gz SMULHDAYCAPKKS-OAHLLOKOSA-N 1 0 278.465 4.519 40 0 CJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217547 567920781 /nfs/dbraw/zinc/92/07/81/567920781.db2.gz SMULHDAYCAPKKS-HNNXBMFYSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217559 567920106 /nfs/dbraw/zinc/92/01/06/567920106.db2.gz KYHCOGCQLKMNEY-OAHLLOKOSA-N 1 0 278.465 4.519 40 0 CJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217560 567920677 /nfs/dbraw/zinc/92/06/77/567920677.db2.gz KYHCOGCQLKMNEY-HNNXBMFYSA-N 1 0 278.465 4.519 40 0 CJABRO CC(C)Sc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072217561 567920612 /nfs/dbraw/zinc/92/06/12/567920612.db2.gz DLYWSUIUBNXSLK-OAHLLOKOSA-N 1 0 278.465 4.518 40 0 CJABRO CC(C)Sc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072217562 567920743 /nfs/dbraw/zinc/92/07/43/567920743.db2.gz DLYWSUIUBNXSLK-HNNXBMFYSA-N 1 0 278.465 4.518 40 0 CJABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217563 567920471 /nfs/dbraw/zinc/92/04/71/567920471.db2.gz DNZNTJDRIOOKQA-MRXNPFEDSA-N 1 0 292.492 4.765 40 0 CJABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217564 567920321 /nfs/dbraw/zinc/92/03/21/567920321.db2.gz DNZNTJDRIOOKQA-INIZCTEOSA-N 1 0 292.492 4.765 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217565 567920719 /nfs/dbraw/zinc/92/07/19/567920719.db2.gz IEKOZUHRLFBVHH-MRXNPFEDSA-N 1 0 292.492 4.909 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217566 256709631 /nfs/dbraw/zinc/70/96/31/256709631.db2.gz IEKOZUHRLFBVHH-INIZCTEOSA-N 1 0 292.492 4.909 40 0 CJABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217600 256709458 /nfs/dbraw/zinc/70/94/58/256709458.db2.gz TTZYTYNACKZRQI-QGZVFWFLSA-N 1 0 298.455 4.778 40 0 CJABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217601 567920333 /nfs/dbraw/zinc/92/03/33/567920333.db2.gz TTZYTYNACKZRQI-KRWDZBQOSA-N 1 0 298.455 4.778 40 0 CJABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217602 567920461 /nfs/dbraw/zinc/92/04/61/567920461.db2.gz TYPOBXNGOHKUPK-QGZVFWFLSA-N 1 0 298.455 4.780 40 0 CJABRO CCC[N@@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217603 567920771 /nfs/dbraw/zinc/92/07/71/567920771.db2.gz TYPOBXNGOHKUPK-KRWDZBQOSA-N 1 0 298.455 4.780 40 0 CJABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217617 567920516 /nfs/dbraw/zinc/92/05/16/567920516.db2.gz BTIQOZGBPFJCBZ-QGZVFWFLSA-N 1 0 298.455 4.780 40 0 CJABRO CC[N@@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217618 567920181 /nfs/dbraw/zinc/92/01/81/567920181.db2.gz BTIQOZGBPFJCBZ-KRWDZBQOSA-N 1 0 298.455 4.780 40 0 CJABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217660 567920713 /nfs/dbraw/zinc/92/07/13/567920713.db2.gz CHIUHNKLHUAICC-QGZVFWFLSA-N 1 0 298.455 4.778 40 0 CJABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217661 567920626 /nfs/dbraw/zinc/92/06/26/567920626.db2.gz CHIUHNKLHUAICC-KRWDZBQOSA-N 1 0 298.455 4.778 40 0 CJABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217662 567920294 /nfs/dbraw/zinc/92/02/94/567920294.db2.gz FMNYSNTZDAQWSH-QGZVFWFLSA-N 1 0 298.455 4.780 40 0 CJABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217663 567920653 /nfs/dbraw/zinc/92/06/53/567920653.db2.gz FMNYSNTZDAQWSH-KRWDZBQOSA-N 1 0 298.455 4.780 40 0 CJABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217677 567920568 /nfs/dbraw/zinc/92/05/68/567920568.db2.gz HQBCCYGNHLEKJG-QGZVFWFLSA-N 1 0 298.455 4.780 40 0 CJABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217678 567920102 /nfs/dbraw/zinc/92/01/02/567920102.db2.gz HQBCCYGNHLEKJG-KRWDZBQOSA-N 1 0 298.455 4.780 40 0 CJABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cnc3ccccc3c2)cc1 ZINC000072219556 567921847 /nfs/dbraw/zinc/92/18/47/567921847.db2.gz CNVGGBCIDZGXQA-HXUWFJFHSA-N 1 0 288.394 4.572 40 0 CJABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cnc3ccccc3c2)cc1 ZINC000072219557 567921612 /nfs/dbraw/zinc/92/16/12/567921612.db2.gz CNVGGBCIDZGXQA-FQEVSTJZSA-N 1 0 288.394 4.572 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219589 567921715 /nfs/dbraw/zinc/92/17/15/567921715.db2.gz AWFYAKZEQBVORD-GOSISDBHSA-N 1 0 268.404 4.562 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219590 567921676 /nfs/dbraw/zinc/92/16/76/567921676.db2.gz AWFYAKZEQBVORD-SFHVURJKSA-N 1 0 268.404 4.562 40 0 CJABRO c1cc2cc([C@H]3CCC[N@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221721 567922364 /nfs/dbraw/zinc/92/23/64/567922364.db2.gz ACSDWCRQLJINMQ-LJQANCHMSA-N 1 0 276.383 4.505 40 0 CJABRO c1cc2cc([C@@H]3CCC[N@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221722 567922276 /nfs/dbraw/zinc/92/22/76/567922276.db2.gz ACSDWCRQLJINMQ-IBGZPJMESA-N 1 0 276.383 4.505 40 0 CJABRO c1cc2cc([C@H]3CCCC[N@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221758 567922080 /nfs/dbraw/zinc/92/20/80/567922080.db2.gz FGTSVVMPTXSVBO-HXUWFJFHSA-N 1 0 290.410 4.895 40 0 CJABRO c1cc2cc([C@@H]3CCCC[N@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000072221759 256706595 /nfs/dbraw/zinc/70/65/95/256706595.db2.gz FGTSVVMPTXSVBO-FQEVSTJZSA-N 1 0 290.410 4.895 40 0 CJABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3ncccc3c2)cc1 ZINC000072221776 567922330 /nfs/dbraw/zinc/92/23/30/567922330.db2.gz WSBQHCPBIRKVCP-HXUWFJFHSA-N 1 0 288.394 4.572 40 0 CJABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3ncccc3c2)cc1 ZINC000072221777 567922015 /nfs/dbraw/zinc/92/20/15/567922015.db2.gz WSBQHCPBIRKVCP-FQEVSTJZSA-N 1 0 288.394 4.572 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221811 567922398 /nfs/dbraw/zinc/92/23/98/567922398.db2.gz RQYZJJJYKUUIFN-GOSISDBHSA-N 1 0 268.404 4.562 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000072221812 567922183 /nfs/dbraw/zinc/92/21/83/567922183.db2.gz RQYZJJJYKUUIFN-SFHVURJKSA-N 1 0 268.404 4.562 40 0 CJABRO Fc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000072221854 567922180 /nfs/dbraw/zinc/92/21/80/567922180.db2.gz LNOVHUJTGBSHTP-GOSISDBHSA-N 1 0 269.363 4.553 40 0 CJABRO Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000072221855 567922343 /nfs/dbraw/zinc/92/23/43/567922343.db2.gz LNOVHUJTGBSHTP-SFHVURJKSA-N 1 0 269.363 4.553 40 0 CJABRO [NH3+][C@@H](c1ccccc1)c1ccc(SC2CCCCC2)nc1 ZINC000072225729 567922759 /nfs/dbraw/zinc/92/27/59/567922759.db2.gz SWGJAJVIIBBPMK-SFHVURJKSA-N 1 0 298.455 4.555 40 0 CJABRO [NH3+][C@H](c1ccccc1)c1ccc(SC2CCCCC2)nc1 ZINC000072225730 567922791 /nfs/dbraw/zinc/92/27/91/567922791.db2.gz SWGJAJVIIBBPMK-GOSISDBHSA-N 1 0 298.455 4.555 40 0 CJABRO CC[C@H]([NH3+])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000085565203 179095038 /nfs/dbraw/zinc/09/50/38/179095038.db2.gz WGXSTWUJRAFSQI-ZSWVUIPGSA-N 1 0 269.432 4.564 40 0 CJABRO CC[C@@H]([NH3+])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000085565206 179094851 /nfs/dbraw/zinc/09/48/51/179094851.db2.gz WGXSTWUJRAFSQI-DKENDCILSA-N 1 0 269.432 4.564 40 0 CJABRO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000089212511 567897416 /nfs/dbraw/zinc/89/74/16/567897416.db2.gz WTOSWPBNFCJVHA-UHFFFAOYSA-N 1 0 287.353 4.540 40 0 CJABRO CCCCC[C@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000095533193 185007547 /nfs/dbraw/zinc/00/75/47/185007547.db2.gz GEWUHVQZBHHLJX-ZDUSSCGKSA-N 1 0 259.315 4.546 40 0 CJABRO CCCCC[C@@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000095533194 185006614 /nfs/dbraw/zinc/00/66/14/185006614.db2.gz GEWUHVQZBHHLJX-CYBMUJFWSA-N 1 0 259.315 4.546 40 0 CJABRO CCCCCC[C@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000095533196 185006330 /nfs/dbraw/zinc/00/63/30/185006330.db2.gz GCICZNLKWWNPNR-AWEZNQCLSA-N 1 0 273.342 4.936 40 0 CJABRO CCCCCC[C@@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000095533198 185006719 /nfs/dbraw/zinc/00/67/19/185006719.db2.gz GCICZNLKWWNPNR-CQSZACIVSA-N 1 0 273.342 4.936 40 0 CJABRO CC(C)c1ccc(Nc2ccc(C[NH+](C)C)cc2)cc1 ZINC000095869778 185030183 /nfs/dbraw/zinc/03/01/83/185030183.db2.gz UKQUAYWOCMPZOJ-UHFFFAOYSA-N 1 0 268.404 4.615 40 0 CJABRO Cc1[nH+]c2ccc(F)cc2c(Nc2ccccc2)c1C ZINC000095951599 185040198 /nfs/dbraw/zinc/04/01/98/185040198.db2.gz UYNKXHWTAWAHTR-UHFFFAOYSA-N 1 0 266.319 4.734 40 0 CJABRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2cccs2)CC1 ZINC000096052539 185074817 /nfs/dbraw/zinc/07/48/17/185074817.db2.gz ZDCVAUJPHPPFRK-UHFFFAOYSA-N 1 0 297.467 4.537 40 0 CJABRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccsc2)CC1 ZINC000096052541 185075003 /nfs/dbraw/zinc/07/50/03/185075003.db2.gz VBVBAHYBYLARTI-UHFFFAOYSA-N 1 0 297.467 4.537 40 0 CJABRO C/C=C1/[N@H+](C)[C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000100053167 567217852 /nfs/dbraw/zinc/21/78/52/567217852.db2.gz AJRJPORIQGYFMT-JVXRWIERSA-N 1 0 277.411 4.601 40 0 endogenous,world CJABRO C/C=C1/[N@H+](C)[C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000100199161 574417239 /nfs/dbraw/zinc/41/72/39/574417239.db2.gz AJRJPORIQGYFMT-FLJZTZRASA-N 1 0 277.411 4.601 40 0 endogenous,world CJABRO C[N+]1=C(c2ccccc2)CSc2c3ccccc3ccc21 ZINC000100983459 567914333 /nfs/dbraw/zinc/91/43/33/567914333.db2.gz AEOQXQDVMVVRPT-UHFFFAOYSA-N 1 0 290.411 4.709 40 0 CJABRO [NH2+]=C(c1cccs1)c1ccccc1Cc1ccccc1 ZINC000104074651 567915971 /nfs/dbraw/zinc/91/59/71/567915971.db2.gz DEMNKAXIQISAOV-UHFFFAOYSA-N 1 0 277.392 4.755 40 0 CJABRO C#[N+]c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000104899411 186030368 /nfs/dbraw/zinc/03/03/68/186030368.db2.gz ZPBGQRPFJGMLJD-UHFFFAOYSA-N 1 0 276.122 4.775 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368546 567103695 /nfs/dbraw/zinc/10/36/95/567103695.db2.gz VDYYGFWFOWPMKA-NVXWUHKLSA-N 1 0 289.467 4.619 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N[C@H](C)CC ZINC000108368551 567103141 /nfs/dbraw/zinc/10/31/41/567103141.db2.gz VDYYGFWFOWPMKA-WBVHZDCISA-N 1 0 289.467 4.619 40 0 CJABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368683 567104223 /nfs/dbraw/zinc/10/42/23/567104223.db2.gz AKJSKMNOFXRREZ-NVXWUHKLSA-N 1 0 289.467 4.619 40 0 CJABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368687 567104002 /nfs/dbraw/zinc/10/40/02/567104002.db2.gz AKJSKMNOFXRREZ-WBVHZDCISA-N 1 0 289.467 4.619 40 0 CJABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000142362247 567083601 /nfs/dbraw/zinc/08/36/01/567083601.db2.gz PHCOPFWATCMYAH-UHFFFAOYSA-N 1 0 299.458 4.837 40 0 CJABRO c1ccc(-c2nc3cc(C[NH2+]C4CCCC4)ccc3o2)cc1 ZINC000216789354 570346194 /nfs/dbraw/zinc/34/61/94/570346194.db2.gz QFEOATYWMSPTBJ-UHFFFAOYSA-N 1 0 292.382 4.527 40 0 CJABRO CCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(N)c1 ZINC000218282947 566843426 /nfs/dbraw/zinc/84/34/26/566843426.db2.gz SEVSHNDGDUCKNT-INIZCTEOSA-N 1 0 282.431 4.550 40 0 CJABRO CCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(N)c1 ZINC000218282989 566843071 /nfs/dbraw/zinc/84/30/71/566843071.db2.gz SEVSHNDGDUCKNT-MRXNPFEDSA-N 1 0 282.431 4.550 40 0 CJABRO CCCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(N)c1 ZINC000218283076 333130383 /nfs/dbraw/zinc/13/03/83/333130383.db2.gz QMBUGMGMVPGXRS-KRWDZBQOSA-N 1 0 296.458 4.941 40 0 CJABRO CCCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(N)c1 ZINC000218283133 333130264 /nfs/dbraw/zinc/13/02/64/333130264.db2.gz QMBUGMGMVPGXRS-QGZVFWFLSA-N 1 0 296.458 4.941 40 0 CJABRO CCCC[NH2+][C@@H](CC)c1cccc(Cl)c1Cl ZINC000222636198 567948980 /nfs/dbraw/zinc/94/89/80/567948980.db2.gz JJRYSPOPKXFQBV-LBPRGKRZSA-N 1 0 260.208 4.834 40 0 CJABRO CCCC[NH2+][C@H](CC)c1cccc(Cl)c1Cl ZINC000222636270 189732572 /nfs/dbraw/zinc/73/25/72/189732572.db2.gz JJRYSPOPKXFQBV-GFCCVEGCSA-N 1 0 260.208 4.834 40 0 CJABRO CC[C@@H]([NH2+]CC(C)C)c1cccc(Cl)c1Cl ZINC000222636349 567948988 /nfs/dbraw/zinc/94/89/88/567948988.db2.gz LSWBDDNHURNECX-GFCCVEGCSA-N 1 0 260.208 4.690 40 0 CJABRO CC[C@H]([NH2+]CC(C)C)c1cccc(Cl)c1Cl ZINC000222636408 567948923 /nfs/dbraw/zinc/94/89/23/567948923.db2.gz LSWBDDNHURNECX-LBPRGKRZSA-N 1 0 260.208 4.690 40 0 CJABRO CC[C@@H]([NH2+]CC(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000222637480 567948899 /nfs/dbraw/zinc/94/88/99/567948899.db2.gz VTGUOVHTDDQABF-HXUWFJFHSA-N 1 0 297.442 4.962 40 0 CJABRO CC[C@H]([NH2+]CC(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000222637551 567949016 /nfs/dbraw/zinc/94/90/16/567949016.db2.gz VTGUOVHTDDQABF-FQEVSTJZSA-N 1 0 297.442 4.962 40 0 CJABRO CCCC[NH2+]Cc1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000223677562 567950399 /nfs/dbraw/zinc/95/03/99/567950399.db2.gz IPUDYFHSCQWQMJ-INIZCTEOSA-N 1 0 284.447 4.604 40 0 CJABRO CCCC[NH2+]Cc1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000223677617 567950202 /nfs/dbraw/zinc/95/02/02/567950202.db2.gz IPUDYFHSCQWQMJ-MRXNPFEDSA-N 1 0 284.447 4.604 40 0 CJABRO CC(C)C1=CC2=CC[C@@H]3[C@@](C)([NH3+])CCC[C@@]3(C)[C@@H]2CC1 ZINC000225749955 567147075 /nfs/dbraw/zinc/14/70/75/567147075.db2.gz WGUAVOHEVMETEV-XWSJACJDSA-N 1 0 273.464 4.833 40 0 CJABRO CC(C)C1=CC2=CC[C@H]3[C@@](C)([NH3+])CCC[C@@]3(C)[C@@H]2CC1 ZINC000225749982 567146144 /nfs/dbraw/zinc/14/61/44/567146144.db2.gz WGUAVOHEVMETEV-YRXWBPOGSA-N 1 0 273.464 4.833 40 0 CJABRO CC(C)C1=CC2=CC[C@@H]3[C@](C)([NH3+])CCC[C@@]3(C)[C@H]2CC1 ZINC000242701532 567194771 /nfs/dbraw/zinc/19/47/71/567194771.db2.gz WGUAVOHEVMETEV-CADBVGFASA-N 1 0 273.464 4.833 40 0 CJABRO CC(C)C1=CC2=CC[C@@H]3[C@](C)([NH3+])CCC[C@]3(C)[C@H]2CC1 ZINC000242701533 256698136 /nfs/dbraw/zinc/69/81/36/256698136.db2.gz WGUAVOHEVMETEV-INDMIFKZSA-N 1 0 273.464 4.833 40 0 CJABRO Clc1ccc(CC2CCC([NH+]3CCCC3)CC2)cc1 ZINC000257228522 190015898 /nfs/dbraw/zinc/01/58/98/190015898.db2.gz FUEBXXTZMSLAIL-UHFFFAOYSA-N 1 0 277.839 4.537 40 0 CJABRO Cc1ccc(Oc2ccccc2OC[C@@H]([NH3+])CC(C)C)cc1 ZINC000585263980 567910297 /nfs/dbraw/zinc/91/02/97/567910297.db2.gz TUZJUIRPZNZICL-INIZCTEOSA-N 1 0 299.414 4.540 40 0 CJABRO