smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000003308285 194275605 /nfs/dbraw/zinc/27/56/05/194275605.db2.gz DQROCWBFDYGWID-UHFFFAOYSA-N 1 0 495.020 2.768 50 0 JFAARO C[NH+](C)CCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670442 194358314 /nfs/dbraw/zinc/35/83/14/194358314.db2.gz SADQVEJMTUZHLK-IBGZPJMESA-N 1 0 467.751 2.978 50 0 JFAARO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000003811314 194361667 /nfs/dbraw/zinc/36/16/67/194361667.db2.gz KUWBXRGRMQZCSS-HSZRJFAPSA-N 1 0 473.577 2.589 50 0 in-vivo JFAARO CCC[NH+](CCC)CCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000004034423 194371044 /nfs/dbraw/zinc/37/10/44/194371044.db2.gz RXGAAKBVAQXHBF-XMMPIXPASA-N 1 0 486.638 2.829 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000004195700 194383581 /nfs/dbraw/zinc/38/35/81/194383581.db2.gz FJCBJYFFWGECRB-OAQYLSRUSA-N 1 0 467.497 2.529 50 0 JFAARO CSCC[C@H](NC(=O)c1cc(C)cc(C)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009409768 194754799 /nfs/dbraw/zinc/75/47/99/194754799.db2.gz PNNHTUWSDYOKAG-FQEVSTJZSA-N 1 0 455.628 2.542 50 0 JFAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCC2 ZINC000009746093 194939435 /nfs/dbraw/zinc/93/94/35/194939435.db2.gz ISSVUCGRPTYQHR-UHFFFAOYSA-N 1 0 458.584 2.923 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000009873772 195007571 /nfs/dbraw/zinc/00/75/71/195007571.db2.gz VUMHGWKUDKNIRZ-HSZRJFAPSA-N 1 0 457.596 2.974 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)[NH+]2CCCC2)cc1 ZINC000012752707 195106665 /nfs/dbraw/zinc/10/66/65/195106665.db2.gz VZGIHTJUZPLNOU-NLFFAJNJSA-N 1 0 482.606 2.952 50 0 JFAARO CC(C)CC[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C)C1CC1 ZINC000012847610 195152900 /nfs/dbraw/zinc/15/29/00/195152900.db2.gz VUESDMYGFNACMT-UHFFFAOYSA-N 1 0 467.632 2.944 50 0 JFAARO CN1CC[NH+](C2(CNC(=O)COc3cc(O)c4c(c3)OC(C)(C)CC4=O)CCCCC2)CC1 ZINC000020624329 195191191 /nfs/dbraw/zinc/19/11/91/195191191.db2.gz VUAPXASYYCXBHO-UHFFFAOYSA-N 1 0 459.587 2.581 50 0 JFAARO CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)c3c2)CC1 ZINC000020682090 195204010 /nfs/dbraw/zinc/20/40/10/195204010.db2.gz OJMIIJCFFRDAQP-GOSISDBHSA-N 1 0 474.627 2.553 50 0 JFAARO C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3c2)C1 ZINC000020683435 195204506 /nfs/dbraw/zinc/20/45/06/195204506.db2.gz GTRMVOAXQQGYPG-OALUTQOASA-N 1 0 488.654 2.943 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000020781554 195225107 /nfs/dbraw/zinc/22/51/07/195225107.db2.gz RFGKJTVHGBWZRU-INIZCTEOSA-N 1 0 460.550 2.716 50 0 JFAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000021052344 195272791 /nfs/dbraw/zinc/27/27/91/195272791.db2.gz TWKAKIYYRCZRCL-NRFANRHFSA-N 1 0 470.705 2.508 50 0 JFAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000021052429 195272803 /nfs/dbraw/zinc/27/28/03/195272803.db2.gz RXTVEGZIDQFZBB-NRFANRHFSA-N 1 0 470.705 2.508 50 0 JFAARO CCOC(=O)C1CC[NH+]([C@H](c2ccccc2OC)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097703 195275573 /nfs/dbraw/zinc/27/55/73/195275573.db2.gz CSGUFWBNOLTSCL-HSZRJFAPSA-N 1 0 458.555 2.882 50 0 JFAARO C[N@H+](CCCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1)Cc1ccccc1 ZINC000021096962 195275605 /nfs/dbraw/zinc/27/56/05/195275605.db2.gz QRHPTVPNWOCOHB-UHFFFAOYSA-N 1 0 456.568 2.614 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3nc(CS(=O)(=O)c4ccccc4)no3)CC2)c1 ZINC000021096874 195275683 /nfs/dbraw/zinc/27/56/83/195275683.db2.gz WBAJWNQISBKRNS-UHFFFAOYSA-N 1 0 497.621 2.602 50 0 JFAARO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2OC)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097698 195275725 /nfs/dbraw/zinc/27/57/25/195275725.db2.gz CSGUFWBNOLTSCL-QHCPKHFHSA-N 1 0 458.555 2.882 50 0 JFAARO C[C@@H](CCNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)[NH+]1CCCC1 ZINC000021110017 195277477 /nfs/dbraw/zinc/27/74/77/195277477.db2.gz YFVAXODBSQYRRF-MQFAKOPTSA-N 1 0 453.612 2.902 50 0 JFAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000021534240 195310684 /nfs/dbraw/zinc/31/06/84/195310684.db2.gz XHCRHDFDBSJXSZ-UHFFFAOYSA-N 1 0 459.612 2.633 50 0 JFAARO CN1c2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021938649 195338000 /nfs/dbraw/zinc/33/80/00/195338000.db2.gz CERUCOQWVAPEBR-XMMPIXPASA-N 1 0 461.610 2.964 50 0 JFAARO CN1c2cc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000021938686 195338070 /nfs/dbraw/zinc/33/80/70/195338070.db2.gz LZHWDCXTIGSQLJ-DEOSSOPVSA-N 1 0 461.610 2.570 50 0 JFAARO CCn1c2ccccc2n(CC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(=O)c1=O ZINC000021944066 195339927 /nfs/dbraw/zinc/33/99/27/195339927.db2.gz KYSDOSQNWIDANA-UHFFFAOYSA-N 1 0 468.985 2.865 50 0 JFAARO CON(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)ccc1Cl ZINC000058065406 195363851 /nfs/dbraw/zinc/36/38/51/195363851.db2.gz DDIUEUJKFGACFT-UHFFFAOYSA-N 1 0 466.991 2.522 50 0 JFAARO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000058160762 195368931 /nfs/dbraw/zinc/36/89/31/195368931.db2.gz QXIQHUKZDAINDY-GJZGRUSLSA-N 1 0 453.511 2.664 50 0 JFAARO C[C@H](CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[NH+]1CCC(C)CC1 ZINC000058162439 195369432 /nfs/dbraw/zinc/36/94/32/195369432.db2.gz MXHXQANVSZAUNI-OAHLLOKOSA-N 1 0 453.513 2.596 50 0 JFAARO CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000058162877 195369777 /nfs/dbraw/zinc/36/97/77/195369777.db2.gz ABQZMWMOOBJMDC-XMMPIXPASA-N 1 0 472.655 2.870 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000058171261 195370945 /nfs/dbraw/zinc/37/09/45/195370945.db2.gz CWTRXADGETYJER-KRWDZBQOSA-N 1 0 472.611 2.899 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000058201274 195373169 /nfs/dbraw/zinc/37/31/69/195373169.db2.gz OSGDALUSAQFRRM-QWCYLASJSA-N 1 0 468.708 2.785 50 0 JFAARO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000058324996 195377494 /nfs/dbraw/zinc/37/74/94/195377494.db2.gz UKRABEDRILINMQ-UHFFFAOYSA-N 1 0 467.451 2.594 50 0 JFAARO CS(=O)(=O)Nc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1N1CC[NH2+]CC1 ZINC000096495056 130106669 /nfs/dbraw/zinc/10/66/69/130106669.db2.gz XVHXKIOXAIRILJ-UHFFFAOYSA-N 1 0 456.612 2.563 50 0 JFAARO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000014231612 518770444 /nfs/dbraw/zinc/77/04/44/518770444.db2.gz QRBXTLGFVYUENI-UHFFFAOYSA-N 1 0 492.686 2.798 50 0 JFAARO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000014995656 519248663 /nfs/dbraw/zinc/24/86/63/519248663.db2.gz FHCYEOJIXKUSCB-HSZRJFAPSA-N 1 0 478.597 2.620 50 0 JFAARO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc21 ZINC000048288103 519630684 /nfs/dbraw/zinc/63/06/84/519630684.db2.gz DMPOOIYBWOFUQP-SFHVURJKSA-N 1 0 480.428 2.809 50 0 JFAARO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014732186 519666677 /nfs/dbraw/zinc/66/66/77/519666677.db2.gz ZEWZISOVLDMDFA-LOSJGSFVSA-N 1 0 476.621 2.547 50 0 JFAARO CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000021650487 519701885 /nfs/dbraw/zinc/70/18/85/519701885.db2.gz VTXKBJVHPYHSDD-UHFFFAOYSA-N 1 0 452.603 2.958 50 0 JFAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249821 519771920 /nfs/dbraw/zinc/77/19/20/519771920.db2.gz ZBQGPWRJNGYNBJ-VXKWHMMOSA-N 1 0 459.587 2.945 50 0 JFAARO CCC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)CC1 ZINC000045974028 519855536 /nfs/dbraw/zinc/85/55/36/519855536.db2.gz WIFLYCZCXSDFGF-UHFFFAOYSA-N 1 0 460.619 2.993 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)CC1 ZINC000033031791 519857460 /nfs/dbraw/zinc/85/74/60/519857460.db2.gz YAGWWPHBTQHWOB-UHFFFAOYSA-N 1 0 455.578 2.707 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)CC1 ZINC000033114799 519857937 /nfs/dbraw/zinc/85/79/37/519857937.db2.gz OHRYREVNCRPMSH-UHFFFAOYSA-N 1 0 490.695 2.957 50 0 JFAARO CCOC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036248950 520092427 /nfs/dbraw/zinc/09/24/27/520092427.db2.gz URQJAEQRJDULPA-QFIPXVFZSA-N 1 0 460.619 2.718 50 0 JFAARO CC[NH+](CC)CCNC(=O)C1CCN(c2ncnc3onc(-c4ccc(OC)cc4)c32)CC1 ZINC000033084863 520668564 /nfs/dbraw/zinc/66/85/64/520668564.db2.gz SMTIWMLSJFNLQE-UHFFFAOYSA-N 1 0 452.559 2.968 50 0 JFAARO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000048286149 520673983 /nfs/dbraw/zinc/67/39/83/520673983.db2.gz STPOBOGEOYKERK-SFHVURJKSA-N 1 0 456.605 2.912 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1ccccc1 ZINC000022752883 520838319 /nfs/dbraw/zinc/83/83/19/520838319.db2.gz ACLRSXQSGCPESM-FQEVSTJZSA-N 1 0 467.599 2.754 50 0 JFAARO CCC[C@@]1(C2CCN(C(=O)C=Cc3ccccn3)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000012246985 520956275 /nfs/dbraw/zinc/95/62/75/520956275.db2.gz MACHVWYNGKTXRH-NGPGFSBPSA-N 1 0 467.614 2.908 50 0 JFAARO CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034282 521207139 /nfs/dbraw/zinc/20/71/39/521207139.db2.gz GNIDHVPTGGHOAO-UHFFFAOYSA-N 1 0 472.611 2.968 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000036309343 521538612 /nfs/dbraw/zinc/53/86/12/521538612.db2.gz ZGSDWISWEDRJAH-ICSRJNTNSA-N 1 0 462.612 2.981 50 0 JFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CCN(C(=O)OCC)CC1)C2 ZINC000014752989 521664295 /nfs/dbraw/zinc/66/42/95/521664295.db2.gz NASCSQIVHJKVJL-SFHVURJKSA-N 1 0 463.648 2.550 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)c2ccc(C[S@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000020514790 521683480 /nfs/dbraw/zinc/68/34/80/521683480.db2.gz VRTYKMQCGDPPMI-MUUNZHRXSA-N 1 0 468.417 2.717 50 0 JFAARO CC[NH+]1CCN(Cc2ccc(NC(=O)C3CCN(c4ncnc5onc(C)c54)CC3)cc2)CC1 ZINC000021533184 521687702 /nfs/dbraw/zinc/68/77/02/521687702.db2.gz SBXBCHFKCUUOES-UHFFFAOYSA-N 1 0 463.586 2.919 50 0 JFAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)CC1 ZINC000041155267 521690962 /nfs/dbraw/zinc/69/09/62/521690962.db2.gz PBVYPNKANFSUTR-HNNXBMFYSA-N 1 0 484.416 2.631 50 0 JFAARO CC[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000022784443 521692423 /nfs/dbraw/zinc/69/24/23/521692423.db2.gz PUHATTDVSLJAFC-IBGZPJMESA-N 1 0 453.406 2.501 50 0 JFAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)CC1 ZINC000041155270 521694018 /nfs/dbraw/zinc/69/40/18/521694018.db2.gz PBVYPNKANFSUTR-OAHLLOKOSA-N 1 0 484.416 2.631 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000012244199 522019987 /nfs/dbraw/zinc/01/99/87/522019987.db2.gz XDXNGJJBHDQPAV-SFTDATJTSA-N 1 0 479.625 2.724 50 0 JFAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000014981441 522030703 /nfs/dbraw/zinc/03/07/03/522030703.db2.gz PAQHPFUBBMWNOF-RBBKRZOGSA-N 1 0 451.571 2.651 50 0 JFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)[N@H+](CCCc3ccccc3)C2)nn1 ZINC000014975193 522326259 /nfs/dbraw/zinc/32/62/59/522326259.db2.gz JXPHMJCOJBXWDE-NQIIRXRSSA-N 1 0 453.568 2.691 50 0 JFAARO CCc1nc2cc(C(=O)NCC3CC[NH+](CCO)CC3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000014986303 522483756 /nfs/dbraw/zinc/48/37/56/522483756.db2.gz QKVNBXAQKXQFTE-UHFFFAOYSA-N 1 0 493.608 2.831 50 0 JFAARO C[N@H+](CCCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O)C1CCCCC1 ZINC000035537196 522757626 /nfs/dbraw/zinc/75/76/26/522757626.db2.gz VHRQAFOWXRYPDX-UHFFFAOYSA-N 1 0 464.010 2.787 50 0 JFAARO COc1cc(OC)cc(C(=O)N2CCN([C@@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255067 522845853 /nfs/dbraw/zinc/84/58/53/522845853.db2.gz LPCDCEDGTPSGQW-RUZDIDTESA-N 1 0 486.657 2.623 50 0 JFAARO C[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)Cc1ccccc1 ZINC000008662080 522861370 /nfs/dbraw/zinc/86/13/70/522861370.db2.gz JBRDAHGQJPNKCM-UHFFFAOYSA-N 1 0 482.606 2.565 50 0 JFAARO CCn1c(=O)c(N2CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)nc2cccnc21 ZINC000033259411 523102263 /nfs/dbraw/zinc/10/22/63/523102263.db2.gz YVDUHCUUIUPVGX-NRFANRHFSA-N 1 0 474.609 2.809 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970738 523166508 /nfs/dbraw/zinc/16/65/08/523166508.db2.gz VGHKRNPYHKISMN-HXUWFJFHSA-N 1 0 450.587 2.970 50 0 JFAARO CCn1cc(C[NH+]2CCC([C@]3(C)NC(=O)N(Cc4cccc(OC)c4OC)C3=O)CC2)c(C)n1 ZINC000012203911 523369837 /nfs/dbraw/zinc/36/98/37/523369837.db2.gz OIOPWJWOVIHNFH-VWLOTQADSA-N 1 0 469.586 2.951 50 0 JFAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC000014538807 523612372 /nfs/dbraw/zinc/61/23/72/523612372.db2.gz KDTHQICTZDTOKF-MRXNPFEDSA-N 1 0 452.477 2.921 50 0 JFAARO CN1C(=O)C[C@](CC(=O)N2CCC([NH+]3CCOCC3)CC2)(c2ccc(-c3ccccc3)cc2)C1=O ZINC000014879949 523711611 /nfs/dbraw/zinc/71/16/11/523711611.db2.gz DOGPZFHJBSHIGM-NDEPHWFRSA-N 1 0 475.589 2.693 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014745374 523802156 /nfs/dbraw/zinc/80/21/56/523802156.db2.gz MZQRFNHDXAWVKD-UHFFFAOYSA-N 1 0 494.592 2.731 50 0 JFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(COC)o1)CC2 ZINC000014747891 523802179 /nfs/dbraw/zinc/80/21/79/523802179.db2.gz MZEXSBRKYUZURZ-UHFFFAOYSA-N 1 0 471.554 2.880 50 0 JFAARO COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)C1=O ZINC000014961266 523805003 /nfs/dbraw/zinc/80/50/03/523805003.db2.gz ROHJQYFKPCHGJF-MHZLTWQESA-N 1 0 497.592 2.801 50 0 JFAARO C[NH+]1CCN(CCCN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021810684 523895091 /nfs/dbraw/zinc/89/50/91/523895091.db2.gz RNZBFEHHUXJGOX-VWLOTQADSA-N 1 0 455.603 2.535 50 0 JFAARO CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)cc1 ZINC000045974837 524011184 /nfs/dbraw/zinc/01/11/84/524011184.db2.gz IXRMJRRWEXGWBJ-UHFFFAOYSA-N 1 0 480.428 2.634 50 0 JFAARO COc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(Cl)s2)CC3)cc1 ZINC000065074780 524068978 /nfs/dbraw/zinc/06/89/78/524068978.db2.gz XDJBJXWOTDTHPQ-UHFFFAOYSA-N 1 0 469.032 2.725 50 0 biogenic JFAARO C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[NH+]4CCCCCC4)c3c2)C1 ZINC000008662066 524104666 /nfs/dbraw/zinc/10/46/66/524104666.db2.gz BRGHVKHLQWITFB-IBGZPJMESA-N 1 0 488.654 2.945 50 0 JFAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[NH+]3CCCCCC3)c2c1 ZINC000008812086 524116991 /nfs/dbraw/zinc/11/69/91/524116991.db2.gz VHTNJQUMPPKEED-GOSISDBHSA-N 1 0 474.627 2.697 50 0 JFAARO Cc1cc(C)c(C(=O)N2CCC([C@@]3(Cc4cccc(F)c4)NC(=O)N(CC[NH+](C)C)C3=O)CC2)[nH]1 ZINC000014956950 524222741 /nfs/dbraw/zinc/22/27/41/524222741.db2.gz VLHBCOIJKHRJBT-AREMUKBSSA-N 1 0 483.588 2.718 50 0 JFAARO COc1ccc(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)c(OC)c1 ZINC000020504057 524399773 /nfs/dbraw/zinc/39/97/73/524399773.db2.gz VCMMBQMEKYRBMK-HEHNFIMWSA-N 1 0 451.523 2.544 50 0 JFAARO COc1ccccc1C[NH+]1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 ZINC000012204485 524449909 /nfs/dbraw/zinc/44/99/09/524449909.db2.gz PNLXDXLEGHIFOV-LVXARBLLSA-N 1 0 464.566 2.929 50 0 JFAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CCC(N)=O)[NH2+][C@]23c2cc(Cl)cc(C)c2NC3=O)cc1 ZINC000015973260 524598631 /nfs/dbraw/zinc/59/86/31/524598631.db2.gz DNDWTOVLINBWLH-KFCXZAFISA-N 1 0 456.930 2.687 50 0 JFAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[NH+]1CCCC1 ZINC000015690934 524732564 /nfs/dbraw/zinc/73/25/64/524732564.db2.gz YPWRSTIZKYBPAH-JOCHJYFZSA-N 1 0 487.622 2.591 50 0 JFAARO COc1ccc([C@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000014246486 525356273 /nfs/dbraw/zinc/35/62/73/525356273.db2.gz DSFMIKYFBLXKCQ-RPWUZVMVSA-N 1 0 487.622 2.810 50 0 JFAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)c(C)c1 ZINC000045974832 525502562 /nfs/dbraw/zinc/50/25/62/525502562.db2.gz JPLRJLDQNXWCGM-UHFFFAOYSA-N 1 0 480.428 2.689 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccncc3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033852 525593836 /nfs/dbraw/zinc/59/38/36/525593836.db2.gz GNZBMCUNOPMWKC-UHFFFAOYSA-N 1 0 479.606 2.839 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033826 525594270 /nfs/dbraw/zinc/59/42/70/525594270.db2.gz SYIHRSYCXHTPKJ-UHFFFAOYSA-N 1 0 479.606 2.839 50 0 JFAARO Cc1ccsc1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000014994058 525820979 /nfs/dbraw/zinc/82/09/79/525820979.db2.gz CFXSGJPNIBSZHX-NRFANRHFSA-N 1 0 470.639 2.604 50 0 JFAARO Cc1c(N2CCC(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258799 525823108 /nfs/dbraw/zinc/82/31/08/525823108.db2.gz FCULCKYOPXDNQF-UHFFFAOYSA-N 1 0 495.668 2.832 50 0 JFAARO COc1cccc(CNC(=O)COc2ccc(N3CC[NH+](C4CCCCC4)CC3)nn2)c1OC ZINC000014882921 525971857 /nfs/dbraw/zinc/97/18/57/525971857.db2.gz XRNODIMQIVFINR-UHFFFAOYSA-N 1 0 469.586 2.644 50 0 JFAARO Cc1c2cnn(CC(=O)NCC[NH+]3CCCCCC3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417376 525993941 /nfs/dbraw/zinc/99/39/41/525993941.db2.gz OWJHRBGAISFNSR-UHFFFAOYSA-N 1 0 453.562 2.994 50 0 JFAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411172 526238410 /nfs/dbraw/zinc/23/84/10/526238410.db2.gz OSFUKEIVCIPOJC-CGXZNYDMSA-N 1 0 468.594 2.818 50 0 biogenic JFAARO COc1cccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccccc3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033904 526243887 /nfs/dbraw/zinc/24/38/87/526243887.db2.gz YAQXEPVBVIFIQA-UHFFFAOYSA-N 1 0 480.590 2.836 50 0 JFAARO O=C(CCC(=O)N1CC[NH+](C2CCCCC2)CC1)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955465 526379974 /nfs/dbraw/zinc/37/99/74/526379974.db2.gz GPXSMBDGKXRZSW-UHFFFAOYSA-N 1 0 470.643 2.597 50 0 JFAARO Cc1csc(SCC(=O)N2CCc3c(cnc(C)c3CNC(=O)C[NH+]3CCCCC3)C2)n1 ZINC000014979760 526397668 /nfs/dbraw/zinc/39/76/68/526397668.db2.gz XTRCAYRZECAUDA-UHFFFAOYSA-N 1 0 473.668 2.934 50 0 JFAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000033058746 526457716 /nfs/dbraw/zinc/45/77/16/526457716.db2.gz KVINGZMRXCMPSQ-MDZDMXLPSA-N 1 0 460.600 2.540 50 0 JFAARO O=C(NCc1ccccc1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033033867 526737719 /nfs/dbraw/zinc/73/77/19/526737719.db2.gz LCBYKUJYGUTMKQ-UHFFFAOYSA-N 1 0 450.564 2.827 50 0 JFAARO Cn1c(=O)c(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966891 527022835 /nfs/dbraw/zinc/02/28/35/527022835.db2.gz YVAAHSHVHFZPRO-UHFFFAOYSA-N 1 0 453.930 2.823 50 0 JFAARO Cn1c2ccccc2n(CC(=O)NCCC[N@H+](CCc2ccccc2)Cc2ccco2)c(=O)c1=O ZINC000033068457 527110765 /nfs/dbraw/zinc/11/07/65/527110765.db2.gz QQNXLKXDMCOAIE-UHFFFAOYSA-N 1 0 474.561 2.544 50 0 JFAARO Cn1c2ccccc2n(CCC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(=O)c1=O ZINC000033272397 527112451 /nfs/dbraw/zinc/11/24/51/527112451.db2.gz HQMQPXAHIKSYGM-UHFFFAOYSA-N 1 0 468.985 2.772 50 0 JFAARO Cn1c2ccccc2nc(N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1=O ZINC000022583288 527113704 /nfs/dbraw/zinc/11/37/04/527113704.db2.gz AOLSNGCHGIYEGH-UHFFFAOYSA-N 1 0 459.594 2.931 50 0 JFAARO Cn1c2sc(C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2c(=O)n(C)c1=O ZINC000064950537 527127065 /nfs/dbraw/zinc/12/70/65/527127065.db2.gz HKZCSMJMJWHSKG-UHFFFAOYSA-N 1 0 460.987 2.594 50 0 JFAARO Cc1nn(CC(=O)NCC[NH+]2CCCCC2)c(=O)c2c1nn(-c1ccc(Cl)cc1)c2-n1cccc1 ZINC000021647748 527701929 /nfs/dbraw/zinc/70/19/29/527701929.db2.gz IAHNOEUZQAQZDG-UHFFFAOYSA-N 1 0 493.999 2.937 50 0 JFAARO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000008955389 554836783 /nfs/dbraw/zinc/83/67/83/554836783.db2.gz RNJCIHBIXZBHLT-UHFFFAOYSA-N 1 0 461.584 2.851 50 0 JFAARO Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1C ZINC000009156909 554946458 /nfs/dbraw/zinc/94/64/58/554946458.db2.gz QLSPQHPKKNAUIQ-QGZVFWFLSA-N 1 0 450.587 2.787 50 0 JFAARO Cn1c2nc(NC[C@H]3CCC[C@H](C[NH3+])C3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009191449 554963718 /nfs/dbraw/zinc/96/37/18/554963718.db2.gz XPTRYQLYDHVHAQ-KBPBESRZSA-N 1 0 479.412 2.966 50 0 JFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)C1 ZINC000009211299 554981284 /nfs/dbraw/zinc/98/12/84/554981284.db2.gz YDVMFVPAOKLLCG-KDURUIRLSA-N 1 0 453.635 2.863 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3c4ccccc4c4nc(=O)cc(C)n43)CC2)c1 ZINC000009251448 555025181 /nfs/dbraw/zinc/02/51/81/555025181.db2.gz NFGIAKMPWMVPHL-UHFFFAOYSA-N 1 0 486.620 2.903 50 0 JFAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)CCO2 ZINC000009251937 555026297 /nfs/dbraw/zinc/02/62/97/555026297.db2.gz HHORDZMABMOOMQ-UHFFFAOYSA-N 1 0 468.573 2.968 50 0 JFAARO COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)[NH+]2CCCC2)cc1 ZINC000009385585 555148680 /nfs/dbraw/zinc/14/86/80/555148680.db2.gz DUFMHASVZBZOIX-HXUWFJFHSA-N 1 0 454.600 2.967 50 0 JFAARO C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCCCC1 ZINC000009465821 555240891 /nfs/dbraw/zinc/24/08/91/555240891.db2.gz SKVHSQLXKHLMSI-UHFFFAOYSA-N 1 0 479.643 2.629 50 0 JFAARO CCC[NH+](CCC)CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000009692618 555420759 /nfs/dbraw/zinc/42/07/59/555420759.db2.gz OMSZJJFACBGKRV-HXUWFJFHSA-N 1 0 489.667 2.819 50 0 JFAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000009714445 555443494 /nfs/dbraw/zinc/44/34/94/555443494.db2.gz NYYRNTIWQKZFCQ-UHFFFAOYSA-N 1 0 465.385 2.701 50 0 JFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cc(OC)ccc3OC)nc1=O)CCC2 ZINC000009745476 555476660 /nfs/dbraw/zinc/47/66/60/555476660.db2.gz DNDMKYZFUMMDLG-UHFFFAOYSA-N 1 0 460.600 2.822 50 0 JFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cc(OC)cc(OC)c3)nc1=O)CCC2 ZINC000009745704 555477263 /nfs/dbraw/zinc/47/72/63/555477263.db2.gz ZKAJPXBNNYZMLX-UHFFFAOYSA-N 1 0 460.600 2.822 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019888792 555528811 /nfs/dbraw/zinc/52/88/11/555528811.db2.gz USDMRKREVOCWBY-UHFFFAOYSA-N 1 0 456.612 2.616 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009838106 555542686 /nfs/dbraw/zinc/54/26/86/555542686.db2.gz BGGLAPMIZVEBGC-LJQANCHMSA-N 1 0 499.662 2.873 50 0 JFAARO O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009993340 555588113 /nfs/dbraw/zinc/58/81/13/555588113.db2.gz SOLJEDCUTMYYFY-UHFFFAOYSA-N 1 0 456.550 2.954 50 0 JFAARO CC[NH+](CC)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2cc3c(cc2s1)OCO3 ZINC000010066864 555614022 /nfs/dbraw/zinc/61/40/22/555614022.db2.gz UJEMRQJONVAEAR-UHFFFAOYSA-N 1 0 480.546 2.996 50 0 JFAARO Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1 ZINC000010105078 555618346 /nfs/dbraw/zinc/61/83/46/555618346.db2.gz PNYZZQOYUXQIEP-LJQANCHMSA-N 1 0 450.587 2.787 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109003 555644324 /nfs/dbraw/zinc/64/43/24/555644324.db2.gz UCGNAQLAYWMPNH-LOSJGSFVSA-N 1 0 464.610 2.750 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000010215257 555648783 /nfs/dbraw/zinc/64/87/83/555648783.db2.gz OCOXNKGYWBCXGC-UHFFFAOYSA-N 1 0 470.639 2.926 50 0 JFAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000020114296 555652078 /nfs/dbraw/zinc/65/20/78/555652078.db2.gz RRMDOQYJSUVKBK-DQEYMECFSA-N 1 0 498.599 2.507 50 0 JFAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114988 555652721 /nfs/dbraw/zinc/65/27/21/555652721.db2.gz DMWNXKSTYDQFGT-QFIPXVFZSA-N 1 0 465.623 2.573 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020138792 555661971 /nfs/dbraw/zinc/66/19/71/555661971.db2.gz XURIQUSOSWSFAH-UHFFFAOYSA-N 1 0 451.615 2.907 50 0 JFAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000014093156 555685617 /nfs/dbraw/zinc/68/56/17/555685617.db2.gz WPIKFKUBRNMTPY-UHFFFAOYSA-N 1 0 470.595 2.780 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000020241126 555736538 /nfs/dbraw/zinc/73/65/38/555736538.db2.gz WNXZERLGVDOBMV-UHFFFAOYSA-N 1 0 462.616 2.654 50 0 JFAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000014242771 555744846 /nfs/dbraw/zinc/74/48/46/555744846.db2.gz IQNNHULBUXKMSC-UHFFFAOYSA-N 1 0 463.625 2.685 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283663 555753103 /nfs/dbraw/zinc/75/31/03/555753103.db2.gz SZYPJJJESAFUIG-DEOSSOPVSA-N 1 0 494.592 2.693 50 0 JFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556947 555808566 /nfs/dbraw/zinc/80/85/66/555808566.db2.gz HNONIQNHQYIOTR-JOCHJYFZSA-N 1 0 473.625 2.944 50 0 JFAARO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCC[N@@H+]1CCc3ccccc3C1)nc2C ZINC000020563118 555814774 /nfs/dbraw/zinc/81/47/74/555814774.db2.gz OFVCQDGZFAYGNO-UHFFFAOYSA-N 1 0 470.577 2.764 50 0 JFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563105 555814814 /nfs/dbraw/zinc/81/48/14/555814814.db2.gz BOFUDCZIYXBYPW-FQEVSTJZSA-N 1 0 450.587 2.970 50 0 JFAARO Cc1cccc(N2CC[NH+]([C@@H]3CCc4c(c(C(=O)N5CCSCC5)nn4C)C3)CC2)c1C ZINC000014530425 555817053 /nfs/dbraw/zinc/81/70/53/555817053.db2.gz PXRBSCIAUTTWNT-HXUWFJFHSA-N 1 0 453.656 2.905 50 0 JFAARO Cc1cccc(N2CC[NH+]([C@H]3CCc4c(c(C(=O)N5CCSCC5)nn4C)C3)CC2)c1C ZINC000014530426 555817377 /nfs/dbraw/zinc/81/73/77/555817377.db2.gz PXRBSCIAUTTWNT-FQEVSTJZSA-N 1 0 453.656 2.905 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565083 555819440 /nfs/dbraw/zinc/81/94/40/555819440.db2.gz FKOZVRBRUASVEW-UHFFFAOYSA-N 1 0 454.600 2.593 50 0 JFAARO O=C(c1cc2ncccn2n1)N1CCc2c(cc(-c3ccncc3)c(=O)n2CC[NH+]2CCCCC2)C1 ZINC000014534511 555823401 /nfs/dbraw/zinc/82/34/01/555823401.db2.gz ZSXOTKVICJACRE-UHFFFAOYSA-N 1 0 483.576 2.637 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C(=O)C3=CCCCC3)CC2)C1=O ZINC000011789111 555823873 /nfs/dbraw/zinc/82/38/73/555823873.db2.gz DUVAPMJAVPLTQB-SANMLTNESA-N 1 0 470.589 2.959 50 0 JFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 ZINC000011839143 555832166 /nfs/dbraw/zinc/83/21/66/555832166.db2.gz FQVLELOTJWUMOB-SLMGFHIASA-N 1 0 453.587 2.708 50 0 JFAARO COc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N[C@H]4CCCCNC4=O)cc3)CC2)cc1 ZINC000011839241 555832585 /nfs/dbraw/zinc/83/25/85/555832585.db2.gz KDIXVPCESCNYHB-VWLOTQADSA-N 1 0 464.610 2.895 50 0 JFAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000014542111 555832672 /nfs/dbraw/zinc/83/26/72/555832672.db2.gz UZKBDFQGWLFBLI-UHFFFAOYSA-N 1 0 479.577 2.737 50 0 JFAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@H](c1ccncc1)N1CCOCC1 ZINC000015001757 555846818 /nfs/dbraw/zinc/84/68/18/555846818.db2.gz CLDAADIEVUILHZ-ISKFKSNPSA-N 1 0 456.562 2.644 50 0 JFAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000021581093 555852995 /nfs/dbraw/zinc/85/29/95/555852995.db2.gz NXDGIOXVBCDSTR-NRFANRHFSA-N 1 0 461.559 2.504 50 0 JFAARO CN(CCc1ccccc1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011909958 555856975 /nfs/dbraw/zinc/85/69/75/555856975.db2.gz UPOLRYGUJKGKKE-VWLOTQADSA-N 1 0 455.986 2.990 50 0 JFAARO COC(=O)c1ccc(C[NH+]2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)cc1 ZINC000011913006 555862373 /nfs/dbraw/zinc/86/23/73/555862373.db2.gz MKGVVCYPJIZJKY-CUNXSJBXSA-N 1 0 492.576 2.707 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1cccs1 ZINC000022069681 555869923 /nfs/dbraw/zinc/86/99/23/555869923.db2.gz GKTJVAAFPCBKJC-IBGZPJMESA-N 1 0 493.651 2.729 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCn3cnc4cc(OC)c(OC)cc4c3=O)cc2)CC1 ZINC000011952773 555870018 /nfs/dbraw/zinc/87/00/18/555870018.db2.gz ZRTVOYCHOQUARB-UHFFFAOYSA-N 1 0 479.581 2.975 50 0 JFAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)c1cccc3ccccc31)CC2 ZINC000011967279 555872487 /nfs/dbraw/zinc/87/24/87/555872487.db2.gz IHRCDNXPILFCTH-JOCHJYFZSA-N 1 0 462.598 2.895 50 0 JFAARO CN(CCO)C(=O)COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(c2nncn2C)CC1 ZINC000011967944 555872671 /nfs/dbraw/zinc/87/26/71/555872671.db2.gz RKYYLKZCXPPJSS-UHFFFAOYSA-N 1 0 463.582 2.691 50 0 JFAARO CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)C1=O ZINC000011997971 555880466 /nfs/dbraw/zinc/88/04/66/555880466.db2.gz ORNSBWDQICCDPE-NRFANRHFSA-N 1 0 491.635 2.505 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000011998622 555881450 /nfs/dbraw/zinc/88/14/50/555881450.db2.gz RSQOTEPCZCPEOJ-HSZRJFAPSA-N 1 0 485.606 2.965 50 0 JFAARO COc1ccccc1[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)[NH+]1CCCCC1 ZINC000011998680 555881463 /nfs/dbraw/zinc/88/14/63/555881463.db2.gz JXGVYPSRBALKHB-NRFANRHFSA-N 1 0 471.579 2.719 50 0 JFAARO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000012128458 555910948 /nfs/dbraw/zinc/91/09/48/555910948.db2.gz IXQBJMDYIJYJDS-OAQYLSRUSA-N 1 0 467.570 2.818 50 0 JFAARO Cc1occc1C(=O)N1CCC([C@@]2(Cc3cccc(F)c3)NC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000012134753 555913182 /nfs/dbraw/zinc/91/31/82/555913182.db2.gz NUIONDLWAXSYBI-RUZDIDTESA-N 1 0 470.545 2.674 50 0 JFAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000022383868 555928208 /nfs/dbraw/zinc/92/82/08/555928208.db2.gz XGYFLAFZDFDGAE-UHFFFAOYSA-N 1 0 473.595 2.954 50 0 JFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CCc3nnc4ccc(N5CCCCC5)nn43)C2)cc1 ZINC000015678890 555944452 /nfs/dbraw/zinc/94/44/52/555944452.db2.gz RRKUBBFUSTZEMZ-QFIPXVFZSA-N 1 0 461.614 2.994 50 0 JFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CCc3nnc4ccc(N5CCCCC5)nn43)C2)cc1 ZINC000015678891 555944562 /nfs/dbraw/zinc/94/45/62/555944562.db2.gz RRKUBBFUSTZEMZ-JOCHJYFZSA-N 1 0 461.614 2.994 50 0 JFAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376825 555964654 /nfs/dbraw/zinc/96/46/54/555964654.db2.gz HBMLYDDKHFLATP-UHFFFAOYSA-N 1 0 454.552 2.959 50 0 JFAARO Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000015727766 555966673 /nfs/dbraw/zinc/96/66/73/555966673.db2.gz DUFKXTFEJMJPCD-UHFFFAOYSA-N 1 0 492.624 2.927 50 0 JFAARO CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2)cc1 ZINC000022924481 555977030 /nfs/dbraw/zinc/97/70/30/555977030.db2.gz SEVWDSONVKQPTG-UHFFFAOYSA-N 1 0 486.638 2.740 50 0 JFAARO C=C1C(N2CCC(C(=O)NCC[NH+](CC)CC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732941 555977641 /nfs/dbraw/zinc/97/76/41/555977641.db2.gz IQTOXLJTRJPPHL-UHFFFAOYSA-N 1 0 460.644 2.946 50 0 JFAARO C=C1C(N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000015733041 555977937 /nfs/dbraw/zinc/97/79/37/555977937.db2.gz PPSWWRYBGXMDLY-UHFFFAOYSA-N 1 0 458.628 2.646 50 0 JFAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2ccc4c(c2)OCCO4)CC3)CC1 ZINC000012451019 555980834 /nfs/dbraw/zinc/98/08/34/555980834.db2.gz NHGIQOCPDUXMCB-HXUWFJFHSA-N 1 0 457.571 2.797 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000022937092 555989841 /nfs/dbraw/zinc/98/98/41/555989841.db2.gz IFUVDEYFZBQUBL-UHFFFAOYSA-N 1 0 486.620 2.758 50 0 JFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3nc(CS(=O)(=O)c4ccccc4)no3)CC2)cc1 ZINC000015786775 556006474 /nfs/dbraw/zinc/00/64/74/556006474.db2.gz JXESDWMRIDAPAO-UHFFFAOYSA-N 1 0 468.579 2.994 50 0 JFAARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccnc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023203188 556030931 /nfs/dbraw/zinc/03/09/31/556030931.db2.gz GFMAPUXLFSDNFQ-AREMUKBSSA-N 1 0 471.605 2.682 50 0 JFAARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)cn2)CC1 ZINC000023318719 556040763 /nfs/dbraw/zinc/04/07/63/556040763.db2.gz BFLYFSLQSUFHIO-UHFFFAOYSA-N 1 0 451.958 2.627 50 0 JFAARO COc1cccc([C@H](CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)[NH+](C)C)c1 ZINC000023398012 556051351 /nfs/dbraw/zinc/05/13/51/556051351.db2.gz AIKWWJCMCMOAGL-SFHVURJKSA-N 1 0 491.518 2.787 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000012565779 556063289 /nfs/dbraw/zinc/06/32/89/556063289.db2.gz STNQKYDSOWEIOR-UHFFFAOYSA-N 1 0 472.611 2.795 50 0 JFAARO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[NH+]3CCCCCC3)c(C)o2)cc1OC ZINC000015944315 556080483 /nfs/dbraw/zinc/08/04/83/556080483.db2.gz DJJGOLUGIFUFTN-JGCGQSQUSA-N 1 0 463.600 2.908 50 0 JFAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015957724 556089514 /nfs/dbraw/zinc/08/95/14/556089514.db2.gz GLGWEQBGDVIQEH-IMIIHFCZSA-N 1 0 459.502 2.606 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015958209 556089862 /nfs/dbraw/zinc/08/98/62/556089862.db2.gz CSXVWZJYBOIYDK-HGXGVQFASA-N 1 0 467.481 2.583 50 0 biogenic JFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015958196 556089917 /nfs/dbraw/zinc/08/99/17/556089917.db2.gz KFBIRVXIQRCULY-ZSSMMQHUSA-N 1 0 483.524 2.564 50 0 biogenic JFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000015958877 556090800 /nfs/dbraw/zinc/09/08/00/556090800.db2.gz YNRGQUGLKQYCKS-IMBSWCNGSA-N 1 0 467.525 2.859 50 0 biogenic JFAARO Cc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959435 556091520 /nfs/dbraw/zinc/09/15/20/556091520.db2.gz HUFTWKFMYFEESC-GBXYDCMPSA-N 1 0 481.552 2.906 50 0 biogenic JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000016022249 556114744 /nfs/dbraw/zinc/11/47/44/556114744.db2.gz IOCAYCTUXKSDNB-HGXGVQFASA-N 1 0 495.551 2.852 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024631 556115285 /nfs/dbraw/zinc/11/52/85/556115285.db2.gz YUKOQZBTSJQSDD-QOIOWGMHSA-N 1 0 466.401 2.723 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016025128 556116132 /nfs/dbraw/zinc/11/61/32/556116132.db2.gz KMFKLIKUWOSGJH-VKDGWMQASA-N 1 0 498.377 2.918 50 0 JFAARO CC1CC[NH+]([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c2cccs2)CC1 ZINC000012936661 556151400 /nfs/dbraw/zinc/15/14/00/556151400.db2.gz OWEXSRDOGVKXAV-JOCHJYFZSA-N 1 0 490.695 2.887 50 0 JFAARO CCCC[NH+]1CCN(C(=O)c2cn(CCCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000016839168 556163293 /nfs/dbraw/zinc/16/32/93/556163293.db2.gz BLTOEDVNYGKJDU-UHFFFAOYSA-N 1 0 451.571 2.733 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000013007444 556199096 /nfs/dbraw/zinc/19/90/96/556199096.db2.gz VSOUVTHJARQIOZ-LJQANCHMSA-N 1 0 480.565 2.521 50 0 JFAARO COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1C ZINC000017010337 556200067 /nfs/dbraw/zinc/20/00/67/556200067.db2.gz MUFGZKKSLGOOQI-UHFFFAOYSA-N 1 0 459.616 2.912 50 0 JFAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3I)CC2)[nH+]1 ZINC000017012597 556202359 /nfs/dbraw/zinc/20/23/59/556202359.db2.gz VIOXAPSLVSPJAW-UHFFFAOYSA-N 1 0 477.350 2.952 50 0 JFAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)[nH+]1 ZINC000017012792 556202683 /nfs/dbraw/zinc/20/26/83/556202683.db2.gz KSJXHLYXKJJLMO-UHFFFAOYSA-N 1 0 495.605 2.925 50 0 JFAARO COc1ccc([C@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025778070 556233519 /nfs/dbraw/zinc/23/35/19/556233519.db2.gz MDXLUAMCAFWFFU-HSZRJFAPSA-N 1 0 463.582 2.695 50 0 JFAARO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(OC)cc3OC)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000026772127 556261228 /nfs/dbraw/zinc/26/12/28/556261228.db2.gz QIPGXDQOEMTTFT-GGISIDAXSA-N 1 0 461.518 2.549 50 0 biogenic JFAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369824 556346542 /nfs/dbraw/zinc/34/65/42/556346542.db2.gz OSFUKEIVCIPOJC-YRWVYYTMSA-N 1 0 468.594 2.818 50 0 biogenic JFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 ZINC000013128431 556347716 /nfs/dbraw/zinc/34/77/16/556347716.db2.gz VHCVEANVMVBMGN-JOCHJYFZSA-N 1 0 487.622 2.668 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1NC(C)=O ZINC000031583504 556399814 /nfs/dbraw/zinc/39/98/14/556399814.db2.gz HEPSRVCZIXVIEH-HXUWFJFHSA-N 1 0 459.568 2.920 50 0 JFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)CC1 ZINC000032921830 556541354 /nfs/dbraw/zinc/54/13/54/556541354.db2.gz DMEWQJNVRHKVEE-XMMPIXPASA-N 1 0 468.667 2.992 50 0 JFAARO COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NCC[NH+]3CCCCC3)cc1)c2=O ZINC000032959307 556576071 /nfs/dbraw/zinc/57/60/71/556576071.db2.gz CMKFNJCFJWOWNB-UHFFFAOYSA-N 1 0 466.563 2.677 50 0 JFAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000056952737 569593404 /nfs/dbraw/zinc/59/34/04/569593404.db2.gz AVSMQJJYRZDFFU-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(Br)cc23)c1 ZINC000057099748 569594432 /nfs/dbraw/zinc/59/44/32/569594432.db2.gz XGURYEGZSFRVIY-IRQJKIPJSA-N 1 0 490.354 2.611 50 0 JFAARO CCOc1ccc([C@H]2NC(=O)N=C(CN3CCC([NH+]4CCCCC4)CC3)C2C(=O)OC)cc1 ZINC000057415340 569600545 /nfs/dbraw/zinc/60/05/45/569600545.db2.gz FVOUNNYKNQUKTP-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC[NH+]1CCCCC1 ZINC000032987552 569609519 /nfs/dbraw/zinc/60/95/19/569609519.db2.gz WUBFPZONRWTPJV-UHFFFAOYSA-N 1 0 451.980 2.953 50 0 JFAARO O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCC[NH+]1CCCCCC1 ZINC000032987555 569609587 /nfs/dbraw/zinc/60/95/87/569609587.db2.gz UPUKIZNYPGEIAE-UHFFFAOYSA-N 1 0 451.980 2.953 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032995226 569610152 /nfs/dbraw/zinc/61/01/52/569610152.db2.gz UVGUHFMHISHGQJ-UHFFFAOYSA-N 1 0 465.023 2.520 50 0 JFAARO Cc1nnc2ccc(N3CCC(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)CC3)nn12 ZINC000033009950 569616480 /nfs/dbraw/zinc/61/64/80/569616480.db2.gz JKOZTTFNOFUTMV-UHFFFAOYSA-N 1 0 497.047 2.631 50 0 in-vitro JFAARO Cc1nnc2ccc(N3CCC(C(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)CC3)nn12 ZINC000033009997 569616494 /nfs/dbraw/zinc/61/64/94/569616494.db2.gz DNDFNVATEKTRKF-UHFFFAOYSA-N 1 0 461.614 2.720 50 0 JFAARO CCC[NH+]1CCN(C(=O)[C@H](C)C2CCN(C(=O)c3[nH]c(C)c(C(=O)OCC)c3C)CC2)CC1 ZINC000033024167 569619765 /nfs/dbraw/zinc/61/97/65/569619765.db2.gz LQGIFBQZGPMEQN-QGZVFWFLSA-N 1 0 460.619 2.851 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)s2)cc1 ZINC000033024540 569619994 /nfs/dbraw/zinc/61/99/94/569619994.db2.gz MADMJMUYRHOZQH-UHFFFAOYSA-N 1 0 498.653 2.943 50 0 JFAARO O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1 ZINC000033024736 569620161 /nfs/dbraw/zinc/62/01/61/569620161.db2.gz XNXNWOFUHLHDTB-SFHVURJKSA-N 1 0 484.626 2.635 50 0 JFAARO CC1CC[NH+](CCCNC(=O)CCCc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)CC1 ZINC000064591402 569621946 /nfs/dbraw/zinc/62/19/46/569621946.db2.gz IQZVOOVSDSNPFM-UHFFFAOYSA-N 1 0 454.550 2.580 50 0 JFAARO CCn1c2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835992 569636745 /nfs/dbraw/zinc/63/67/45/569636745.db2.gz WIMXATKMJZSWLK-UHFFFAOYSA-N 1 0 485.544 2.733 50 0 JFAARO Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)n1C ZINC000064922810 569646140 /nfs/dbraw/zinc/64/61/40/569646140.db2.gz ILDZBHZDWUSAEP-UHFFFAOYSA-N 1 0 450.649 2.845 50 0 JFAARO CN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025107 569650418 /nfs/dbraw/zinc/65/04/18/569650418.db2.gz GQJKFJDSFSPCAX-UHFFFAOYSA-N 1 0 483.569 2.703 50 0 JFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025280 569650570 /nfs/dbraw/zinc/65/05/70/569650570.db2.gz WLHBIENUSPMLLT-UHFFFAOYSA-N 1 0 459.616 2.729 50 0 JFAARO C[C@@H](C(=O)NCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000065062453 569655959 /nfs/dbraw/zinc/65/59/59/569655959.db2.gz RSPYOTHMWIOTSZ-CQSZACIVSA-N 1 0 478.478 2.759 50 0 JFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc(F)cc1 ZINC000065074707 569657287 /nfs/dbraw/zinc/65/72/87/569657287.db2.gz AFDXSPVJDHTATH-UHFFFAOYSA-N 1 0 450.967 2.794 50 0 biogenic JFAARO COc1cccc(N2CCN(c3nnc(C(=O)NCC[NH+]4CCCC4)c4ccccc43)CC2)c1 ZINC000034839535 569666793 /nfs/dbraw/zinc/66/67/93/569666793.db2.gz MOQTVSWPGNZTPR-UHFFFAOYSA-N 1 0 460.582 2.791 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1nc(CCS(=O)(=O)c2ccccc2)no1 ZINC000065117271 569667216 /nfs/dbraw/zinc/66/72/16/569667216.db2.gz PCHVLTVYAAMIMR-UHFFFAOYSA-N 1 0 486.569 2.867 50 0 JFAARO C[N@H+](CCNC(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)C1CCCCC1 ZINC000065314156 569672305 /nfs/dbraw/zinc/67/23/05/569672305.db2.gz MWGDWDPCVDASNW-QFIPXVFZSA-N 1 0 451.615 2.889 50 0 JFAARO C[N@H+](CCNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)C1CCCCC1 ZINC000065314155 569672310 /nfs/dbraw/zinc/67/23/10/569672310.db2.gz MWGDWDPCVDASNW-JOCHJYFZSA-N 1 0 451.615 2.889 50 0 JFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287442 569684520 /nfs/dbraw/zinc/68/45/20/569684520.db2.gz KFGHLGWIFBPRBL-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)c1 ZINC000068821353 569692168 /nfs/dbraw/zinc/69/21/68/569692168.db2.gz JMKLGMXMYXMIFA-QFIPXVFZSA-N 1 0 490.695 2.928 50 0 JFAARO CCCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068832569 569692420 /nfs/dbraw/zinc/69/24/20/569692420.db2.gz SAUIGLCLUQXKFC-PKTZIBPZSA-N 1 0 487.670 2.866 50 0 JFAARO CCC[NH+]1CCN(C(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000035445948 569695861 /nfs/dbraw/zinc/69/58/61/569695861.db2.gz MVATYKABFKKMOY-QHCPKHFHSA-N 1 0 481.641 2.572 50 0 JFAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2C)c1 ZINC000035446563 569695961 /nfs/dbraw/zinc/69/59/61/569695961.db2.gz PKHNJWLWKLVVAV-UHFFFAOYSA-N 1 0 454.596 2.823 50 0 JFAARO CCn1c2nnc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000035528451 569699770 /nfs/dbraw/zinc/69/97/70/569699770.db2.gz TZEWKEGDXVQENM-UHFFFAOYSA-N 1 0 464.595 2.839 50 0 JFAARO CC[NH+]1CCN(c2cc(CNC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)ccn2)CC1 ZINC000078718282 569706397 /nfs/dbraw/zinc/70/63/97/569706397.db2.gz BDCXNEFWWUCUHD-UHFFFAOYSA-N 1 0 464.614 2.652 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)CC1 ZINC000085649133 569712208 /nfs/dbraw/zinc/71/22/08/569712208.db2.gz HZJRSFQRWUCVBI-UHFFFAOYSA-N 1 0 450.631 2.812 50 0 JFAARO Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)NCC[NH+]3CCC(C)CC3)c2)ccc1=O ZINC000085652079 569713878 /nfs/dbraw/zinc/71/38/78/569713878.db2.gz FNVHOBUAJASKMG-UHFFFAOYSA-N 1 0 485.610 2.823 50 0 JFAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035843158 569714129 /nfs/dbraw/zinc/71/41/29/569714129.db2.gz ZAXCYTAEYWYOIT-CQBMSCNUSA-N 1 0 493.585 2.997 50 0 JFAARO O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000085878000 569715993 /nfs/dbraw/zinc/71/59/93/569715993.db2.gz LOPISFWNHXCHMX-PKOBYXMFSA-N 1 0 457.962 2.530 50 0 biogenic JFAARO NC(=O)c1ccc(CNC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000089779541 569719757 /nfs/dbraw/zinc/71/97/57/569719757.db2.gz JPTXBSOMFMSDSB-UHFFFAOYSA-N 1 0 463.504 2.816 50 0 JFAARO C[C@H]1CN(c2ccc(C(=O)Nc3cccc(C[NH+]4CCC(C(N)=O)CC4)c3)cn2)C[C@H](C)O1 ZINC000095360825 569722740 /nfs/dbraw/zinc/72/27/40/569722740.db2.gz ZMRGJGIOFIEAKO-ROUUACIJSA-N 1 0 451.571 2.645 50 0 JFAARO O=C(NCCCN1CCOCC1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894132 569722863 /nfs/dbraw/zinc/72/28/63/569722863.db2.gz RMXIJQFKDLQBCY-AOYPEHQESA-N 1 0 466.601 2.527 50 0 JFAARO O=C(CCC1CCCC1)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926322 569729558 /nfs/dbraw/zinc/72/95/58/569729558.db2.gz DANASGOMQMPEFS-UHFFFAOYSA-N 1 0 492.668 2.707 50 0 JFAARO COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N2CC[NH2+]CC2)cc1OC ZINC000096562278 569741109 /nfs/dbraw/zinc/74/11/09/569741109.db2.gz LCXRARWMVWIFSQ-QGOAFFKASA-N 1 0 474.355 2.669 50 0 JFAARO CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1 ZINC000096564417 569741293 /nfs/dbraw/zinc/74/12/93/569741293.db2.gz HROLDRCDVDWDPH-LJQANCHMSA-N 1 0 477.606 2.563 50 0 JFAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249737 569757963 /nfs/dbraw/zinc/75/79/63/569757963.db2.gz LHDDXPFSFBAXCS-SFTDATJTSA-N 1 0 463.550 2.696 50 0 JFAARO CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]2CCCC[C@H]12 ZINC000036553481 569776516 /nfs/dbraw/zinc/77/65/16/569776516.db2.gz DFHQULLQMGVPFE-OLMNPRSZSA-N 1 0 457.040 2.649 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000036648974 569779733 /nfs/dbraw/zinc/77/97/33/569779733.db2.gz WCMGKZZQJMHYCG-SANMLTNESA-N 1 0 476.581 3.092 50 0 JFAARO COc1ccc(CCN2C[C@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2=O)cc1OC ZINC000036717823 569780465 /nfs/dbraw/zinc/78/04/65/569780465.db2.gz YESNFLHOLVIHBI-JOCHJYFZSA-N 1 0 453.583 2.733 50 0 JFAARO CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000037006557 569781029 /nfs/dbraw/zinc/78/10/29/569781029.db2.gz XDYNHQRNRACRRS-NRFANRHFSA-N 1 0 488.629 3.000 50 0 JFAARO COc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2C(=O)NCC[NH+](C)C)cc1OC ZINC000037435395 569789951 /nfs/dbraw/zinc/78/99/51/569789951.db2.gz OYMFBWBTPGFEBZ-LCUIJRPUSA-N 1 0 468.579 2.648 50 0 JFAARO COc1cccc(C(=O)/N=c2\sc(C)cn2Cc2ccccc2C(=O)NCC[NH+](C)C)c1 ZINC000037436081 569790034 /nfs/dbraw/zinc/79/00/34/569790034.db2.gz AEORAKZIOPVBEW-LCUIJRPUSA-N 1 0 452.580 2.947 50 0 JFAARO CC[NH+](CC)CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21 ZINC000037512171 569792058 /nfs/dbraw/zinc/79/20/58/569792058.db2.gz WSNOLECJTXUPTO-UHFFFAOYSA-N 1 0 467.566 2.912 50 0 JFAARO C[NH+](C)CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037512492 569792173 /nfs/dbraw/zinc/79/21/73/569792173.db2.gz XRFZAEWMTBLWCL-UHFFFAOYSA-N 1 0 473.957 2.785 50 0 JFAARO COc1cc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(CC[NH+](C)C)C(=O)[C@@H]42)ccc1OCc1ccccc1 ZINC000101340912 569793565 /nfs/dbraw/zinc/79/35/65/569793565.db2.gz NLQCZZGAJSPYQK-LLXQMIMBSA-N 1 0 489.572 2.806 50 0 JFAARO COc1ccc(N2C(=O)c3ccccc3/C(=C/NCCC[NH+]3CCOCC3)C2=O)cc1OC ZINC000102305493 569812254 /nfs/dbraw/zinc/81/22/54/569812254.db2.gz YGMRFBFTRQCLMX-FXBPSFAMSA-N 1 0 451.523 2.544 50 0 JFAARO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450545 569828508 /nfs/dbraw/zinc/82/85/08/569828508.db2.gz AGDGOXIGKRQDMW-CQSZACIVSA-N 1 0 470.433 2.901 50 0 JFAARO O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCCC[NH+]1CCCCCC1 ZINC000046153504 569845238 /nfs/dbraw/zinc/84/52/38/569845238.db2.gz AVJCUZMVWSBCKA-UHFFFAOYSA-N 1 0 494.434 2.508 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)C2)CC1 ZINC000049421233 569846981 /nfs/dbraw/zinc/84/69/81/569846981.db2.gz SAABGSJOLSDXCY-FQEVSTJZSA-N 1 0 494.665 2.622 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000049522495 569848270 /nfs/dbraw/zinc/84/82/70/569848270.db2.gz CPTYYLKZZURVRV-UHFFFAOYSA-N 1 0 452.580 2.550 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@H](O)COC ZINC000105003047 569849258 /nfs/dbraw/zinc/84/92/58/569849258.db2.gz SWKOKIGVCWQFIP-SIKLNZKXSA-N 1 0 462.612 2.599 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000106615588 569854371 /nfs/dbraw/zinc/85/43/71/569854371.db2.gz NVGDSRQUOXYCCK-IERDGZPVSA-N 1 0 459.543 2.532 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000106615434 569854451 /nfs/dbraw/zinc/85/44/51/569854451.db2.gz BOBVNJRGZDPLJE-HNAYVOBHSA-N 1 0 494.386 2.895 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000226945582 570039542 /nfs/dbraw/zinc/03/95/42/570039542.db2.gz YFOINETTYTXGJA-VGOFRKELSA-N 1 0 489.569 2.540 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000241965735 570053464 /nfs/dbraw/zinc/05/34/64/570053464.db2.gz UVFOIWQBINBUDZ-BWAGFHJFSA-N 1 0 493.670 2.968 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000245224940 570054850 /nfs/dbraw/zinc/05/48/50/570054850.db2.gz IMGRHYGUGBKSGT-QMMLZNLJSA-N 1 0 460.600 2.644 50 0 JFAARO COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)CC1CC1 ZINC000245279461 570061538 /nfs/dbraw/zinc/06/15/38/570061538.db2.gz FVACSDANNDQYAH-AUSIDOKSSA-N 1 0 474.623 2.981 50 0 JFAARO COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)CC1CC1 ZINC000245279464 570061609 /nfs/dbraw/zinc/06/16/09/570061609.db2.gz FVACSDANNDQYAH-WMZHIEFXSA-N 1 0 474.623 2.981 50 0 JFAARO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C1CC1 ZINC000245280767 570061891 /nfs/dbraw/zinc/06/18/91/570061891.db2.gz SMIIAZWUBZOTRY-AZUAARDMSA-N 1 0 460.596 2.733 50 0 JFAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000247801566 570069567 /nfs/dbraw/zinc/06/95/67/570069567.db2.gz VYTMIHRAVMYCEC-RTWAWAEBSA-N 1 0 490.670 2.758 50 0 JFAARO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O ZINC000252458441 570081103 /nfs/dbraw/zinc/08/11/03/570081103.db2.gz IGEINUXKIDZWTK-HUTRQKEOSA-N 1 0 458.559 2.794 50 0 JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263586140 570171579 /nfs/dbraw/zinc/17/15/79/570171579.db2.gz QOEFAUQEHOMKAN-QSHYMPABSA-N 1 0 457.615 2.954 50 0 biogenic JFAARO CCOC(=O)c1ccc(N2C[C@H](C(=O)N(CCOC)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000263586432 570171819 /nfs/dbraw/zinc/17/18/19/570171819.db2.gz ULLLDNGZZNDCTG-WMTXJRDZSA-N 1 0 485.625 2.956 50 0 biogenic JFAARO Cc1cccc(N2CCN(C(=O)C[C@]3(c4cccc(F)c4)CC(=O)N(CC[NH+](C)C)C3=O)CC2)c1C ZINC000299765325 570175198 /nfs/dbraw/zinc/17/51/98/570175198.db2.gz FUGLYWWZUBHIQI-MUUNZHRXSA-N 1 0 494.611 2.740 50 0 JFAARO CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC(C)(C)[NH2+]1 ZINC000003207389 194239163 /nfs/dbraw/zinc/23/91/63/194239163.db2.gz FDLHVZDBFYYZQW-UHFFFAOYSA-N 1 0 465.645 2.517 50 0 JFAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCC[NH+](C)C)cc1 ZINC000003670436 194358323 /nfs/dbraw/zinc/35/83/23/194358323.db2.gz WYGPGXFYKBSWFX-OAQYLSRUSA-N 1 0 461.360 2.887 50 0 JFAARO Cc1ccccc1CN1CCN(CC(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000004056924 194372857 /nfs/dbraw/zinc/37/28/57/194372857.db2.gz FRJMPBPWQRGDFW-UHFFFAOYSA-N 1 0 467.589 2.700 50 0 JFAARO Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(Cl)c3)CC2)cc1 ZINC000009714395 194910534 /nfs/dbraw/zinc/91/05/34/194910534.db2.gz KZKPKCHYILHBFA-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009742559 194936603 /nfs/dbraw/zinc/93/66/03/194936603.db2.gz SUUVXCLGCFGTHL-UHFFFAOYSA-N 1 0 457.596 2.542 50 0 JFAARO O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009909103 195020302 /nfs/dbraw/zinc/02/03/02/195020302.db2.gz JRHIRVGKAMKZLZ-UHFFFAOYSA-N 1 0 453.967 2.928 50 0 JFAARO CCC[C@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 ZINC000012684685 195085568 /nfs/dbraw/zinc/08/55/68/195085568.db2.gz JDVODWQPGNAQHT-FQEVSTJZSA-N 1 0 461.584 2.786 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000012752694 195106723 /nfs/dbraw/zinc/10/67/23/195106723.db2.gz YCCUXMLSFBKMJR-SANMLTNESA-N 1 0 467.566 2.818 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)[NH+]2CCCC2)cc1 ZINC000012752713 195106978 /nfs/dbraw/zinc/10/69/78/195106978.db2.gz VZGIHTJUZPLNOU-CPJSRVTESA-N 1 0 482.606 2.952 50 0 JFAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012758359 195109689 /nfs/dbraw/zinc/10/96/89/195109689.db2.gz DFJTXXNTHGRZKM-LJQANCHMSA-N 1 0 497.621 2.627 50 0 JFAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)c2)CC1 ZINC000012896422 195175375 /nfs/dbraw/zinc/17/53/75/195175375.db2.gz DBOXPZJKTUIBGP-UHFFFAOYSA-N 1 0 470.639 2.539 50 0 JFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020611335 195185187 /nfs/dbraw/zinc/18/51/87/195185187.db2.gz KFBIRVXIQRCULY-DSZDGCDSSA-N 1 0 483.524 2.564 50 0 biogenic JFAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2c1 ZINC000020686722 195205304 /nfs/dbraw/zinc/20/53/04/195205304.db2.gz UVWYKXSMHRSXEK-ROUUACIJSA-N 1 0 474.627 2.695 50 0 JFAARO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)c2cc(C)ccc2O1 ZINC000020902422 195241656 /nfs/dbraw/zinc/24/16/56/195241656.db2.gz XTYBIZLWOXYMEM-JOCHJYFZSA-N 1 0 471.646 2.558 50 0 JFAARO Cc1nn(CCC(=O)NC[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029342 195269409 /nfs/dbraw/zinc/26/94/09/195269409.db2.gz AKTZLBRACMKVFY-HSZRJFAPSA-N 1 0 487.670 2.621 50 0 JFAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c(C)c1 ZINC000021534367 195310482 /nfs/dbraw/zinc/31/04/82/195310482.db2.gz DOHYUHUTMSOATH-UHFFFAOYSA-N 1 0 450.004 2.970 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000021535253 195311214 /nfs/dbraw/zinc/31/12/14/195311214.db2.gz BVBMXTGLVDVYCB-UHFFFAOYSA-N 1 0 479.654 2.867 50 0 JFAARO C[N@H+](CCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)Cc1ccccc1 ZINC000021944365 195339872 /nfs/dbraw/zinc/33/98/72/195339872.db2.gz TZRIATCJIFPEHP-UHFFFAOYSA-N 1 0 470.573 2.850 50 0 JFAARO O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000021944188 195340092 /nfs/dbraw/zinc/34/00/92/195340092.db2.gz RBVCOHLSLPNGFG-UHFFFAOYSA-N 1 0 460.578 2.688 50 0 JFAARO COc1ccc(-n2cnnc2SCC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000058378500 195379006 /nfs/dbraw/zinc/37/90/06/195379006.db2.gz KTDHPPNLSLROTQ-HDICACEKSA-N 1 0 459.616 2.716 50 0 JFAARO Cc1ccccc1NC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000058175227 195371818 /nfs/dbraw/zinc/37/18/18/195371818.db2.gz DBQRWQVFMOTDKU-UHFFFAOYSA-N 1 0 470.639 2.546 50 0 JFAARO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000058179523 195372424 /nfs/dbraw/zinc/37/24/24/195372424.db2.gz SHOTWNMBNJDGTJ-UHFFFAOYSA-N 1 0 461.614 2.999 50 0 JFAARO COC(=O)c1nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2noc(C)c21 ZINC000058208996 195373587 /nfs/dbraw/zinc/37/35/87/195373587.db2.gz BBHILAFLQNLJRN-UHFFFAOYSA-N 1 0 473.533 2.844 50 0 JFAARO CCc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000058218339 195373979 /nfs/dbraw/zinc/37/39/79/195373979.db2.gz ZPDGJQGSBXZENL-RTBURBONSA-N 1 0 465.660 2.756 50 0 JFAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000059286678 195396774 /nfs/dbraw/zinc/39/67/74/195396774.db2.gz UWFHXOULNMTFNQ-PMACEKPBSA-N 1 0 481.641 2.642 50 0 JFAARO NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CCCC2 ZINC000062588285 195424585 /nfs/dbraw/zinc/42/45/85/195424585.db2.gz LEZWSUBLMRLIQW-LJQANCHMSA-N 1 0 496.681 2.594 50 0 JFAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014879100 519240160 /nfs/dbraw/zinc/24/01/60/519240160.db2.gz APXGRZWDFAAGGY-LJQANCHMSA-N 1 0 494.562 2.689 50 0 JFAARO CC(C)/C=C/C(=O)N1CCC([C@@]2(Cc3cccc(F)c3)NC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000014963064 519383838 /nfs/dbraw/zinc/38/38/38/519383838.db2.gz BBOLXIGTRTXODH-REJWQLKLSA-N 1 0 458.578 2.671 50 0 JFAARO CC(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc3c(c2)OCO3)cc1 ZINC000065074856 519440380 /nfs/dbraw/zinc/44/03/80/519440380.db2.gz DATCCNGGJHJDTC-UHFFFAOYSA-N 1 0 498.649 2.929 50 0 biogenic JFAARO CC(C)CC[C@]1(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012201442 519696124 /nfs/dbraw/zinc/69/61/24/519696124.db2.gz ULDRBGMICIEPHA-AREMUKBSSA-N 1 0 486.613 2.598 50 0 JFAARO CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2CC[NH+](C)CC2)CC1=O ZINC000014755091 519697736 /nfs/dbraw/zinc/69/77/36/519697736.db2.gz PMISPLGFPGUKGG-HXUWFJFHSA-N 1 0 471.520 2.891 50 0 JFAARO CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033033757 519717304 /nfs/dbraw/zinc/71/73/04/519717304.db2.gz ZASHIPDKKODFQO-UHFFFAOYSA-N 1 0 481.416 2.798 50 0 JFAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249820 519773799 /nfs/dbraw/zinc/77/37/99/519773799.db2.gz ZBQGPWRJNGYNBJ-YADHBBJMSA-N 1 0 459.587 2.945 50 0 JFAARO CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033698 519838740 /nfs/dbraw/zinc/83/87/40/519838740.db2.gz HZQGOGRFNQFHJJ-OAQYLSRUSA-N 1 0 486.638 2.929 50 0 JFAARO CCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)CC2)CC1 ZINC000033086631 519855452 /nfs/dbraw/zinc/85/54/52/519855452.db2.gz AVPHDYYUTIIJIJ-UHFFFAOYSA-N 1 0 496.033 2.653 50 0 JFAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)CC1 ZINC000021717931 519856628 /nfs/dbraw/zinc/85/66/28/519856628.db2.gz DOAHWKJKYJXZSK-SFHVURJKSA-N 1 0 496.033 2.653 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033060360 519858252 /nfs/dbraw/zinc/85/82/52/519858252.db2.gz SVHJJYGKMDGWJR-UHFFFAOYSA-N 1 0 450.996 2.591 50 0 JFAARO CCOC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036248949 520153233 /nfs/dbraw/zinc/15/32/33/520153233.db2.gz URQJAEQRJDULPA-JOCHJYFZSA-N 1 0 460.619 2.718 50 0 JFAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000048310088 520257420 /nfs/dbraw/zinc/25/74/20/520257420.db2.gz MIMANFQAUPQZRP-KDURUIRLSA-N 1 0 459.612 2.866 50 0 JFAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000008636789 520692772 /nfs/dbraw/zinc/69/27/72/520692772.db2.gz NPLVAVBBBUBUCZ-UHFFFAOYSA-N 1 0 453.374 2.543 50 0 JFAARO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC1CCCCC1 ZINC000019922685 520718374 /nfs/dbraw/zinc/71/83/74/520718374.db2.gz APFHYAOXXZSYIC-UHFFFAOYSA-N 1 0 489.638 2.893 50 0 JFAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21 ZINC000036644167 520727589 /nfs/dbraw/zinc/72/75/89/520727589.db2.gz HRDDHJCMCGQPIZ-ZWKOTPCHSA-N 1 0 476.643 2.656 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2c1 ZINC000016599438 520808917 /nfs/dbraw/zinc/80/89/17/520808917.db2.gz XMHNSNFUHRJUQT-JOCHJYFZSA-N 1 0 470.595 2.591 50 0 JFAARO CCOC(=O)N1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3CC)CC1 ZINC000014745371 520923658 /nfs/dbraw/zinc/92/36/58/520923658.db2.gz UWBYJEBHNXCULD-UHFFFAOYSA-N 1 0 472.586 2.935 50 0 JFAARO CC1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000033032948 520988929 /nfs/dbraw/zinc/98/89/29/520988929.db2.gz DJXDVJFFUFAWNS-UHFFFAOYSA-N 1 0 460.575 2.908 50 0 JFAARO CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)CC1 ZINC000020414788 521037182 /nfs/dbraw/zinc/03/71/82/521037182.db2.gz YPPSRQDVHVMBDB-UHFFFAOYSA-N 1 0 452.599 2.737 50 0 JFAARO CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)CC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033999 521216674 /nfs/dbraw/zinc/21/66/74/521216674.db2.gz LPYPBVNLBJBXEB-KRWDZBQOSA-N 1 0 487.626 2.774 50 0 JFAARO CCC[C@]1(C2CCN(C(=O)c3cccnc3OC)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000014889372 521314446 /nfs/dbraw/zinc/31/44/46/521314446.db2.gz RRMWRFIVZFUMGS-KBMIEXCESA-N 1 0 471.602 2.517 50 0 JFAARO CCOC(=O)c1c(C)c(CCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c(C)n1C ZINC000046046661 521391467 /nfs/dbraw/zinc/39/14/67/521391467.db2.gz BJNCDVRMHFLSSS-UHFFFAOYSA-N 1 0 454.615 2.685 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COC ZINC000036309311 521537471 /nfs/dbraw/zinc/53/74/71/521537471.db2.gz RZKWYGFRZZVHSZ-AVRDEDQJSA-N 1 0 462.612 2.981 50 0 JFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCN(C(=O)OCC)CC1)C2 ZINC000014752990 521664150 /nfs/dbraw/zinc/66/41/50/521664150.db2.gz NASCSQIVHJKVJL-GOSISDBHSA-N 1 0 463.648 2.550 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)CC1 ZINC000020508128 521680750 /nfs/dbraw/zinc/68/07/50/521680750.db2.gz AOABYTJRDUODTE-BJKOFHAPSA-N 1 0 484.666 2.819 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000033131369 521680869 /nfs/dbraw/zinc/68/08/69/521680869.db2.gz IIEZWQXSYIIXIQ-UHFFFAOYSA-N 1 0 471.067 2.662 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)c2ccc(CN3C(=O)CSc4nc(C)cc(C)c43)cc2)CC1 ZINC000021872636 521683600 /nfs/dbraw/zinc/68/36/00/521683600.db2.gz XAEHCDHTUUFQFI-UHFFFAOYSA-N 1 0 467.639 2.705 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)COc3ccccc3)CC2)C1=O ZINC000014886091 521757247 /nfs/dbraw/zinc/75/72/47/521757247.db2.gz WDEKBEIOFHNJIQ-NDEPHWFRSA-N 1 0 492.620 2.789 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)C3=CCCC3)CC2)C1=O ZINC000014957481 521758879 /nfs/dbraw/zinc/75/88/79/521758879.db2.gz IFBHHDLESBBSCE-AREMUKBSSA-N 1 0 452.599 2.820 50 0 JFAARO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403258 521831093 /nfs/dbraw/zinc/83/10/93/521831093.db2.gz ULLFXKPWSKVZMK-DEOSSOPVSA-N 1 0 480.584 2.556 50 0 JFAARO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc(OC)c1 ZINC000014884566 522398020 /nfs/dbraw/zinc/39/80/20/522398020.db2.gz QKZLGVVAHFIZRQ-UHFFFAOYSA-N 1 0 463.582 2.943 50 0 JFAARO CCc1nn(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384075 522702370 /nfs/dbraw/zinc/70/23/70/522702370.db2.gz QUQNTOAMMVIRNR-UHFFFAOYSA-N 1 0 492.649 2.597 50 0 JFAARO COc1cc(O)ccc1C[N@H+]1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000012204667 522784046 /nfs/dbraw/zinc/78/40/46/522784046.db2.gz PYAFLZCLSNQTJB-QFIPXVFZSA-N 1 0 450.543 2.573 50 0 JFAARO COc1cc(OC)cc(C(=O)N2CCN([C@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255065 522846575 /nfs/dbraw/zinc/84/65/75/522846575.db2.gz LPCDCEDGTPSGQW-VWLOTQADSA-N 1 0 486.657 2.623 50 0 JFAARO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)Cc1ccccc1 ZINC000033131486 522860033 /nfs/dbraw/zinc/86/00/33/522860033.db2.gz BZESGXIIHNTIJV-UHFFFAOYSA-N 1 0 468.044 2.939 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000079193093 523097314 /nfs/dbraw/zinc/09/73/14/523097314.db2.gz CJKOZYLAMNPKQZ-SXWKCWPCSA-N 1 0 486.638 2.913 50 0 biogenic JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955547 523167795 /nfs/dbraw/zinc/16/77/95/523167795.db2.gz YAQUZRNIVCLGON-LJQANCHMSA-N 1 0 472.659 2.891 50 0 JFAARO COCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)cc2)s1 ZINC000033032161 523249298 /nfs/dbraw/zinc/24/92/98/523249298.db2.gz LTQREZVNYYXONS-UHFFFAOYSA-N 1 0 494.621 2.879 50 0 JFAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)/C=C/c3cccc(F)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014991460 523318382 /nfs/dbraw/zinc/31/83/82/523318382.db2.gz XYVRBXIAFKNGQA-FPVCCHAOSA-N 1 0 494.611 2.773 50 0 JFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCCC1)C2 ZINC000023353687 523612732 /nfs/dbraw/zinc/61/27/32/523612732.db2.gz CQIRQHOAVRPPRN-FQEVSTJZSA-N 1 0 475.703 2.574 50 0 JFAARO CN1C(=O)c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875591 523728232 /nfs/dbraw/zinc/72/82/32/523728232.db2.gz BJZNHDOCFWEDNH-HHHXNRCGSA-N 1 0 498.672 2.657 50 0 JFAARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014732975 523800531 /nfs/dbraw/zinc/80/05/31/523800531.db2.gz DDUKPBKGPKTNCE-UHFFFAOYSA-N 1 0 491.588 2.870 50 0 JFAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc3c(c2)OCO3)CC1 ZINC000022798312 523921831 /nfs/dbraw/zinc/92/18/31/523921831.db2.gz CNXRPMVJCDPWBA-GOSISDBHSA-N 1 0 489.491 2.840 50 0 JFAARO CN1CCN(c2nnc(-n3cccc3C[NH2+]C3CCN(Cc4ccccc4)CC3)s2)CC1 ZINC000021880790 523931335 /nfs/dbraw/zinc/93/13/35/523931335.db2.gz VPELZGGWRJAIIM-UHFFFAOYSA-N 1 0 451.644 2.835 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1 ZINC000014881530 524039789 /nfs/dbraw/zinc/03/97/89/524039789.db2.gz ABXZARFSFOQWOF-HSZRJFAPSA-N 1 0 464.570 2.876 50 0 JFAARO COc1ccc(CNC(=O)c2c(N)n(CCC[NH+]3CCOCC3)c3nc4ccccc4nc32)cc1 ZINC000020358206 524065105 /nfs/dbraw/zinc/06/51/05/524065105.db2.gz XZHKFDZGYOLWDS-UHFFFAOYSA-N 1 0 474.565 2.828 50 0 JFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4nc5cccnc5n(C)c4=O)CC3)CC2)cc1 ZINC000033259084 524437680 /nfs/dbraw/zinc/43/76/80/524437680.db2.gz LUUAVDQRGJOJKN-UHFFFAOYSA-N 1 0 488.636 2.882 50 0 JFAARO C[C@@H](CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000045974454 524579718 /nfs/dbraw/zinc/57/97/18/524579718.db2.gz HVVNEXVJWJJGMH-KRWDZBQOSA-N 1 0 480.428 2.675 50 0 JFAARO COc1ccccc1[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[NH+]1CCCC1 ZINC000022679546 524790148 /nfs/dbraw/zinc/79/01/48/524790148.db2.gz VSTZHCQYFLJGQQ-RXVVDRJESA-N 1 0 465.550 2.773 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCC4)C3)s2)cc1 ZINC000033263286 525259463 /nfs/dbraw/zinc/25/94/63/525259463.db2.gz AFDWOIMDBXDYBY-LJQANCHMSA-N 1 0 498.653 2.943 50 0 JFAARO Cc1ccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCCN4CC[NH+](C)CC4)c3)s2)cc1 ZINC000033027881 525449576 /nfs/dbraw/zinc/44/95/76/525449576.db2.gz ARFZTWOAJYUCNS-UHFFFAOYSA-N 1 0 494.621 2.655 50 0 JFAARO CSCCCNc1cc(C(=O)N2CCC[N@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732471 525484283 /nfs/dbraw/zinc/48/42/83/525484283.db2.gz IOJKOSDYISTGLM-UHFFFAOYSA-N 1 0 456.678 2.706 50 0 JFAARO COc1ccc2c(C)c(CC(=O)NCC3([NH+]4CCN(C)CC4)CCCCC3)c(=O)oc2c1OC ZINC000022933423 525497545 /nfs/dbraw/zinc/49/75/45/525497545.db2.gz ZPQCYTYLEOGUTR-UHFFFAOYSA-N 1 0 471.598 2.728 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1Cl ZINC000033033811 525591345 /nfs/dbraw/zinc/59/13/45/525591345.db2.gz NDLLEXOLUGWXHH-UHFFFAOYSA-N 1 0 450.992 2.997 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1Cl ZINC000033033737 525591420 /nfs/dbraw/zinc/59/14/20/525591420.db2.gz QVSKSLQAVBCQGF-SFHVURJKSA-N 1 0 493.029 2.768 50 0 JFAARO Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCCC[NH+]4CCC(C)CC4)n3)n2)cc1 ZINC000033292443 525744946 /nfs/dbraw/zinc/74/49/46/525744946.db2.gz WXFPGTVLJHRRFK-UHFFFAOYSA-N 1 0 450.543 2.502 50 0 JFAARO Cc1ccsc1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000014994060 525820861 /nfs/dbraw/zinc/82/08/61/525820861.db2.gz CFXSGJPNIBSZHX-OAQYLSRUSA-N 1 0 470.639 2.604 50 0 JFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCC[C@H](C)[NH+]1CCCCCC1)c2=O ZINC000064970792 525936665 /nfs/dbraw/zinc/93/66/65/525936665.db2.gz OGAWLZFJMNRWLN-SFHVURJKSA-N 1 0 450.587 2.970 50 0 JFAARO COc1cccc(C[C@@]2(C3CC[NH+](Cc4cc5ccccc5[nH]c4=O)CC3)NC(=O)N(C)C2=O)c1 ZINC000014878659 526075496 /nfs/dbraw/zinc/07/54/96/526075496.db2.gz CCDPGDYRDPVFTQ-MHZLTWQESA-N 1 0 474.561 2.912 50 0 JFAARO Cc1nn(CCCC(=O)NCC[NH+]2CCCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033058058 526278947 /nfs/dbraw/zinc/27/89/47/526278947.db2.gz MPCCKYGDQYDLGZ-UHFFFAOYSA-N 1 0 473.581 2.674 50 0 JFAARO O=C(C1CCN(c2nn3c(nc4c(c3=O)CCCC4)s2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021664116 526308406 /nfs/dbraw/zinc/30/84/06/526308406.db2.gz IJYHTARDECLXDE-UHFFFAOYSA-N 1 0 484.670 2.723 50 0 JFAARO Cn1c2ccccc2n(Cc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)c(=O)c1=O ZINC000021663090 527111771 /nfs/dbraw/zinc/11/17/71/527111771.db2.gz ZHHLDUXEAVPBQA-UHFFFAOYSA-N 1 0 460.578 2.839 50 0 JFAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000022832657 527114462 /nfs/dbraw/zinc/11/44/62/527114462.db2.gz OTXXWTOERPGENZ-UHFFFAOYSA-N 1 0 457.582 2.895 50 0 JFAARO Cn1c2nc3n(cc(-c4ccccc4)n3CC[NH2+]C34CC5CC(CC(C5)C3)C4)c2c(=O)n(C)c1=O ZINC000008846508 527124458 /nfs/dbraw/zinc/12/44/58/527124458.db2.gz OWZDRCICARLWME-UHFFFAOYSA-N 1 0 472.593 2.912 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000020466516 527530519 /nfs/dbraw/zinc/53/05/19/527530519.db2.gz BVNNZXGFIWJESQ-UHFFFAOYSA-N 1 0 468.627 2.662 50 0 JFAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC000014732364 527542154 /nfs/dbraw/zinc/54/21/54/527542154.db2.gz MBGFZAHVDLXRLE-HXUWFJFHSA-N 1 0 454.640 2.804 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061216 527667924 /nfs/dbraw/zinc/66/79/24/527667924.db2.gz FTMMXGIJINDQSQ-UHFFFAOYSA-N 1 0 464.595 2.728 50 0 JFAARO Cc1nn(C)c2c1ccnc2N1CCC(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000033299151 527681177 /nfs/dbraw/zinc/68/11/77/527681177.db2.gz DHYBXGDNEWBGCG-UHFFFAOYSA-N 1 0 475.641 2.822 50 0 JFAARO OCC[NH+](CCO)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626536 553714701 /nfs/dbraw/zinc/71/47/01/553714701.db2.gz QCHVBMYVHVSEJH-OAHLLOKOSA-N 1 0 486.204 2.967 50 0 JFAARO COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+](C)C)CC(=O)N23)c1 ZINC000002101679 554042967 /nfs/dbraw/zinc/04/29/67/554042967.db2.gz IJHKUZDYCSIZBQ-BKMJKUGQSA-N 1 0 476.577 2.822 50 0 biogenic JFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32c3cccc(CC)c3NC2=O)cc1 ZINC000002130113 554059921 /nfs/dbraw/zinc/05/99/21/554059921.db2.gz DWZCDFFQIFCPHF-WFQVPWNOSA-N 1 0 473.529 2.857 50 0 JFAARO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000006471995 554543434 /nfs/dbraw/zinc/54/34/34/554543434.db2.gz RQATUKFWGOJNSF-JOCHJYFZSA-N 1 0 473.595 2.757 50 0 JFAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000008825971 554714955 /nfs/dbraw/zinc/71/49/55/554714955.db2.gz XRKLELFATXPWPE-INIZCTEOSA-N 1 0 470.957 2.855 50 0 JFAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CC2 ZINC000008851296 554748115 /nfs/dbraw/zinc/74/81/15/554748115.db2.gz NKWZZILITHMNDQ-NRFANRHFSA-N 1 0 470.595 2.687 50 0 JFAARO CCN1CCN(c2nnc(-n3cccc3C(=O)N3CC[NH+](C4CCCCC4)CC3)s2)CC1 ZINC000009269466 555044122 /nfs/dbraw/zinc/04/41/22/555044122.db2.gz KOMMRQZDRGZTJM-UHFFFAOYSA-N 1 0 457.648 2.561 50 0 JFAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)CC2)c1 ZINC000009405401 555164687 /nfs/dbraw/zinc/16/46/87/555164687.db2.gz LNKLFPVMAXUSCI-UHFFFAOYSA-N 1 0 458.628 2.760 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)CCc3c(C)nc4nc(CN)nn4c3C)CC2)c1 ZINC000009407450 555168897 /nfs/dbraw/zinc/16/88/97/555168897.db2.gz GXLXASIAJLFVDR-UHFFFAOYSA-N 1 0 463.630 2.778 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000009429335 555195918 /nfs/dbraw/zinc/19/59/18/555195918.db2.gz XZIVEQWPLWUYGI-AKTXLMLESA-N 1 0 453.926 2.807 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000013164647 555365778 /nfs/dbraw/zinc/36/57/78/555365778.db2.gz OSXJDHHAEDIGDB-UHFFFAOYSA-N 1 0 487.622 2.632 50 0 JFAARO CCC[NH+](CCC)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000009692619 555420672 /nfs/dbraw/zinc/42/06/72/555420672.db2.gz OMSZJJFACBGKRV-FQEVSTJZSA-N 1 0 489.667 2.819 50 0 JFAARO Cc1cccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(Cl)c3)CC2)c1 ZINC000009714392 555443225 /nfs/dbraw/zinc/44/32/25/555443225.db2.gz SJGCOYFETAOTMR-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000009726111 555459587 /nfs/dbraw/zinc/45/95/87/555459587.db2.gz QVKKMHZJKBQNJH-SBUREZEXSA-N 1 0 457.596 2.973 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000013575946 555514926 /nfs/dbraw/zinc/51/49/26/555514926.db2.gz SXZSKKHMFRXSMB-SVHPSLOZSA-N 1 0 453.926 2.807 50 0 JFAARO C[N@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)Cc1ccccc1 ZINC000009838248 555542664 /nfs/dbraw/zinc/54/26/64/555542664.db2.gz KFJPSJVCCNEAHD-IBGZPJMESA-N 1 0 487.651 2.730 50 0 JFAARO C[NH+](C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2cc3c(cc2s1)OCO3 ZINC000010068119 555614345 /nfs/dbraw/zinc/61/43/45/555614345.db2.gz GGWHXJQRAFUWFV-UHFFFAOYSA-N 1 0 466.519 2.606 50 0 JFAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000020114984 555652650 /nfs/dbraw/zinc/65/26/50/555652650.db2.gz COENPWJMXYYWIL-QHCPKHFHSA-N 1 0 495.649 2.582 50 0 JFAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114990 555652782 /nfs/dbraw/zinc/65/27/82/555652782.db2.gz DMWNXKSTYDQFGT-JOCHJYFZSA-N 1 0 465.623 2.573 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000020168812 555679573 /nfs/dbraw/zinc/67/95/73/555679573.db2.gz FJCBJYFFWGECRB-NRFANRHFSA-N 1 0 467.497 2.529 50 0 JFAARO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000014093324 555685873 /nfs/dbraw/zinc/68/58/73/555685873.db2.gz HIYNDROYEUHNPI-HOFKKMOUSA-N 1 0 456.546 2.998 50 0 JFAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]C(CO)(CO)CO ZINC000010384358 555702692 /nfs/dbraw/zinc/70/26/92/555702692.db2.gz RRABSVSVBDUTFJ-QHCPKHFHSA-N 1 0 460.574 2.950 50 0 JFAARO O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020216069 555712142 /nfs/dbraw/zinc/71/21/42/555712142.db2.gz BAQBYSHVMYBVLF-KRWDZBQOSA-N 1 0 477.656 2.569 50 0 JFAARO CCCCn1c2nc(CCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000010556537 555727100 /nfs/dbraw/zinc/72/71/00/555727100.db2.gz PUKCYYIJFBHTNZ-UHFFFAOYSA-N 1 0 474.650 2.700 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288200 555757112 /nfs/dbraw/zinc/75/71/12/555757112.db2.gz RTOVEKFWQRIVHN-OFNKIYASSA-N 1 0 471.671 2.574 50 0 JFAARO CC1(C)CC(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000011423295 555779315 /nfs/dbraw/zinc/77/93/15/555779315.db2.gz RJXMRGBVTZIZJY-UHFFFAOYSA-N 1 0 451.511 2.679 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530918 555798357 /nfs/dbraw/zinc/79/83/57/555798357.db2.gz UFXBUCZIKGTDKL-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)CN2c3cc(C)ccc3Oc3ncccc3C2=O)CC1 ZINC000020532514 555802696 /nfs/dbraw/zinc/80/26/96/555802696.db2.gz CCUXVYSODXSEMO-UHFFFAOYSA-N 1 0 451.571 2.676 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000020533528 555804935 /nfs/dbraw/zinc/80/49/35/555804935.db2.gz JLCKGBJATVXWHP-IMIIHFCZSA-N 1 0 463.509 2.827 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557898 555809312 /nfs/dbraw/zinc/80/93/12/555809312.db2.gz DDABWWJSQKWWNW-QHCPKHFHSA-N 1 0 452.530 2.815 50 0 JFAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)cc2)CC1 ZINC000020557984 555809606 /nfs/dbraw/zinc/80/96/06/555809606.db2.gz ZRTBODKWZYNNNI-UHFFFAOYSA-N 1 0 460.600 2.530 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565248 555819835 /nfs/dbraw/zinc/81/98/35/555819835.db2.gz MUEOIVFGMAJIGM-UHFFFAOYSA-N 1 0 468.627 2.522 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014532740 555820687 /nfs/dbraw/zinc/82/06/87/555820687.db2.gz OVEKVSGNCSDEJX-UHFFFAOYSA-N 1 0 465.550 2.710 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1cc(-c2cc(C)cs2)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000014538549 555827978 /nfs/dbraw/zinc/82/79/78/555827978.db2.gz HPNOZEGHUIWPEN-UHFFFAOYSA-N 1 0 465.641 2.816 50 0 JFAARO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CCN(C2CC[NH+](C(C)C)CC2)C3)c1 ZINC000014541597 555832312 /nfs/dbraw/zinc/83/23/12/555832312.db2.gz RFGGGCDPSNEAOV-QHCPKHFHSA-N 1 0 495.668 2.768 50 0 JFAARO Cc1csc(-c2cc(C(=O)NC[C@H]3CCCC[N@H+]3C)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014541707 555832397 /nfs/dbraw/zinc/83/23/97/555832397.db2.gz FSMMRRPCGNTSGF-HXUWFJFHSA-N 1 0 477.652 2.959 50 0 JFAARO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]12 ZINC000014542086 555832624 /nfs/dbraw/zinc/83/26/24/555832624.db2.gz GMSDMJHNGGFEKT-LOSJGSFVSA-N 1 0 491.661 2.969 50 0 JFAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000015001641 555846600 /nfs/dbraw/zinc/84/66/00/555846600.db2.gz RPLXEMKGRISWLO-GJZUVCINSA-N 1 0 466.557 2.606 50 0 JFAARO CCOc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)ccc1O ZINC000020775297 555847723 /nfs/dbraw/zinc/84/77/23/555847723.db2.gz NSTCQLGMLVOYOZ-QGZVFWFLSA-N 1 0 465.554 2.940 50 0 JFAARO CC(C)CC[C@]1(C2CCN(C(=O)CSc3ccccn3)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000011881875 555850206 /nfs/dbraw/zinc/85/02/06/555850206.db2.gz KNNZXTKPEIUBQQ-XMMPIXPASA-N 1 0 475.659 2.701 50 0 JFAARO COC(=O)c1ccc(C[NH+]2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@H]4CCCO4)C3=O)CC2)cc1 ZINC000011913008 555862299 /nfs/dbraw/zinc/86/22/99/555862299.db2.gz MKGVVCYPJIZJKY-AMGIVPHBSA-N 1 0 492.576 2.707 50 0 JFAARO COC(=O)c1ccc(C[NH+]2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@H]4CCCO4)C3=O)CC2)cc1 ZINC000011913009 555862330 /nfs/dbraw/zinc/86/23/30/555862330.db2.gz MKGVVCYPJIZJKY-AJTFRIOCSA-N 1 0 492.576 2.707 50 0 JFAARO COc1ccccc1-n1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cn1 ZINC000011964679 555871159 /nfs/dbraw/zinc/87/11/59/555871159.db2.gz SUEZVGYACMELFW-NZQKXSOJSA-N 1 0 454.571 2.690 50 0 JFAARO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996322 555878113 /nfs/dbraw/zinc/87/81/13/555878113.db2.gz CQKLRDWQBZAUOQ-QHCPKHFHSA-N 1 0 462.554 2.630 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000011998625 555881514 /nfs/dbraw/zinc/88/15/14/555881514.db2.gz RSQOTEPCZCPEOJ-QHCPKHFHSA-N 1 0 485.606 2.965 50 0 JFAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@@H+](C3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000012000069 555882153 /nfs/dbraw/zinc/88/21/53/555882153.db2.gz AXGYUAKQPKELBZ-QMEHBSBUSA-N 1 0 493.608 2.830 50 0 JFAARO COC(=O)c1c(OCCCc2cnn(C)c2)cc(=O)n2c1CC[N@H+](C[C@H]1CC=CCC1)CC2 ZINC000012036637 555889774 /nfs/dbraw/zinc/88/97/74/555889774.db2.gz AKIRNNHAVYFEMO-IBGZPJMESA-N 1 0 454.571 2.594 50 0 JFAARO CC(C)CC[C@@]1(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012040415 555893187 /nfs/dbraw/zinc/89/31/87/555893187.db2.gz MLQPYRRXSNZYMU-NVQXNPDNSA-N 1 0 470.614 2.517 50 0 JFAARO Cc1nn(C)c(C)c1CN(C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CC[NH+](C)C)C1=O)C(C)C ZINC000012041306 555893962 /nfs/dbraw/zinc/89/39/62/555893962.db2.gz VULPLEXATHEQAR-HHHXNRCGSA-N 1 0 481.641 2.731 50 0 JFAARO Cc1nn(C)c(C)c1CN(C(=O)C[C@]1(c2ccccc2C)CC(=O)N(CC[NH+](C)C)C1=O)C(C)C ZINC000012041309 555894053 /nfs/dbraw/zinc/89/40/53/555894053.db2.gz VULPLEXATHEQAR-MHZLTWQESA-N 1 0 481.641 2.731 50 0 JFAARO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015420231 555908108 /nfs/dbraw/zinc/90/81/08/555908108.db2.gz UTRVLGSNWRNDQQ-UHFFFAOYSA-N 1 0 465.598 2.686 50 0 JFAARO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000012132392 555912315 /nfs/dbraw/zinc/91/23/15/555912315.db2.gz ROHDLGRJRIRGCS-QFIPXVFZSA-N 1 0 460.538 2.898 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000012141002 555920473 /nfs/dbraw/zinc/92/04/73/555920473.db2.gz GVOAVUAKMBALIB-UHFFFAOYSA-N 1 0 490.607 2.874 50 0 JFAARO COC(=O)c1sc(NC(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(C(=O)OC)c1C ZINC000022373356 555926874 /nfs/dbraw/zinc/92/68/74/555926874.db2.gz SWNNHUMBGXLATI-UHFFFAOYSA-N 1 0 477.558 2.915 50 0 JFAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2s1 ZINC000012342206 555954871 /nfs/dbraw/zinc/95/48/71/555954871.db2.gz CDZWUJUZHBBACG-UHFFFAOYSA-N 1 0 488.635 2.916 50 0 JFAARO Cc1ccc(-c2csc3ncn(CC(=O)N4CCN(CC[NH+]5CCCC5)CC4)c(=O)c23)cc1 ZINC000022931878 555984837 /nfs/dbraw/zinc/98/48/37/555984837.db2.gz ARAWIEWEKMYZMD-UHFFFAOYSA-N 1 0 465.623 2.673 50 0 JFAARO O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000015766899 555985831 /nfs/dbraw/zinc/98/58/31/555985831.db2.gz ZTXPFVJDOKJYMH-UHFFFAOYSA-N 1 0 494.061 2.740 50 0 JFAARO CN1CC[NH+](C2(CNC(=O)COc3ccc4nc5n(c(=O)c4c3)CCCCC5)CCCCC2)CC1 ZINC000022935752 555988725 /nfs/dbraw/zinc/98/87/25/555988725.db2.gz BCEAHXMFRGGLDS-UHFFFAOYSA-N 1 0 481.641 2.568 50 0 JFAARO Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)NCCC[NH+]1CCCCC1)c(=O)n2C ZINC000015779889 555998450 /nfs/dbraw/zinc/99/84/50/555998450.db2.gz KMXALQUGYYMYLI-UHFFFAOYSA-N 1 0 450.587 2.661 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000023133136 556020002 /nfs/dbraw/zinc/02/00/02/556020002.db2.gz QESYPTLGFLSUHH-PMACEKPBSA-N 1 0 453.630 2.869 50 0 JFAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1Cl ZINC000015862685 556035831 /nfs/dbraw/zinc/03/58/31/556035831.db2.gz MQTBJGQOFZNTGT-SFHVURJKSA-N 1 0 480.030 2.965 50 0 JFAARO COc1ccc(C[NH2+]C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)cc1 ZINC000023339328 556047716 /nfs/dbraw/zinc/04/77/16/556047716.db2.gz YENYZPCQWPPUNE-UHFFFAOYSA-N 1 0 452.599 2.516 50 0 JFAARO O=C(C[NH2+][C@H](CN1CCOCC1)c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000023473033 556074292 /nfs/dbraw/zinc/07/42/92/556074292.db2.gz WKRZPIJMBRMODA-CJSSZYOBSA-N 1 0 494.617 2.502 50 0 JFAARO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000023736293 556086393 /nfs/dbraw/zinc/08/63/93/556086393.db2.gz BGOWDDAJLHTMOM-SANMLTNESA-N 1 0 478.593 2.758 50 0 JFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000015957772 556089527 /nfs/dbraw/zinc/08/95/27/556089527.db2.gz AVFBUDDCGRBDQG-LYXWCMDISA-N 1 0 453.926 2.925 50 0 biogenic JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000016009907 556109079 /nfs/dbraw/zinc/10/90/79/556109079.db2.gz HDMHJKBCBGGPAR-IMIIHFCZSA-N 1 0 457.461 2.699 50 0 JFAARO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016025146 556115997 /nfs/dbraw/zinc/11/59/97/556115997.db2.gz QLMIIQZZDXGISD-ZOZBEKFXSA-N 1 0 466.401 2.721 50 0 JFAARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016032824 556117020 /nfs/dbraw/zinc/11/70/20/556117020.db2.gz UHDGPGNZVLIZPB-KKPNIWNPSA-N 1 0 459.502 2.606 50 0 biogenic JFAARO CCCn1c(CCC(=O)NC[C@H](C(C)C)[NH+](CC)CC)nc2cc(S(N)(=O)=O)ccc21 ZINC000024709761 556146204 /nfs/dbraw/zinc/14/62/04/556146204.db2.gz WKSQINKNQCDNPF-HXUWFJFHSA-N 1 0 451.637 2.509 50 0 JFAARO CNC(=O)NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C)c1ccccc1 ZINC000012974443 556166080 /nfs/dbraw/zinc/16/60/80/556166080.db2.gz AZKPUCDPFNRFGN-IBGZPJMESA-N 1 0 453.568 2.637 50 0 JFAARO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2)cc1 ZINC000024971945 556166184 /nfs/dbraw/zinc/16/61/84/556166184.db2.gz FHVWZZBIEKHSCN-UHFFFAOYSA-N 1 0 470.639 2.674 50 0 JFAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(I)cc3)CC2)[nH+]1 ZINC000017012344 556202373 /nfs/dbraw/zinc/20/23/73/556202373.db2.gz QNSAUJVSQBDDPH-UHFFFAOYSA-N 1 0 477.350 2.952 50 0 JFAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2OCc2ccccn2)cc1)N1CCOCC1 ZINC000025311691 556208035 /nfs/dbraw/zinc/20/80/35/556208035.db2.gz NQJPSYCXTSLLKC-UHFFFAOYSA-N 1 0 453.564 2.971 50 0 JFAARO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(N(C)C)cc(C)[nH+]2)CC1 ZINC000017315593 556257744 /nfs/dbraw/zinc/25/77/44/556257744.db2.gz UNJCBYHSUQUBQF-UHFFFAOYSA-N 1 0 484.420 2.523 50 0 JFAARO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000018250337 556316227 /nfs/dbraw/zinc/31/62/27/556316227.db2.gz RQATUKFWGOJNSF-QFIPXVFZSA-N 1 0 473.595 2.757 50 0 JFAARO Cc1cc(O[C@H](C)C(=O)O[C@@H](CN2C(=O)c3ccccc3C2=O)CN2CC[NH+](C)CC2)ccc1Cl ZINC000028293246 556329600 /nfs/dbraw/zinc/32/96/00/556329600.db2.gz MKQQFVMCLBJMNI-UYAOXDASSA-N 1 0 499.995 2.871 50 0 JFAARO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000028724846 556340266 /nfs/dbraw/zinc/34/02/66/556340266.db2.gz FPZFRBTWPWRXBL-NRFANRHFSA-N 1 0 489.624 2.605 50 0 JFAARO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)no1 ZINC000029999932 556362199 /nfs/dbraw/zinc/36/21/99/556362199.db2.gz XSMYXSITIWYMKE-AZUAARDMSA-N 1 0 459.616 2.538 50 0 JFAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000032504756 556438934 /nfs/dbraw/zinc/43/89/34/556438934.db2.gz MMMGMLMQJAFQRK-UHFFFAOYSA-N 1 0 450.992 2.985 50 0 JFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000032772634 556490363 /nfs/dbraw/zinc/49/03/63/556490363.db2.gz NCIDLMLGQLGMDC-JOCHJYFZSA-N 1 0 456.612 2.908 50 0 JFAARO O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000032936058 556551207 /nfs/dbraw/zinc/55/12/07/556551207.db2.gz NWVIXLLZLALCKI-UHFFFAOYSA-N 1 0 478.431 2.872 50 0 JFAARO CCCC[NH+](CCCC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000008596539 562944560 /nfs/dbraw/zinc/94/45/60/562944560.db2.gz ZETGXEIPHRFHOI-UHFFFAOYSA-N 1 0 490.670 2.955 50 0 JFAARO COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057281507 569595430 /nfs/dbraw/zinc/59/54/30/569595430.db2.gz NXZDUZHYNOXDPA-UHFFFAOYSA-N 1 0 480.590 2.917 50 0 JFAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1-c1cc(Cl)ccc1C ZINC000008710237 569595620 /nfs/dbraw/zinc/59/56/20/569595620.db2.gz RZOYSDAHGTWFOR-UHFFFAOYSA-N 1 0 454.962 2.895 50 0 JFAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000057383344 569599542 /nfs/dbraw/zinc/59/95/42/569599542.db2.gz SJWXCTQHEVEYQK-MRXNPFEDSA-N 1 0 455.536 2.902 50 0 JFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414721 569600133 /nfs/dbraw/zinc/60/01/33/569600133.db2.gz OLDRZHHWDXBFLW-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO COC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057414937 569600371 /nfs/dbraw/zinc/60/03/71/569600371.db2.gz AQAJANLCOOCESD-JOCHJYFZSA-N 1 0 454.958 2.939 50 0 JFAARO CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCC([NH+]3CCCCC3)CC2)=C1C(=O)OC ZINC000057415692 569601040 /nfs/dbraw/zinc/60/10/40/569601040.db2.gz WIFXIAQHKGTJDU-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000058147933 569602113 /nfs/dbraw/zinc/60/21/13/569602113.db2.gz BOTJNBRFKWKVOT-ZWKOTPCHSA-N 1 0 454.546 2.959 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032983814 569607208 /nfs/dbraw/zinc/60/72/08/569607208.db2.gz AMCYFQOYLSBXNN-OAQYLSRUSA-N 1 0 477.652 2.655 50 0 JFAARO C[C@H](CCNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)[NH+]1CCCC1 ZINC000032987572 569609577 /nfs/dbraw/zinc/60/95/77/569609577.db2.gz RKQIZIRFBROYNA-CQSZACIVSA-N 1 0 451.980 2.951 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008869 569615895 /nfs/dbraw/zinc/61/58/95/569615895.db2.gz FLAATNULHIDJJJ-UHFFFAOYSA-N 1 0 465.554 2.990 50 0 JFAARO CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCCCCC4)C3)ccc21 ZINC000033023505 569619646 /nfs/dbraw/zinc/61/96/46/569619646.db2.gz JUVAEEXTNDLIJD-FQEVSTJZSA-N 1 0 490.674 2.795 50 0 JFAARO CCC[NH+]1CCN(C(=O)[C@@H](C)C2CCN(C(=O)c3[nH]c(C)c(C(=O)OCC)c3C)CC2)CC1 ZINC000033024164 569619767 /nfs/dbraw/zinc/61/97/67/569619767.db2.gz LQGIFBQZGPMEQN-KRWDZBQOSA-N 1 0 460.619 2.851 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCC[NH+]4CCCCCC4)C3)s2)cc1 ZINC000033024713 569620209 /nfs/dbraw/zinc/62/02/09/569620209.db2.gz BRSCLYIWDXZPIO-LJQANCHMSA-N 1 0 498.653 2.943 50 0 JFAARO Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4cc(N(C)C)[nH+]c(C)n4)CC3)s2)cs1 ZINC000033318381 569623019 /nfs/dbraw/zinc/62/30/19/569623019.db2.gz QUPRVOKVLYLPGZ-UHFFFAOYSA-N 1 0 464.642 2.855 50 0 JFAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)n1C ZINC000064923192 569646275 /nfs/dbraw/zinc/64/62/75/569646275.db2.gz DAHLLHSJNMEJAH-UHFFFAOYSA-N 1 0 453.992 2.964 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ncc(-c4ccc(F)cc4)cn3)CC2)CC1 ZINC000065023864 569649908 /nfs/dbraw/zinc/64/99/08/569649908.db2.gz WHCZPMBBORRGRY-UHFFFAOYSA-N 1 0 454.594 2.643 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)CC1 ZINC000065023212 569649798 /nfs/dbraw/zinc/64/97/98/569649798.db2.gz BAHHVZKGEIXGKL-OAQYLSRUSA-N 1 0 454.594 2.643 50 0 JFAARO CCOC(=O)C1CCN(C(=O)c2cc(NC(=O)c3cccc(Cl)c3)cnc2N2CC[NH2+]CC2)CC1 ZINC000065025438 569650707 /nfs/dbraw/zinc/65/07/07/569650707.db2.gz WWQLEFHVPXIYKM-UHFFFAOYSA-N 1 0 499.999 2.812 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000065061511 569655487 /nfs/dbraw/zinc/65/54/87/569655487.db2.gz WBIJZNIMSKFOCD-SFHVURJKSA-N 1 0 476.643 2.967 50 0 JFAARO O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc(F)c(Cl)c1 ZINC000065074637 569657278 /nfs/dbraw/zinc/65/72/78/569657278.db2.gz GHKWBRBAWXMOMN-UHFFFAOYSA-N 1 0 468.957 2.933 50 0 biogenic JFAARO COc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc4c(c2)CCCC4)CC3)c1 ZINC000065074802 569657413 /nfs/dbraw/zinc/65/74/13/569657413.db2.gz JZUKPONISJGIOH-UHFFFAOYSA-N 1 0 482.650 2.889 50 0 biogenic JFAARO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cc(F)cc(F)c2)c(C)c1 ZINC000065074803 569657461 /nfs/dbraw/zinc/65/74/61/569657461.db2.gz HHLFWUUZWHYVPT-UHFFFAOYSA-N 1 0 462.566 2.896 50 0 biogenic JFAARO O=S(=O)(c1ccc(Cl)s1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccccc1F ZINC000065074786 569657462 /nfs/dbraw/zinc/65/74/62/569657462.db2.gz DTTPGQFQHJAWGZ-UHFFFAOYSA-N 1 0 456.996 2.855 50 0 biogenic JFAARO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cc(F)cc(F)c2)cc1C ZINC000065074821 569657489 /nfs/dbraw/zinc/65/74/89/569657489.db2.gz NENQNQIXRISWNL-UHFFFAOYSA-N 1 0 462.566 2.896 50 0 biogenic JFAARO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)CC1 ZINC000065081384 569659968 /nfs/dbraw/zinc/65/99/68/569659968.db2.gz GISXKEOZWDBTQG-HXUWFJFHSA-N 1 0 481.670 2.761 50 0 JFAARO COc1cc(CN2CCn3nc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3C2=O)cc(OC)c1 ZINC000034830851 569664055 /nfs/dbraw/zinc/66/40/55/569664055.db2.gz AOFFITSDDOWUKU-UHFFFAOYSA-N 1 0 481.597 2.647 50 0 JFAARO CCOC(=O)CNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(C)C ZINC000034831372 569664130 /nfs/dbraw/zinc/66/41/30/569664130.db2.gz SYZFGMKAUKWRSR-UHFFFAOYSA-N 1 0 488.608 2.945 50 0 JFAARO O=C([C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065314149 569672288 /nfs/dbraw/zinc/67/22/88/569672288.db2.gz CSXPHFUSXOMSRU-QHCPKHFHSA-N 1 0 463.626 2.985 50 0 JFAARO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc(N2CCCC2)[nH+]1 ZINC000065363825 569675401 /nfs/dbraw/zinc/67/54/01/569675401.db2.gz FKTNUCNXFFVJIL-UHFFFAOYSA-N 1 0 455.506 2.915 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000035373753 569683802 /nfs/dbraw/zinc/68/38/02/569683802.db2.gz DDRILYNYXBELHE-UHFFFAOYSA-N 1 0 472.593 2.762 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)CC1 ZINC000035398560 569689040 /nfs/dbraw/zinc/68/90/40/569689040.db2.gz ZKDXHYOZCMVDOZ-UHFFFAOYSA-N 1 0 454.594 2.643 50 0 JFAARO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000068787638 569692209 /nfs/dbraw/zinc/69/22/09/569692209.db2.gz MKJDUPOXHMLGRV-QHCPKHFHSA-N 1 0 486.638 2.561 50 0 JFAARO CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000035428714 569694676 /nfs/dbraw/zinc/69/46/76/569694676.db2.gz JQIHTJLUMNQDLP-NRFANRHFSA-N 1 0 473.643 2.646 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCCC3)C2)c1C ZINC000035447528 569696147 /nfs/dbraw/zinc/69/61/47/569696147.db2.gz CGVJDULMVTZAIG-NRFANRHFSA-N 1 0 474.646 2.972 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000035447497 569696205 /nfs/dbraw/zinc/69/62/05/569696205.db2.gz STXSCVVDRZVWEY-GOSISDBHSA-N 1 0 474.646 2.970 50 0 JFAARO O=C(CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035514936 569698763 /nfs/dbraw/zinc/69/87/63/569698763.db2.gz AEDQQUKSZZUKKL-UHFFFAOYSA-N 1 0 484.670 2.987 50 0 JFAARO COc1ccc(CCN(C)CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)cc1OC ZINC000072277120 569701587 /nfs/dbraw/zinc/70/15/87/569701587.db2.gz RYLHMFFGKPNGOV-AREMUKBSSA-N 1 0 466.582 2.722 50 0 JFAARO C[NH+](C)CCNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000035559646 569703919 /nfs/dbraw/zinc/70/39/19/569703919.db2.gz GWMVUFCWKOOICD-FQEVSTJZSA-N 1 0 480.428 2.805 50 0 JFAARO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000084507185 569709222 /nfs/dbraw/zinc/70/92/22/569709222.db2.gz CHAJNFBEWSWLHL-CUWPLCDZSA-N 1 0 467.035 2.589 50 0 JFAARO O=C(CN1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000084519422 569709278 /nfs/dbraw/zinc/70/92/78/569709278.db2.gz XJNIFGJDYSWINP-QHCPKHFHSA-N 1 0 490.526 2.862 50 0 JFAARO COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@H](C(=O)NCC[NH+]1CCCC1)C2 ZINC000035871804 569719053 /nfs/dbraw/zinc/71/90/53/569719053.db2.gz KZGYIHURAUVCSF-RCZVLFRGSA-N 1 0 464.610 2.783 50 0 JFAARO CC(C)(CNC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000089761769 569719681 /nfs/dbraw/zinc/71/96/81/569719681.db2.gz MQFDRPPEILYHCA-UHFFFAOYSA-N 1 0 471.568 2.628 50 0 JFAARO O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095474946 569724126 /nfs/dbraw/zinc/72/41/26/569724126.db2.gz LCUIXFVQXVMBSK-QFIPXVFZSA-N 1 0 452.530 2.664 50 0 JFAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249736 569757904 /nfs/dbraw/zinc/75/79/04/569757904.db2.gz LHDDXPFSFBAXCS-RTWAWAEBSA-N 1 0 463.550 2.696 50 0 JFAARO O=C(NC[C@H]1CCCO1)c1cnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000036314117 569761811 /nfs/dbraw/zinc/76/18/11/569761811.db2.gz PPLCUYQOIWMHTH-JOCHJYFZSA-N 1 0 473.577 2.590 50 0 JFAARO O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000036386065 569774138 /nfs/dbraw/zinc/77/41/38/569774138.db2.gz NLYRQXSRDITENY-UHFFFAOYSA-N 1 0 483.059 2.942 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C2)cc1 ZINC000037205325 569781742 /nfs/dbraw/zinc/78/17/42/569781742.db2.gz ITTIWIKMQXEHGY-NQIIRXRSSA-N 1 0 461.584 2.642 50 0 JFAARO COc1ccc(S(=O)(=O)Oc2cc(CN(CC[NH+](C)C)C(=O)NC(C)C)ccc2OC)cc1 ZINC000037403244 569788509 /nfs/dbraw/zinc/78/85/09/569788509.db2.gz IJBXIQWXLVHALC-UHFFFAOYSA-N 1 0 479.599 2.953 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(OC)c3)cc21 ZINC000037511735 569791838 /nfs/dbraw/zinc/79/18/38/569791838.db2.gz TYVBVHVESFIIFN-GOSISDBHSA-N 1 0 483.565 2.529 50 0 JFAARO C[C@@H](C(=O)NCC[NH+]1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21 ZINC000037512285 569792027 /nfs/dbraw/zinc/79/20/27/569792027.db2.gz AOGFRAWUTHBQLS-IBGZPJMESA-N 1 0 465.550 2.664 50 0 JFAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)ccc1OC ZINC000040151660 569819835 /nfs/dbraw/zinc/81/98/35/569819835.db2.gz OHNJNYCCQXHUCE-UHFFFAOYSA-N 1 0 463.600 2.596 50 0 JFAARO CCCC[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450544 569828514 /nfs/dbraw/zinc/82/85/14/569828514.db2.gz MKHSZWVQMATDIH-UHFFFAOYSA-N 1 0 458.422 2.758 50 0 JFAARO O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+]3CCCCC3)cc21 ZINC000040450529 569828530 /nfs/dbraw/zinc/82/85/30/569828530.db2.gz LFSWXKMBYPKURK-UHFFFAOYSA-N 1 0 470.433 2.903 50 0 JFAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000104358814 569845297 /nfs/dbraw/zinc/84/52/97/569845297.db2.gz IZXZTGMTSDPFMU-HFZDXXHNSA-N 1 0 495.649 2.856 50 0 JFAARO C[C@@H](CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O)[NH+]1CCCC1 ZINC000106349048 569854080 /nfs/dbraw/zinc/85/40/80/569854080.db2.gz QWQJPIHZLNNRIS-REWPJTCUSA-N 1 0 481.641 2.619 50 0 JFAARO CCCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000107495499 569856422 /nfs/dbraw/zinc/85/64/22/569856422.db2.gz SAUIGLCLUQXKFC-XZOQPEGZSA-N 1 0 487.670 2.866 50 0 JFAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000107494325 569856427 /nfs/dbraw/zinc/85/64/27/569856427.db2.gz NOWQVHFJOCZEKT-DHIUTWEWSA-N 1 0 471.623 2.928 50 0 JFAARO COc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)N2CC[NH2+]CC2)cc1OC ZINC000108883071 569859745 /nfs/dbraw/zinc/85/97/45/569859745.db2.gz LCXRARWMVWIFSQ-AQTBWJFISA-N 1 0 474.355 2.669 50 0 JFAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000136639539 569864806 /nfs/dbraw/zinc/86/48/06/569864806.db2.gz ZAXCYTAEYWYOIT-FGFYRLLUSA-N 1 0 493.585 2.997 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COC ZINC000169680323 569870337 /nfs/dbraw/zinc/87/03/37/569870337.db2.gz RZKWYGFRZZVHSZ-XMSQKQJNSA-N 1 0 462.612 2.981 50 0 JFAARO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000225632676 570011006 /nfs/dbraw/zinc/01/10/06/570011006.db2.gz SUNXMYPVOFGLSP-INIZCTEOSA-N 1 0 450.001 2.528 50 0 JFAARO CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O ZINC000229889861 570041787 /nfs/dbraw/zinc/04/17/87/570041787.db2.gz NPPONKHEHCSPER-WXVAWEFUSA-N 1 0 490.560 2.526 50 0 JFAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241231178 570053225 /nfs/dbraw/zinc/05/32/25/570053225.db2.gz KSUWGHTXFKYVMY-REWPJTCUSA-N 1 0 499.633 2.906 50 0 JFAARO O=C(c1nc2ccccn2c1CN1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000244594117 570054159 /nfs/dbraw/zinc/05/41/59/570054159.db2.gz DGPZMAYQROQNPZ-QFIPXVFZSA-N 1 0 450.631 2.705 50 0 JFAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@]32c3ccccc3N(C)C2=O)cc1 ZINC000245235798 570056976 /nfs/dbraw/zinc/05/69/76/570056976.db2.gz NSMSESWCYLWENI-GGISIDAXSA-N 1 0 460.534 2.640 50 0 JFAARO CC1(C)CC(NC(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000245254565 570059715 /nfs/dbraw/zinc/05/97/15/570059715.db2.gz AFUQUSMAYNCIRO-KESTWPANSA-N 1 0 456.631 2.764 50 0 JFAARO COc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000245309422 570063006 /nfs/dbraw/zinc/06/30/06/570063006.db2.gz CRYMVZOZQSFNLZ-YIKPNSEUSA-N 1 0 482.334 2.889 50 0 JFAARO CCOC[C@H](O)C[N@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000245325565 570064279 /nfs/dbraw/zinc/06/42/79/570064279.db2.gz AWHYYLSIYFRKSG-NFBKMPQASA-N 1 0 476.639 2.989 50 0 JFAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247859778 570070197 /nfs/dbraw/zinc/07/01/97/570070197.db2.gz VWQFHLSYXDDIMQ-IPRDPGLQSA-N 1 0 465.893 2.558 50 0 JFAARO CN(CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000247919301 570071145 /nfs/dbraw/zinc/07/11/45/570071145.db2.gz BWNBJACJEBNPBA-DENIHFKCSA-N 1 0 450.366 2.788 50 0 JFAARO O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000253535685 570103525 /nfs/dbraw/zinc/10/35/25/570103525.db2.gz AZLAMAJGRJSGCD-VJBMBRPKSA-N 1 0 465.598 2.996 50 0 JFAARO O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253535890 570103562 /nfs/dbraw/zinc/10/35/62/570103562.db2.gz PZDJQUNSZMDEKQ-BVYCBKJFSA-N 1 0 451.571 2.606 50 0 JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(CCc2ccccc2OC)C1 ZINC000263585741 570171148 /nfs/dbraw/zinc/17/11/48/570171148.db2.gz LYPXMBUEQOSGCI-KMDXXIMOSA-N 1 0 471.642 2.826 50 0 biogenic JFAARO COc1ccccc1[C@@]1(CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC(=O)N(C)C1=O ZINC000299758066 570174338 /nfs/dbraw/zinc/17/43/38/570174338.db2.gz AJCZBDPBMBUMEY-DEOSSOPVSA-N 1 0 455.580 2.508 50 0 JFAARO COc1ccc([C@@]2(CC(=O)N(C)C[C@H]3CC[N@H+](CC(C)C)C3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000299771566 570175753 /nfs/dbraw/zinc/17/57/53/570175753.db2.gz QYUPJIHYOKRQEZ-NIYFSFCBSA-N 1 0 455.599 2.681 50 0 JFAARO CCOC(=O)c1ccc(C[NH2+]C2CCN(c3nc(C)c4ccc(S(C)(=O)=O)cc4n3)CC2)o1 ZINC000299771209 570175756 /nfs/dbraw/zinc/17/57/56/570175756.db2.gz WRLUCGVTSSCLJV-UHFFFAOYSA-N 1 0 472.567 2.870 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000299780455 570176499 /nfs/dbraw/zinc/17/64/99/570176499.db2.gz AKFHFDXZPJGPSH-IBGZPJMESA-N 1 0 456.587 2.619 50 0 JFAARO CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCC[NH+](C)C)cc1 ZINC000003670432 194358069 /nfs/dbraw/zinc/35/80/69/194358069.db2.gz ZCEHCNJKCHFZJE-OAQYLSRUSA-N 1 0 477.359 2.723 50 0 JFAARO COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+](C)C)c1 ZINC000003670622 194358594 /nfs/dbraw/zinc/35/85/94/194358594.db2.gz IXZXBVMNFFIAON-NRFANRHFSA-N 1 0 477.359 2.723 50 0 JFAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCNc3ccc(S(=O)(=O)CC)cc3)C2=O)cc1 ZINC000004058190 194373531 /nfs/dbraw/zinc/37/35/31/194373531.db2.gz VDCZKNKYGSOCFS-OAQYLSRUSA-N 1 0 459.568 2.603 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000009754769 194945771 /nfs/dbraw/zinc/94/57/71/194945771.db2.gz BFVCBIMBDUKQGM-UHFFFAOYSA-N 1 0 492.667 2.859 50 0 JFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009870496 195005726 /nfs/dbraw/zinc/00/57/26/195005726.db2.gz VYTMIHRAVMYCEC-LEWJYISDSA-N 1 0 490.670 2.758 50 0 JFAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000009933878 195026075 /nfs/dbraw/zinc/02/60/75/195026075.db2.gz PPLCSHHYLQHTJV-HSZRJFAPSA-N 1 0 471.598 2.710 50 0 JFAARO COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000012891496 195173006 /nfs/dbraw/zinc/17/30/06/195173006.db2.gz MHXNSPBGLHSZAZ-GOTSBHOMSA-N 1 0 475.586 2.941 50 0 JFAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012892136 195173613 /nfs/dbraw/zinc/17/36/13/195173613.db2.gz CVQZJDYGYFZJEN-OAQYLSRUSA-N 1 0 478.014 2.928 50 0 JFAARO CCOC(=O)C1CC[NH+]([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000020604641 195180627 /nfs/dbraw/zinc/18/06/27/195180627.db2.gz BWSGNBLGKQUDLR-HSZRJFAPSA-N 1 0 458.555 2.882 50 0 JFAARO CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[NH+]4CCCCC4)c3c2)CC1 ZINC000020682191 195204071 /nfs/dbraw/zinc/20/40/71/195204071.db2.gz UAPILTQMKYCCDY-UHFFFAOYSA-N 1 0 474.627 2.555 50 0 JFAARO COc1ccc(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)cc1OC ZINC000020815703 195229265 /nfs/dbraw/zinc/22/92/65/195229265.db2.gz YGMRFBFTRQCLMX-HEHNFIMWSA-N 1 0 451.523 2.544 50 0 JFAARO Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCCC[NH+]4CCC(C)CC4)nnc3c2=O)c1 ZINC000020848583 195230629 /nfs/dbraw/zinc/23/06/29/195230629.db2.gz BOXBGNPWWFVYMY-UHFFFAOYSA-N 1 0 450.587 2.668 50 0 JFAARO CN1CCN(C(=O)CCCc2cn(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c3ccccc23)CC1 ZINC000020759976 195217313 /nfs/dbraw/zinc/21/73/13/195217313.db2.gz MRTBIIFCQDOGCZ-LADGPHEKSA-N 1 0 487.648 2.977 50 0 biogenic JFAARO CCOc1cc(C[N@H+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)ccc1OC ZINC000020778328 195224047 /nfs/dbraw/zinc/22/40/47/195224047.db2.gz UQFMGFAMMLJEAB-UHFFFAOYSA-N 1 0 453.543 2.884 50 0 JFAARO Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 ZINC000020777480 195224218 /nfs/dbraw/zinc/22/42/18/195224218.db2.gz JFQQNSZKJKEOAL-KRWDZBQOSA-N 1 0 483.594 2.704 50 0 JFAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000020920290 195247689 /nfs/dbraw/zinc/24/76/89/195247689.db2.gz UBZCYHBEFBFEDZ-UHFFFAOYSA-N 1 0 451.546 2.776 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)c2ccc(-c3nc(CS(=O)(=O)c4ccccc4)c(C)o3)cc2)CC1 ZINC000020935084 195252450 /nfs/dbraw/zinc/25/24/50/195252450.db2.gz TYCFNWCAJXEZGB-UHFFFAOYSA-N 1 0 496.633 2.991 50 0 JFAARO O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021097004 195275555 /nfs/dbraw/zinc/27/55/55/195275555.db2.gz NUJSSSIBUSUJSH-UHFFFAOYSA-N 1 0 468.579 2.757 50 0 JFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000021535283 195311191 /nfs/dbraw/zinc/31/11/91/195311191.db2.gz LJUPDOBTTLTEDT-UHFFFAOYSA-N 1 0 471.675 2.999 50 0 JFAARO CCC[C@@H](C)[N@@H+]1Cc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2C1 ZINC000058330716 195378000 /nfs/dbraw/zinc/37/80/00/195378000.db2.gz APLOVBYWLZLFTN-QGZVFWFLSA-N 1 0 470.595 2.564 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)[NH+]2CCCC2)cc1 ZINC000021912128 195330402 /nfs/dbraw/zinc/33/04/02/195330402.db2.gz WQGCURGSGNOCSX-DEOSSOPVSA-N 1 0 462.550 2.898 50 0 JFAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000058014673 195362544 /nfs/dbraw/zinc/36/25/44/195362544.db2.gz XUEGHNFIFNAFNU-UHFFFAOYSA-N 1 0 471.608 2.692 50 0 JFAARO O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058173794 195371350 /nfs/dbraw/zinc/37/13/50/195371350.db2.gz ILLQNNMBXPGEQI-UHFFFAOYSA-N 1 0 461.566 2.812 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000058218805 195374155 /nfs/dbraw/zinc/37/41/55/195374155.db2.gz IMGRHYGUGBKSGT-DZFGPLHGSA-N 1 0 460.600 2.644 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033067 519731615 /nfs/dbraw/zinc/73/16/15/519731615.db2.gz TVFULXQGFLEATF-SFHVURJKSA-N 1 0 499.637 2.728 50 0 JFAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)CC1 ZINC000033263262 519856250 /nfs/dbraw/zinc/85/62/50/519856250.db2.gz YVLVGFRUIAAOGB-GOSISDBHSA-N 1 0 484.626 2.505 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)CC1 ZINC000035398634 519858023 /nfs/dbraw/zinc/85/80/23/519858023.db2.gz PJWMKQFBWUNPSJ-UHFFFAOYSA-N 1 0 454.594 2.643 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)[C@H](CC)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064971081 519858142 /nfs/dbraw/zinc/85/81/42/519858142.db2.gz JSXUOHGMMDMWEW-QHCPKHFHSA-N 1 0 493.656 2.684 50 0 JFAARO CCN(CC)C(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)cnc1N1CC[NH2+]CC1 ZINC000035514054 520545455 /nfs/dbraw/zinc/54/54/55/520545455.db2.gz NUEVHGJGUVJYLG-UHFFFAOYSA-N 1 0 459.616 2.699 50 0 JFAARO CC[NH+](CC)CCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008614234 520667326 /nfs/dbraw/zinc/66/73/26/520667326.db2.gz AXXKPBPGFJCMFL-UHFFFAOYSA-N 1 0 462.598 2.973 50 0 JFAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1 ZINC000004111242 520691681 /nfs/dbraw/zinc/69/16/81/520691681.db2.gz FQIGVWHVMGPNFE-UHFFFAOYSA-N 1 0 492.576 2.645 50 0 JFAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+]CCOc4cccnc4)CC3)cc2)CC1 ZINC000012245758 520949080 /nfs/dbraw/zinc/94/90/80/520949080.db2.gz IRKXJPFPNQOWCE-UHFFFAOYSA-N 1 0 481.597 2.633 50 0 JFAARO CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000064971720 521080185 /nfs/dbraw/zinc/08/01/85/521080185.db2.gz CHOVXFDYAOPMBB-UHFFFAOYSA-N 1 0 465.554 2.682 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCC[C@@H](C)[NH+]3CCCC3)CC2)c1C ZINC000046046319 521364615 /nfs/dbraw/zinc/36/46/15/521364615.db2.gz IBTFWHNNJCREQV-GOSISDBHSA-N 1 0 474.646 2.970 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCC[NH+](CC)CC)C2)c1C ZINC000046046372 521366964 /nfs/dbraw/zinc/36/69/64/521366964.db2.gz GSNHCZHPXALUGB-FQEVSTJZSA-N 1 0 462.635 2.828 50 0 JFAARO CCOC(=O)c1c(C)c(CCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n(C)c1C ZINC000064970599 521392398 /nfs/dbraw/zinc/39/23/98/521392398.db2.gz IADBYEKBPMNTLF-UHFFFAOYSA-N 1 0 454.615 2.685 50 0 JFAARO CC[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000022784449 521695030 /nfs/dbraw/zinc/69/50/30/521695030.db2.gz PUHATTDVSLJAFC-LJQANCHMSA-N 1 0 453.406 2.501 50 0 JFAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)n1 ZINC000036065873 521787614 /nfs/dbraw/zinc/78/76/14/521787614.db2.gz OKDCTPSPUNMTFS-UHFFFAOYSA-N 1 0 480.521 2.626 50 0 JFAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000014967702 521890113 /nfs/dbraw/zinc/89/01/13/521890113.db2.gz CQCBJEDHNZYZRR-QGZVFWFLSA-N 1 0 459.593 2.707 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000022682596 522070873 /nfs/dbraw/zinc/07/08/73/522070873.db2.gz GMHKVCOYFJMHDR-GOSISDBHSA-N 1 0 477.480 2.812 50 0 JFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)[N@@H+](C3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000014957337 522326008 /nfs/dbraw/zinc/32/60/08/522326008.db2.gz YLNUPLWNZMBDOX-IPUGHZNASA-N 1 0 469.611 2.883 50 0 JFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@H+](CC3CCCCC3)C2)nn1 ZINC000014979036 522326649 /nfs/dbraw/zinc/32/66/49/522326649.db2.gz WLDUXOHGFLUNDP-IRLDBZIGSA-N 1 0 457.550 2.758 50 0 JFAARO CCc1nn(CC(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)c(=O)c2cc3sccc3n21 ZINC000022939000 522701198 /nfs/dbraw/zinc/70/11/98/522701198.db2.gz CCLQWBVPFZKMGT-UHFFFAOYSA-N 1 0 484.670 2.730 50 0 JFAARO COc1cc2nc(CSCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]c(=O)c2cc1OC ZINC000043746982 523067548 /nfs/dbraw/zinc/06/75/48/523067548.db2.gz LCVVTZARYONMQS-YJBOKZPZSA-N 1 0 460.600 2.554 50 0 JFAARO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1=O ZINC000022619517 523107245 /nfs/dbraw/zinc/10/72/45/523107245.db2.gz VQIZQLQILFHPJP-NRFANRHFSA-N 1 0 454.958 2.790 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000014733415 523170863 /nfs/dbraw/zinc/17/08/63/523170863.db2.gz LHLXMRGKRPKRTA-UHFFFAOYSA-N 1 0 465.550 2.710 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@@H](O)COC ZINC000036309043 523237204 /nfs/dbraw/zinc/23/72/04/523237204.db2.gz SWKOKIGVCWQFIP-KNQAVFIVSA-N 1 0 462.612 2.599 50 0 JFAARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014742949 523290053 /nfs/dbraw/zinc/29/00/53/523290053.db2.gz HYMJKLVTYNVQEW-UHFFFAOYSA-N 1 0 452.555 2.926 50 0 JFAARO COc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000017793945 523709151 /nfs/dbraw/zinc/70/91/51/523709151.db2.gz LJXQVJMMWLLIPI-NRFANRHFSA-N 1 0 459.612 2.819 50 0 JFAARO C[NH+]1CCN(CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)CC1 ZINC000021864123 523897255 /nfs/dbraw/zinc/89/72/55/523897255.db2.gz LAAYQZYUJSYGLU-SANMLTNESA-N 1 0 467.614 2.659 50 0 JFAARO COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033121238 523921699 /nfs/dbraw/zinc/92/16/99/523921699.db2.gz JDYARPQLFHOZNZ-UHFFFAOYSA-N 1 0 474.627 2.571 50 0 JFAARO COc1ccc(CC[NH+]2CCC(CNS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1 ZINC000033077212 523949000 /nfs/dbraw/zinc/94/90/00/523949000.db2.gz CYDAUVPYLMESHX-UHFFFAOYSA-N 1 0 455.580 2.770 50 0 JFAARO COc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c(OC)c1OC ZINC000014883333 524025657 /nfs/dbraw/zinc/02/56/57/524025657.db2.gz BRYYNGIDLYCSHI-LJQANCHMSA-N 1 0 472.586 2.698 50 0 JFAARO COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H]([NH2+]Cc4nc(-c5ccc(F)cc5)cs4)CN3C2=O)cc1 ZINC000014750085 524143080 /nfs/dbraw/zinc/14/30/80/524143080.db2.gz IGYJWOCRFDXHDP-VCOUNFBDSA-N 1 0 480.565 2.758 50 0 JFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3nn(-c4ccc(Cl)cc4)c(=O)n(C)c3=O)CC2)cc1 ZINC000064966890 524438602 /nfs/dbraw/zinc/43/86/02/524438602.db2.gz MMXDLMKVAPVPEO-UHFFFAOYSA-N 1 0 481.984 2.535 50 0 JFAARO COc1ccccc1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1 ZINC000045966555 524440296 /nfs/dbraw/zinc/44/02/96/524440296.db2.gz TYZSFKCMEXDYLV-UHFFFAOYSA-N 1 0 460.372 2.922 50 0 JFAARO COc1ccccc1C[NH+]1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 ZINC000012204495 524450041 /nfs/dbraw/zinc/45/00/41/524450041.db2.gz PNLXDXLEGHIFOV-HFZDXXHNSA-N 1 0 464.566 2.929 50 0 JFAARO COc1ccccc1CNC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000020403509 524478805 /nfs/dbraw/zinc/47/88/05/524478805.db2.gz TWLUTHNOGHJNOM-UHFFFAOYSA-N 1 0 474.565 2.828 50 0 JFAARO Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)nc3cccnc32)cc1 ZINC000033259163 524764009 /nfs/dbraw/zinc/76/40/09/524764009.db2.gz UFWQPPASISJGAM-UHFFFAOYSA-N 1 0 474.609 2.577 50 0 JFAARO COc1ccc(OC)c(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)c1 ZINC000020503395 524843024 /nfs/dbraw/zinc/84/30/24/524843024.db2.gz NYHHYOZPNKAVPM-HEHNFIMWSA-N 1 0 451.523 2.544 50 0 JFAARO Cc1ccc(N2CC[NH+]([C@H]3CCc4c(c(C(=O)N5CCSCC5)nn4C)C3)CC2)c(C)c1 ZINC000014747210 524965201 /nfs/dbraw/zinc/96/52/01/524965201.db2.gz AXIVXDDOABIVHF-FQEVSTJZSA-N 1 0 453.656 2.905 50 0 JFAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2)C1 ZINC000023257875 525387369 /nfs/dbraw/zinc/38/73/69/525387369.db2.gz JPCKFZXZSRBKHR-BGYRXZFFSA-N 1 0 497.105 2.860 50 0 JFAARO Cc1c(C(=O)N(CCCN2CCOCC2)Cc2ccco2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033266107 525563394 /nfs/dbraw/zinc/56/33/94/525563394.db2.gz OEYOPHAARWGZGI-UHFFFAOYSA-N 1 0 498.653 2.709 50 0 JFAARO Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000021532787 525663166 /nfs/dbraw/zinc/66/31/66/525663166.db2.gz JBLVOHQMDJTBLC-UHFFFAOYSA-N 1 0 473.021 2.690 50 0 JFAARO COc1cccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)c1 ZINC000021730797 525744161 /nfs/dbraw/zinc/74/41/61/525744161.db2.gz UMOXRXZALGGPIJ-UHFFFAOYSA-N 1 0 481.622 2.884 50 0 JFAARO Cc1ccc(-c2ccc(NCCCN3CC[NH+](C)CC3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009321 525754867 /nfs/dbraw/zinc/75/48/67/525754867.db2.gz HHAROPDWQVVJMJ-UHFFFAOYSA-N 1 0 472.659 2.676 50 0 JFAARO Cc1c(N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258767 525822706 /nfs/dbraw/zinc/82/27/06/525822706.db2.gz PXPHQFIFODIAMV-UHFFFAOYSA-N 1 0 493.652 2.538 50 0 JFAARO COc1cccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N3CCCCCC3)c2)c1 ZINC000033121332 526244292 /nfs/dbraw/zinc/24/42/92/526244292.db2.gz AJEQYMAMLVEADK-UHFFFAOYSA-N 1 0 472.611 2.922 50 0 JFAARO C[C@H]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(F)cc3)c2)C1 ZINC000033032959 526267055 /nfs/dbraw/zinc/26/70/55/526267055.db2.gz NSWAEWGDLYQXCN-KRWDZBQOSA-N 1 0 460.575 2.908 50 0 JFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000033045208 526313179 /nfs/dbraw/zinc/31/31/79/526313179.db2.gz YGHVTIQMDUAIFF-OAQYLSRUSA-N 1 0 464.639 2.842 50 0 JFAARO O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000033254518 526368312 /nfs/dbraw/zinc/36/83/12/526368312.db2.gz GMVOMFOWKCYFBA-UHFFFAOYSA-N 1 0 490.714 2.934 50 0 JFAARO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000033262235 526468722 /nfs/dbraw/zinc/46/87/22/526468722.db2.gz DIKWOAJRXSDRFQ-GOSISDBHSA-N 1 0 475.615 2.547 50 0 JFAARO O=C(NC[C@@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccc(F)c1 ZINC000020485882 526492986 /nfs/dbraw/zinc/49/29/86/526492986.db2.gz MOQRPGJMIVYCSR-DEOSSOPVSA-N 1 0 461.541 2.835 50 0 JFAARO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000033262236 526537810 /nfs/dbraw/zinc/53/78/10/526537810.db2.gz DIKWOAJRXSDRFQ-SFHVURJKSA-N 1 0 475.615 2.547 50 0 JFAARO O=C(CC[C@H]1C[N@H+](Cc2ccncc2)CC[C@H]1N1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000020453545 526574557 /nfs/dbraw/zinc/57/45/57/526574557.db2.gz GPLDYOVHFFDAST-AHKZPQOWSA-N 1 0 477.653 2.733 50 0 JFAARO O=C(NC[C@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033033730 526600723 /nfs/dbraw/zinc/60/07/23/526600723.db2.gz WKFSLVSPIFKACH-MRXNPFEDSA-N 1 0 496.992 2.598 50 0 JFAARO O=C(CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000022791260 526770742 /nfs/dbraw/zinc/77/07/42/526770742.db2.gz VMDHOPCOLUCWFW-UHFFFAOYSA-N 1 0 473.637 2.687 50 0 JFAARO O=C(CN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC000014994602 526823523 /nfs/dbraw/zinc/82/35/23/526823523.db2.gz UFNUYIPKNNARFQ-VWLOTQADSA-N 1 0 480.584 2.574 50 0 JFAARO Cc1nc(N2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000012470288 526962551 /nfs/dbraw/zinc/96/25/51/526962551.db2.gz TYSBOPAKJUITSV-GOSISDBHSA-N 1 0 468.579 2.740 50 0 JFAARO Cn1c(=O)c(N2CCC(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)nc2cccnc21 ZINC000033259094 527022803 /nfs/dbraw/zinc/02/28/03/527022803.db2.gz ACBVJMXCUNFRKQ-UHFFFAOYSA-N 1 0 488.636 2.616 50 0 JFAARO O=CN1CCC[N@@H+]([C@H]2CCc3c(sc4ncn(CCc5ccccc5F)c(=O)c34)C2)CC1 ZINC000014991063 527141453 /nfs/dbraw/zinc/14/14/53/527141453.db2.gz UHYGZGZACAGOAR-SFHVURJKSA-N 1 0 454.571 2.861 50 0 JFAARO NS(=O)(=O)c1cccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000021822133 527320879 /nfs/dbraw/zinc/32/08/79/527320879.db2.gz XREHAMUUESLXMK-UHFFFAOYSA-N 1 0 464.591 2.680 50 0 JFAARO O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020489572 527351058 /nfs/dbraw/zinc/35/10/58/527351058.db2.gz UKZFMKRKKHNGSN-UHFFFAOYSA-N 1 0 457.578 2.578 50 0 JFAARO O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCC3)C2)s1 ZINC000033263448 527399905 /nfs/dbraw/zinc/39/99/05/527399905.db2.gz KPVDOTNUWXGSSX-GOSISDBHSA-N 1 0 484.626 2.635 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000019741961 527457677 /nfs/dbraw/zinc/45/76/77/527457677.db2.gz QILCIAGMJZFFIU-GOSISDBHSA-N 1 0 460.550 2.716 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c(=O)[nH]c3cccnc32)cc1 ZINC000021881804 527530422 /nfs/dbraw/zinc/53/04/22/527530422.db2.gz OYMGIOMEHKMETQ-UHFFFAOYSA-N 1 0 469.545 2.528 50 0 JFAARO Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC000014746318 527546849 /nfs/dbraw/zinc/54/68/49/527546849.db2.gz APEAXSROOLSDKX-JOCHJYFZSA-N 1 0 459.594 2.940 50 0 JFAARO O=C(NCCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008661326 527664641 /nfs/dbraw/zinc/66/46/41/527664641.db2.gz WZKABSNFTCQHQQ-UHFFFAOYSA-N 1 0 474.627 2.699 50 0 JFAARO CCCNC(=O)c1ccccc1N1CC[NH+](CCCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 ZINC000002183610 554081508 /nfs/dbraw/zinc/08/15/08/554081508.db2.gz MAPLINZMAAZKRZ-QFIPXVFZSA-N 1 0 455.603 2.545 50 0 JFAARO Cn1c2nc(SCC[NH+]3CCCCC3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000005360249 554489013 /nfs/dbraw/zinc/48/90/13/554489013.db2.gz NVYQUGIVLREPHP-UHFFFAOYSA-N 1 0 478.416 2.812 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000006578021 554553866 /nfs/dbraw/zinc/55/38/66/554553866.db2.gz SKPMEIVQFRDGDO-UHFFFAOYSA-N 1 0 476.643 2.563 50 0 aggregator JFAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008755491 554657416 /nfs/dbraw/zinc/65/74/16/554657416.db2.gz VXTBOKNSSSTTQL-SIKLNZKXSA-N 1 0 485.606 2.516 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC(C(=O)N4CCCCCC4)CC3)cc2)CC1 ZINC000008779815 554677079 /nfs/dbraw/zinc/67/70/79/554677079.db2.gz PQYMULWAMXFBHJ-UHFFFAOYSA-N 1 0 455.647 2.882 50 0 JFAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[NH+]4CCCCCC4)c3c2)C1 ZINC000008811286 554692343 /nfs/dbraw/zinc/69/23/43/554692343.db2.gz BRGHVKHLQWITFB-LJQANCHMSA-N 1 0 488.654 2.945 50 0 JFAARO CC1CC[NH+](CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4)cc32)CC1 ZINC000008811515 554692509 /nfs/dbraw/zinc/69/25/09/554692509.db2.gz FENYPGVAKMQFCX-UHFFFAOYSA-N 1 0 474.627 2.555 50 0 JFAARO COc1ccc(-n2nnnc2SCC(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000008867832 554761501 /nfs/dbraw/zinc/76/15/01/554761501.db2.gz MFOMDGQAIVKJQL-FPOVZHCZSA-N 1 0 450.568 2.906 50 0 JFAARO COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+](C)C)CC(=O)N32)c1 ZINC000008917812 554813260 /nfs/dbraw/zinc/81/32/60/554813260.db2.gz IJHKUZDYCSIZBQ-NVQXNPDNSA-N 1 0 476.577 2.822 50 0 biogenic JFAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)N(CC[NH+](C)C)C1=O ZINC000008995699 554856398 /nfs/dbraw/zinc/85/63/98/554856398.db2.gz ZBYYNRKNOOIEQV-OAQYLSRUSA-N 1 0 468.506 2.934 50 0 JFAARO C[C@H]1Cn2c3c(nc2N(c2ccc(Cl)cc2)C1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000009156876 554946526 /nfs/dbraw/zinc/94/65/26/554946526.db2.gz QPNARAVSLXGYJZ-MRXNPFEDSA-N 1 0 456.978 2.824 50 0 JFAARO C[NH+](C)CCN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4ON=C(c5ccc(OCc6ccccc6)cc5)[C@@H]34)[C@@H]2C1=O ZINC000009187413 554959916 /nfs/dbraw/zinc/95/99/16/554959916.db2.gz DLAVRKXNNVLZCB-SYQKRSDNSA-N 1 0 459.546 2.797 50 0 JFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009224320 554995915 /nfs/dbraw/zinc/99/59/15/554995915.db2.gz YUJRCRBKHYXZJS-OAQYLSRUSA-N 1 0 463.003 2.884 50 0 JFAARO CCCC[N@H+](C)CCNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009226027 554998593 /nfs/dbraw/zinc/99/85/93/554998593.db2.gz VQERMCJQBGDCRQ-UHFFFAOYSA-N 1 0 459.591 2.814 50 0 JFAARO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009225997 554998626 /nfs/dbraw/zinc/99/86/26/554998626.db2.gz INAOCYDZUIBTPP-UHFFFAOYSA-N 1 0 459.591 2.814 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000009252988 555028214 /nfs/dbraw/zinc/02/82/14/555028214.db2.gz HCIOYYUACOXVCD-DUBGADTFSA-N 1 0 466.401 2.721 50 0 JFAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)nc(C)n3n2)cc1 ZINC000009287474 555060863 /nfs/dbraw/zinc/06/08/63/555060863.db2.gz BZVHERJNJXGFHV-OALUTQOASA-N 1 0 464.614 2.913 50 0 JFAARO CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCC[NH+]2CCCC2)c1C ZINC000009408594 555171375 /nfs/dbraw/zinc/17/13/75/555171375.db2.gz DJCFPFLYYNUGEZ-UHFFFAOYSA-N 1 0 451.571 2.645 50 0 JFAARO O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000009414919 555182221 /nfs/dbraw/zinc/18/22/21/555182221.db2.gz DAFFXKFXEYOLQE-UHFFFAOYSA-N 1 0 480.546 2.616 50 0 JFAARO O=C(CCc1nnc2ccc(N3CCCC3)nn21)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009431016 555199405 /nfs/dbraw/zinc/19/94/05/555199405.db2.gz JZLZBKWRSMGZMW-UHFFFAOYSA-N 1 0 465.577 2.825 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000009635545 555342916 /nfs/dbraw/zinc/34/29/16/555342916.db2.gz BREVKDUUFQJSDM-UHFFFAOYSA-N 1 0 454.955 2.734 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000009640871 555351474 /nfs/dbraw/zinc/35/14/74/555351474.db2.gz JQQLLKFCIQJJLF-UHFFFAOYSA-N 1 0 471.623 2.552 50 0 JFAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Br)cc2)CC1 ZINC000009714474 555443470 /nfs/dbraw/zinc/44/34/70/555443470.db2.gz BIEOVOGMXJDUAC-UHFFFAOYSA-N 1 0 489.418 2.546 50 0 JFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccccc3I)CC2)n1 ZINC000009620351 555456528 /nfs/dbraw/zinc/45/65/28/555456528.db2.gz ZFLMJEBLWSGKIL-UHFFFAOYSA-N 1 0 451.312 2.784 50 0 JFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cccc(I)c3)CC2)n1 ZINC000009620430 555456658 /nfs/dbraw/zinc/45/66/58/555456658.db2.gz ZPKNIZRHGIMCKN-UHFFFAOYSA-N 1 0 451.312 2.784 50 0 JFAARO Cc1nn(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727566 555461425 /nfs/dbraw/zinc/46/14/25/555461425.db2.gz FNFRWGOCXJQBAJ-UHFFFAOYSA-N 1 0 456.550 2.647 50 0 JFAARO CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1 ZINC000009747922 555479841 /nfs/dbraw/zinc/47/98/41/555479841.db2.gz PTQLETDIFJNJQL-UHFFFAOYSA-N 1 0 457.600 2.763 50 0 JFAARO COc1cc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc(OC)c1O ZINC000009763254 555488623 /nfs/dbraw/zinc/48/86/23/555488623.db2.gz VTYMRIZSHMBCPP-UHFFFAOYSA-N 1 0 497.592 2.695 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000013554301 555493265 /nfs/dbraw/zinc/49/32/65/555493265.db2.gz JLCKGBJATVXWHP-MSZDEVHKSA-N 1 0 463.509 2.827 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000013575019 555513635 /nfs/dbraw/zinc/51/36/35/555513635.db2.gz HPPFOODLIUSOOA-OYSWMMLKSA-N 1 0 497.979 2.976 50 0 JFAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000009805591 555517788 /nfs/dbraw/zinc/51/77/88/555517788.db2.gz VGTLVGOKNSTVHO-JOCHJYFZSA-N 1 0 456.974 2.782 50 0 JFAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009818947 555522942 /nfs/dbraw/zinc/52/29/42/555522942.db2.gz IJGVTSCFSJNAQP-IBGZPJMESA-N 1 0 491.635 2.579 50 0 JFAARO C[N@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)Cc1ccccc1 ZINC000009838245 555542636 /nfs/dbraw/zinc/54/26/36/555542636.db2.gz KFJPSJVCCNEAHD-LJQANCHMSA-N 1 0 487.651 2.730 50 0 JFAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114290 555652206 /nfs/dbraw/zinc/65/22/06/555652206.db2.gz RRMDOQYJSUVKBK-JWQCQUIFSA-N 1 0 498.599 2.507 50 0 JFAARO O=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020137226 555661040 /nfs/dbraw/zinc/66/10/40/555661040.db2.gz DNYQUYCSOGTSOR-UHFFFAOYSA-N 1 0 486.457 2.960 50 0 JFAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000020138328 555661787 /nfs/dbraw/zinc/66/17/87/555661787.db2.gz YGXINFVBJGOGRL-UHFFFAOYSA-N 1 0 488.636 2.693 50 0 JFAARO Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014021208 555672943 /nfs/dbraw/zinc/67/29/43/555672943.db2.gz VZLDRHVKPARGRA-FQEVSTJZSA-N 1 0 450.568 2.550 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC000014043243 555674687 /nfs/dbraw/zinc/67/46/87/555674687.db2.gz MLWSCQLRSJXTRS-IBGZPJMESA-N 1 0 482.606 2.563 50 0 JFAARO O=S(=O)(c1ccc(Cl)c(NC(=S)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)N1CCOCC1 ZINC000014118800 555693666 /nfs/dbraw/zinc/69/36/66/555693666.db2.gz JCGSXJRNERILMH-SFHVURJKSA-N 1 0 495.070 2.922 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000014183602 555725038 /nfs/dbraw/zinc/72/50/38/555725038.db2.gz XGVCDKGVRMBFEA-DHLKQENFSA-N 1 0 466.538 2.633 50 0 JFAARO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O ZINC000014235314 555739063 /nfs/dbraw/zinc/73/90/63/555739063.db2.gz ZIOIERCNVNBCJW-MHZLTWQESA-N 1 0 456.546 2.951 50 0 JFAARO COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000014246485 555749434 /nfs/dbraw/zinc/74/94/34/555749434.db2.gz DSFMIKYFBLXKCQ-DNQXCXABSA-N 1 0 487.622 2.810 50 0 JFAARO COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000014246484 555749449 /nfs/dbraw/zinc/74/94/49/555749449.db2.gz DSFMIKYFBLXKCQ-ZEQRLZLVSA-N 1 0 487.622 2.810 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000014246841 555750034 /nfs/dbraw/zinc/75/00/34/555750034.db2.gz HFKFBETZZAFABV-SFHVURJKSA-N 1 0 466.629 2.707 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020288975 555758897 /nfs/dbraw/zinc/75/88/97/555758897.db2.gz FLODDTSRULRJLR-XXBNENTESA-N 1 0 489.661 2.713 50 0 JFAARO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCC[NH+]1CCCC1)c1ccc(C(C)C)cc1 ZINC000020323170 555771404 /nfs/dbraw/zinc/77/14/04/555771404.db2.gz ABXZPUIQRGZAOD-UHFFFAOYSA-N 1 0 461.632 2.568 50 0 JFAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020324079 555772034 /nfs/dbraw/zinc/77/20/34/555772034.db2.gz WXGGCLKFICWVAV-UHFFFAOYSA-N 1 0 494.548 2.838 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000011557441 555787268 /nfs/dbraw/zinc/78/72/68/555787268.db2.gz BXCOHDKVBJNNPT-UHFFFAOYSA-N 1 0 453.543 2.764 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)C1=O ZINC000014531781 555819277 /nfs/dbraw/zinc/81/92/77/555819277.db2.gz YHWQBAVRFIBLPR-UHFFFAOYSA-N 1 0 495.576 2.718 50 0 JFAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(OCCO)cc3)CC2)C1=O ZINC000014532350 555819868 /nfs/dbraw/zinc/81/98/68/555819868.db2.gz XXAZINQLPUEJEC-UHFFFAOYSA-N 1 0 451.567 2.919 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566793 555820518 /nfs/dbraw/zinc/82/05/18/555820518.db2.gz RBNLYMOUHXHXMX-FLFXDLLNSA-N 1 0 498.377 2.916 50 0 JFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@@H](C)CCn1cccn1)CC2 ZINC000014532664 555820660 /nfs/dbraw/zinc/82/06/60/555820660.db2.gz BEGAMYMJKRCHCJ-FQEVSTJZSA-N 1 0 469.586 2.616 50 0 JFAARO CC[C@H](C)C(=O)N1CCC([C@]2(Cc3ccccc3)NC(=O)N(CC[NH+]3CCCC3)C2=O)CC1 ZINC000011814909 555829919 /nfs/dbraw/zinc/82/99/19/555829919.db2.gz XNRUHCWDIVQPKV-FNZWTVRRSA-N 1 0 454.615 2.900 50 0 JFAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)CC2 ZINC000011814731 555829940 /nfs/dbraw/zinc/82/99/40/555829940.db2.gz AYZCEWQAIULGEQ-SQUSKLHYSA-N 1 0 473.021 2.795 50 0 JFAARO Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccc3nccnc3c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011816184 555830912 /nfs/dbraw/zinc/83/09/12/555830912.db2.gz CHBNNNMWQCGZBJ-HHHXNRCGSA-N 1 0 473.577 2.545 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccc(OC)c3)CC2)C1=O ZINC000014543239 555834367 /nfs/dbraw/zinc/83/43/67/555834367.db2.gz HGJFBPYRVPRCPS-UHFFFAOYSA-N 1 0 465.550 2.710 50 0 JFAARO CC(C)CC[C@@]1(C2CCN(C(=O)CSc3ccccn3)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000011881874 555850373 /nfs/dbraw/zinc/85/03/73/555850373.db2.gz KNNZXTKPEIUBQQ-DEOSSOPVSA-N 1 0 475.659 2.701 50 0 JFAARO COCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2)C(C)C ZINC000011909601 555856792 /nfs/dbraw/zinc/85/67/92/555856792.db2.gz VEKUVNYRVYGHIV-OAQYLSRUSA-N 1 0 454.600 2.920 50 0 JFAARO O=C(CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCCC1)NCCN1CCOCC1 ZINC000015068224 555868255 /nfs/dbraw/zinc/86/82/55/555868255.db2.gz YPLGIKAZKGCKTI-LADGPHEKSA-N 1 0 463.066 2.855 50 0 JFAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)Cc1cccc3ccccc31)CC2 ZINC000011966366 555871994 /nfs/dbraw/zinc/87/19/94/555871994.db2.gz NVOKQWMLOIFNLC-HSZRJFAPSA-N 1 0 476.625 2.824 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)[NH+]2CCC(C)CC2)cc1 ZINC000011998762 555881723 /nfs/dbraw/zinc/88/17/23/555881723.db2.gz KXHGBLSTPHAVHC-HSZRJFAPSA-N 1 0 485.606 2.965 50 0 JFAARO CCOC(=O)c1cnn(-c2ccccc2C)c1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000012040247 555892818 /nfs/dbraw/zinc/89/28/18/555892818.db2.gz KWTDURSIGHHDAD-UHFFFAOYSA-N 1 0 453.587 2.663 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC4=NS(=O)(=O)c5ccccc54)cc3)cn2)CC1 ZINC000022237601 555894742 /nfs/dbraw/zinc/89/47/42/555894742.db2.gz FEMHYTNXZNRFEZ-UHFFFAOYSA-N 1 0 476.562 2.647 50 0 JFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)ccc1OCc1cccs1 ZINC000015356871 555900608 /nfs/dbraw/zinc/90/06/08/555900608.db2.gz OZADEECTCGZIPO-UHFFFAOYSA-N 1 0 452.334 2.574 50 0 JFAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)C3CCCCC3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000012134919 555912981 /nfs/dbraw/zinc/91/29/81/555912981.db2.gz NZCQZUBOQRQJOE-HSZRJFAPSA-N 1 0 456.631 2.500 50 0 JFAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)C3CCCCC3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000012134915 555913083 /nfs/dbraw/zinc/91/30/83/555913083.db2.gz NZCQZUBOQRQJOE-QHCPKHFHSA-N 1 0 456.631 2.500 50 0 JFAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1 ZINC000012152380 555925939 /nfs/dbraw/zinc/92/59/39/555925939.db2.gz GHXHIKNBVCRDGY-UHFFFAOYSA-N 1 0 454.640 2.837 50 0 JFAARO CC(C)[NH+]1CCN(C(=O)c2cc(NS(C)(=O)=O)cc3ncn(CCc4ccccc4)c32)CC1 ZINC000012158856 555929623 /nfs/dbraw/zinc/92/96/23/555929623.db2.gz KWCGUPZMQTWARQ-UHFFFAOYSA-N 1 0 469.611 2.817 50 0 JFAARO CN(C[C@@H]1Cc2ccccc2O1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012160270 555930636 /nfs/dbraw/zinc/93/06/36/555930636.db2.gz HCACUYDPWHJUFQ-SIBVEZHUSA-N 1 0 483.996 2.751 50 0 JFAARO COc1cc2cc(C[NH2+][C@@H]3CCS(=O)(=O)C3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000012183640 555935797 /nfs/dbraw/zinc/93/57/97/555935797.db2.gz SXUBCMCDTQVSTJ-HXUWFJFHSA-N 1 0 456.564 2.652 50 0 JFAARO COc1cc2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000012183643 555935808 /nfs/dbraw/zinc/93/58/08/555935808.db2.gz SXUBCMCDTQVSTJ-FQEVSTJZSA-N 1 0 456.564 2.652 50 0 JFAARO CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)Cc1ccc3ccccc3c1)CC2 ZINC000012194792 555941007 /nfs/dbraw/zinc/94/10/07/555941007.db2.gz NZOXFGDNPKGDRS-QHCPKHFHSA-N 1 0 476.625 2.824 50 0 JFAARO C[N@H+](Cc1ccc2nsnc2c1)C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000012242812 555945830 /nfs/dbraw/zinc/94/58/30/555945830.db2.gz XXLBIIMUIMLHFQ-UHFFFAOYSA-N 1 0 494.665 2.854 50 0 JFAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2s1 ZINC000012342185 555954614 /nfs/dbraw/zinc/95/46/14/555954614.db2.gz MPCRZNBTTQOPQQ-UHFFFAOYSA-N 1 0 474.608 2.526 50 0 JFAARO CCCN1C(=O)c2c(C(=O)NCCC[NH+]3CCCCCC3)ncn2C[C@@]1(C)C(=O)NCCC(C)C ZINC000015735679 555982789 /nfs/dbraw/zinc/98/27/89/555982789.db2.gz MDKIDRFAHZQAGD-SANMLTNESA-N 1 0 488.677 2.666 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Cn3cnc(S(=O)(=O)N4CCCCC4)c3)CC2)c1 ZINC000015766897 555985888 /nfs/dbraw/zinc/98/58/88/555985888.db2.gz GQCYXRQXCPMUAO-UHFFFAOYSA-N 1 0 487.670 2.703 50 0 JFAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(C)oc4ncnc(N5CCOCC5)c43)cc2)CC1 ZINC000022937135 555989795 /nfs/dbraw/zinc/98/97/95/555989795.db2.gz MWCFSKCMVVMSOO-UHFFFAOYSA-N 1 0 464.570 2.758 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000022937150 555989803 /nfs/dbraw/zinc/98/98/03/555989803.db2.gz UGCWRZFUHBSDCF-HSZRJFAPSA-N 1 0 493.681 2.869 50 0 JFAARO C[C@H]1CSc2ccc(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2NC1=O ZINC000022937295 555990312 /nfs/dbraw/zinc/99/03/12/555990312.db2.gz GPBRMLHDIYWJCP-IBGZPJMESA-N 1 0 488.679 2.853 50 0 JFAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCCCCC4)C3)ccc21 ZINC000015784479 556003415 /nfs/dbraw/zinc/00/34/15/556003415.db2.gz YWZKILBGPHXQOF-NRFANRHFSA-N 1 0 460.644 2.961 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786778 556006468 /nfs/dbraw/zinc/00/64/68/556006468.db2.gz VUYAXAFKNLRNTH-UHFFFAOYSA-N 1 0 472.542 2.825 50 0 JFAARO CSCC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N1C(=O)c2ccccc2C1=O ZINC000023134588 556020364 /nfs/dbraw/zinc/02/03/64/556020364.db2.gz JPUDQSNZABNXSK-OAQYLSRUSA-N 1 0 452.580 2.795 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000023162484 556026478 /nfs/dbraw/zinc/02/64/78/556026478.db2.gz AOGPYSAEBYTLRI-DEOSSOPVSA-N 1 0 464.566 2.684 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181147 556027506 /nfs/dbraw/zinc/02/75/06/556027506.db2.gz PFJUEFXXEAORDF-URXFXBBRSA-N 1 0 485.698 2.570 50 0 JFAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)C2 ZINC000023251379 556035235 /nfs/dbraw/zinc/03/52/35/556035235.db2.gz CCVNCGOXPMZOHX-GXGASBQFSA-N 1 0 483.726 2.909 50 0 JFAARO Cn1c(CCC(N)=O)nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000023254222 556035551 /nfs/dbraw/zinc/03/55/51/556035551.db2.gz WKQDXGDOZHGAGB-UHFFFAOYSA-N 1 0 450.612 2.734 50 0 JFAARO COc1ccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)cc1OC ZINC000015864161 556039037 /nfs/dbraw/zinc/03/90/37/556039037.db2.gz NXLIZIOHQNFXCI-UHFFFAOYSA-N 1 0 476.371 2.541 50 0 JFAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCCCC1)C2 ZINC000023354111 556048425 /nfs/dbraw/zinc/04/84/25/556048425.db2.gz QBSQXERCHWXJFH-NRFANRHFSA-N 1 0 457.663 2.918 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CCn3c(=O)c4cccn4c4cccnc43)CC2)c1 ZINC000015936316 556073910 /nfs/dbraw/zinc/07/39/10/556073910.db2.gz QVXDIUYYXRDRHV-UHFFFAOYSA-N 1 0 486.620 2.985 50 0 JFAARO Cc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)cc1 ZINC000015942663 556077591 /nfs/dbraw/zinc/07/75/91/556077591.db2.gz BMHRDDDKCLVIDG-UHFFFAOYSA-N 1 0 458.609 2.997 50 0 JFAARO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@@]32c3ccccc3NC2=O)c1 ZINC000015958734 556090255 /nfs/dbraw/zinc/09/02/55/556090255.db2.gz LHJNKQMANJQWDP-BMEWAZJXSA-N 1 0 483.524 2.872 50 0 biogenic JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000016009906 556109037 /nfs/dbraw/zinc/10/90/37/556109037.db2.gz HDMHJKBCBGGPAR-CQAGSAPUSA-N 1 0 457.461 2.699 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016012963 556112068 /nfs/dbraw/zinc/11/20/68/556112068.db2.gz TZVJECOHDLDMLO-NBCVKUGOSA-N 1 0 471.488 2.695 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016024770 556115301 /nfs/dbraw/zinc/11/53/01/556115301.db2.gz CKRIEFAYLRVQTK-FVJVTNMWSA-N 1 0 453.926 2.809 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000016024583 556115345 /nfs/dbraw/zinc/11/53/45/556115345.db2.gz AEDJGYAMWXYUMV-JJEXOMBSSA-N 1 0 497.979 2.976 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016025116 556116078 /nfs/dbraw/zinc/11/60/78/556116078.db2.gz SXZSKKHMFRXSMB-AIDSWVIKSA-N 1 0 453.926 2.807 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000016027080 556116424 /nfs/dbraw/zinc/11/64/24/556116424.db2.gz VLLZQAAEDQPPCC-FRHHFWFFSA-N 1 0 451.523 2.625 50 0 JFAARO CCc1c(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cnn1-c1ccc(OC)nn1 ZINC000024550381 556135800 /nfs/dbraw/zinc/13/58/00/556135800.db2.gz YXSQLHDXXGSHSC-FQEVSTJZSA-N 1 0 450.543 2.809 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012995960 556188791 /nfs/dbraw/zinc/18/87/91/556188791.db2.gz MWCMFQMKBHQOBY-RUZDIDTESA-N 1 0 487.622 2.668 50 0 JFAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)[nH+]1 ZINC000017121360 556219472 /nfs/dbraw/zinc/21/94/72/556219472.db2.gz CYWZPDVVPALMRT-UHFFFAOYSA-N 1 0 459.616 2.564 50 0 JFAARO CC(C)CCN(C(=O)C[N@H+](C)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013063222 556259273 /nfs/dbraw/zinc/25/92/73/556259273.db2.gz CVKSLXOTOWSEMP-UHFFFAOYSA-N 1 0 455.603 2.811 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)c(C)c2)CC1 ZINC000026909182 556265765 /nfs/dbraw/zinc/26/57/65/556265765.db2.gz MCSWENQJJUKYPX-UHFFFAOYSA-N 1 0 473.595 2.711 50 0 JFAARO COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000017793941 556266873 /nfs/dbraw/zinc/26/68/73/556266873.db2.gz LJXQVJMMWLLIPI-OAQYLSRUSA-N 1 0 459.612 2.819 50 0 JFAARO S=C(NCCCN1CC[NH+](CCCNC(=S)NCc2ccccc2)CC1)NCc1ccccc1 ZINC000019690759 556360220 /nfs/dbraw/zinc/36/02/20/556360220.db2.gz MMNXONGRZVKUKW-UHFFFAOYSA-N 1 0 498.766 2.713 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1NC(C)=O ZINC000031583507 556399883 /nfs/dbraw/zinc/39/98/83/556399883.db2.gz HEPSRVCZIXVIEH-FQEVSTJZSA-N 1 0 459.568 2.920 50 0 JFAARO CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCC[NH+](CC)CC)cc3)c(=O)c2cc1OCC ZINC000008608331 562947060 /nfs/dbraw/zinc/94/70/60/562947060.db2.gz RFQMQRDOEPKEJE-UHFFFAOYSA-N 1 0 482.581 2.607 50 0 JFAARO O=C(c1ccc(CNc2c(=O)c(=O)c2N2CCCC2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000008683356 562951754 /nfs/dbraw/zinc/95/17/54/562951754.db2.gz UNSWXMHGTLYAOQ-UHFFFAOYSA-N 1 0 450.583 2.585 50 0 JFAARO CCCC[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000008583359 569592072 /nfs/dbraw/zinc/59/20/72/569592072.db2.gz NJSPQKLJOIHNMW-UHFFFAOYSA-N 1 0 462.616 2.555 50 0 JFAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 ZINC000056952757 569593376 /nfs/dbraw/zinc/59/33/76/569593376.db2.gz BXAQTWBOCHOPAT-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000059044433 569602310 /nfs/dbraw/zinc/60/23/10/569602310.db2.gz IXWXFSGSTGXUFO-IRXDYDNUSA-N 1 0 487.638 2.957 50 0 JFAARO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)C2=O)cc1 ZINC000032970926 569603513 /nfs/dbraw/zinc/60/35/13/569603513.db2.gz UZYLUKQEJDORFX-DEOSSOPVSA-N 1 0 469.973 2.806 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(CC)ccc3NC2=O)cc1 ZINC000059478094 569604809 /nfs/dbraw/zinc/60/48/09/569604809.db2.gz UYTQJFCWQDZMCT-JLFWUPFSSA-N 1 0 473.529 2.857 50 0 biogenic JFAARO COc1cc(C(=O)N2CCC(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)cc(OC)c1OC ZINC000032974301 569605416 /nfs/dbraw/zinc/60/54/16/569605416.db2.gz RWDUEBKYYFVCKW-GOSISDBHSA-N 1 0 461.603 2.945 50 0 JFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032987559 569609534 /nfs/dbraw/zinc/60/95/34/569609534.db2.gz YKTSZRNGVJGNDS-AWEZNQCLSA-N 1 0 451.980 2.951 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000062273497 569610420 /nfs/dbraw/zinc/61/04/20/569610420.db2.gz JPUQYBNIHLWQLQ-IBGZPJMESA-N 1 0 497.621 2.919 50 0 JFAARO Cc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[NH+](C)C)cc1 ZINC000062581778 569611859 /nfs/dbraw/zinc/61/18/59/569611859.db2.gz LKAAPSNHUSPIBO-JOCHJYFZSA-N 1 0 487.622 2.586 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000033011551 569617058 /nfs/dbraw/zinc/61/70/58/569617058.db2.gz XGCBXDOHTDDJOC-UHFFFAOYSA-N 1 0 483.063 2.680 50 0 JFAARO CC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000033023843 569619658 /nfs/dbraw/zinc/61/96/58/569619658.db2.gz RTCGAFXVSJGJCZ-IBGZPJMESA-N 1 0 498.653 2.804 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCC[NH+]4CCCCCC4)C3)s2)cc1 ZINC000033024714 569620182 /nfs/dbraw/zinc/62/01/82/569620182.db2.gz BRSCLYIWDXZPIO-IBGZPJMESA-N 1 0 498.653 2.943 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)CC2)c1 ZINC000064775929 569627724 /nfs/dbraw/zinc/62/77/24/569627724.db2.gz XJUXVFPBYWBCSN-UHFFFAOYSA-N 1 0 486.620 2.834 50 0 JFAARO COc1ccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000064836051 569636777 /nfs/dbraw/zinc/63/67/77/569636777.db2.gz OOASKFSRWREZRP-UHFFFAOYSA-N 1 0 473.533 2.861 50 0 JFAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 ZINC000034677809 569642197 /nfs/dbraw/zinc/64/21/97/569642197.db2.gz CGIFWYPVCDHEHM-HSZRJFAPSA-N 1 0 483.657 2.868 50 0 JFAARO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000064892129 569644044 /nfs/dbraw/zinc/64/40/44/569644044.db2.gz RIXUOGAZPXCGJE-FQEVSTJZSA-N 1 0 477.609 2.702 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2nnc3cccnc32)cc1 ZINC000064896421 569644957 /nfs/dbraw/zinc/64/49/57/569644957.db2.gz VHMZTWPWTVDFNF-UHFFFAOYSA-N 1 0 455.566 2.753 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)CC1 ZINC000065023821 569649983 /nfs/dbraw/zinc/64/99/83/569649983.db2.gz DPQHHKPXUSRYRS-UHFFFAOYSA-N 1 0 450.631 2.812 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@@H]3C)c2)c(C)c1 ZINC000065025225 569650492 /nfs/dbraw/zinc/65/04/92/569650492.db2.gz RJCZHHYYRVZGOI-IBGZPJMESA-N 1 0 471.627 2.923 50 0 JFAARO CCCCNC(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)cnc1N1CC[NH2+]CC1 ZINC000065025311 569650820 /nfs/dbraw/zinc/65/08/20/569650820.db2.gz CFHOAQSKSDAHSQ-UHFFFAOYSA-N 1 0 459.616 2.747 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)CCc2nc3onc(CC)c3c(N3CCCCC3)n2)CC1 ZINC000065056879 569654223 /nfs/dbraw/zinc/65/42/23/569654223.db2.gz CLLAYQPEFQLZLB-UHFFFAOYSA-N 1 0 471.650 2.637 50 0 JFAARO COc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(C)cc2C)CC3)c1 ZINC000065074820 569657406 /nfs/dbraw/zinc/65/74/06/569657406.db2.gz RXMPDEHIKXSUDJ-UHFFFAOYSA-N 1 0 456.612 2.627 50 0 biogenic JFAARO COc1ccccc1CNC1=[NH+]CCNC12CCN(S(=O)(=O)c1cc(C)ccc1C)CC2 ZINC000065074756 569657433 /nfs/dbraw/zinc/65/74/33/569657433.db2.gz KFQJMEQTVDADSH-UHFFFAOYSA-N 1 0 456.612 2.627 50 0 biogenic JFAARO COc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc4c(c2)CCCC4)CC3)cc1 ZINC000065074791 569657479 /nfs/dbraw/zinc/65/74/79/569657479.db2.gz CDHYKHOBUNBVRN-UHFFFAOYSA-N 1 0 482.650 2.889 50 0 biogenic JFAARO O=C(CSc1nc2ccccc2c2nc(CC[NH+]3CCCCC3)nn21)NC[C@@H]1CCCO1 ZINC000065532210 569675645 /nfs/dbraw/zinc/67/56/45/569675645.db2.gz VMAITFBAIJIBHK-KRWDZBQOSA-N 1 0 454.600 2.693 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000035331930 569681087 /nfs/dbraw/zinc/68/10/87/569681087.db2.gz YVPLBBZMVKEZGX-UYAOXDASSA-N 1 0 471.602 2.956 50 0 JFAARO O=C(CCC(=O)N1CCCCC1)N1CCc2cc(S(=O)(=O)NCC[NH+]3CCCCCC3)ccc21 ZINC000035398968 569689282 /nfs/dbraw/zinc/68/92/82/569689282.db2.gz KWTVMPCCMQOWLH-UHFFFAOYSA-N 1 0 490.670 2.523 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)c1C ZINC000035510234 569698130 /nfs/dbraw/zinc/69/81/30/569698130.db2.gz FWSASQSYQWCVQP-HXUWFJFHSA-N 1 0 460.619 2.582 50 0 JFAARO COc1cc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000072139187 569699706 /nfs/dbraw/zinc/69/97/06/569699706.db2.gz LSCUNQNDPOGAAW-UHFFFAOYSA-N 1 0 456.547 2.765 50 0 JFAARO COc1ccc(CCN(C)CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)cc1OC ZINC000072277119 569701623 /nfs/dbraw/zinc/70/16/23/569701623.db2.gz RYLHMFFGKPNGOV-SANMLTNESA-N 1 0 466.582 2.722 50 0 JFAARO COCC(=O)N(CC[NH+](C)C)Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1 ZINC000085405074 569710262 /nfs/dbraw/zinc/71/02/62/569710262.db2.gz JZDQVIQCERLJQH-UHFFFAOYSA-N 1 0 454.976 2.953 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000089779535 569719787 /nfs/dbraw/zinc/71/97/87/569719787.db2.gz CKYWRGRMOANOGL-JOCHJYFZSA-N 1 0 483.579 2.724 50 0 JFAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000095479950 569724604 /nfs/dbraw/zinc/72/46/04/569724604.db2.gz MBFYHRRQGAZYLD-UHFFFAOYSA-N 1 0 472.605 2.803 50 0 JFAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+](C)C)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911879 569726918 /nfs/dbraw/zinc/72/69/18/569726918.db2.gz QPZMGPCUYUIKKU-UHFFFAOYSA-N 1 0 464.595 2.754 50 0 JFAARO COc1ccc(-c2cc(C(=O)N(CC(=O)NCC[NH+](C)C)Cc3ccccc3)no2)cc1OC ZINC000036002438 569746267 /nfs/dbraw/zinc/74/62/67/569746267.db2.gz WHQBHWHXTMIUFX-UHFFFAOYSA-N 1 0 466.538 2.679 50 0 JFAARO CCOC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccc(F)cc3)nc2N2CC[NH+](CC)CC2)C1 ZINC000036003151 569746449 /nfs/dbraw/zinc/74/64/49/569746449.db2.gz AAOVYEVVHKFCEI-IBGZPJMESA-N 1 0 469.561 2.840 50 0 JFAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000036755384 569780679 /nfs/dbraw/zinc/78/06/79/569780679.db2.gz MSZICNNAKUBVOA-SANMLTNESA-N 1 0 464.566 2.505 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(F)c(F)c3)cc21 ZINC000037510787 569791355 /nfs/dbraw/zinc/79/13/55/569791355.db2.gz YLOYCUSECQMCEG-MRXNPFEDSA-N 1 0 489.519 2.798 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(OC)c3)cc21 ZINC000037511736 569791740 /nfs/dbraw/zinc/79/17/40/569791740.db2.gz TYVBVHVESFIIFN-SFHVURJKSA-N 1 0 483.565 2.529 50 0 JFAARO CC[NH+](CC)CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3cc(C)ccc3F)cc21 ZINC000037512342 569792107 /nfs/dbraw/zinc/79/21/07/569792107.db2.gz VWSBYWRKKCUYIQ-UHFFFAOYSA-N 1 0 471.529 2.579 50 0 JFAARO CC[NH+](CC)CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(C)c(C)c3)cc21 ZINC000037513031 569792616 /nfs/dbraw/zinc/79/26/16/569792616.db2.gz HGHFGPLZMATCGK-UHFFFAOYSA-N 1 0 467.566 2.749 50 0 JFAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4nc(C)c5cc(C)ccc5n4)n3)c(C)n2)CC1 ZINC000039383789 569809660 /nfs/dbraw/zinc/80/96/60/569809660.db2.gz IIVPTRZTNYWQLP-UHFFFAOYSA-N 1 0 471.569 2.981 50 0 JFAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000040115699 569816288 /nfs/dbraw/zinc/81/62/88/569816288.db2.gz OPHPPIOVJNAZFM-HSZRJFAPSA-N 1 0 486.638 2.787 50 0 JFAARO COc1ccc(C[N@@H+]2CCCN(c3nc(CN4CCN(c5ccccc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000040386563 569824333 /nfs/dbraw/zinc/82/43/33/569824333.db2.gz HMJLQMHIMNSRPD-UHFFFAOYSA-N 1 0 488.636 2.813 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000103890096 569838848 /nfs/dbraw/zinc/83/88/48/569838848.db2.gz AQEKSTLGBKNJNN-FNAHDJPLSA-N 1 0 456.697 2.692 50 0 JFAARO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000049611662 569849821 /nfs/dbraw/zinc/84/98/21/569849821.db2.gz WVSTYMGBILQZFE-IBGZPJMESA-N 1 0 497.664 2.710 50 0 JFAARO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000138641591 569866135 /nfs/dbraw/zinc/86/61/35/569866135.db2.gz QQGOJYFENLCKKY-KCXPTXFHSA-N 1 0 452.308 2.880 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COC ZINC000169681544 569870754 /nfs/dbraw/zinc/87/07/54/569870754.db2.gz LIDSWNZLLMPXGT-OFNKIYASSA-N 1 0 476.639 2.907 50 0 JFAARO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCN3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000245257707 570060814 /nfs/dbraw/zinc/06/08/14/570060814.db2.gz DHVFMNFIHILANW-FTDQSSOUSA-N 1 0 463.600 2.907 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000245330613 570066991 /nfs/dbraw/zinc/06/69/91/570066991.db2.gz ZGSDWISWEDRJAH-AZUAARDMSA-N 1 0 462.612 2.981 50 0 JFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000247801568 570069496 /nfs/dbraw/zinc/06/94/96/570069496.db2.gz VYTMIHRAVMYCEC-SFTDATJTSA-N 1 0 490.670 2.758 50 0 JFAARO CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]2CCCC[C@@H]12 ZINC000248097668 570073899 /nfs/dbraw/zinc/07/38/99/570073899.db2.gz DFHQULLQMGVPFE-QGTPRVQTSA-N 1 0 457.040 2.649 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000248131827 570074988 /nfs/dbraw/zinc/07/49/88/570074988.db2.gz YVPLBBZMVKEZGX-QUCCMNQESA-N 1 0 471.602 2.956 50 0 JFAARO CCCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250074453 570078995 /nfs/dbraw/zinc/07/89/95/570078995.db2.gz SAUIGLCLUQXKFC-GOTSBHOMSA-N 1 0 487.670 2.866 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3ccc(C)c2C)cc1 ZINC000253382834 570095297 /nfs/dbraw/zinc/09/52/97/570095297.db2.gz JKOSDNYQCOIACX-KTYKWIDISA-N 1 0 451.523 2.625 50 0 JFAARO COc1ccc([C@H]2[C@@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253400511 570096566 /nfs/dbraw/zinc/09/65/66/570096566.db2.gz DYHKAMUZHQSJCV-YPIYEQTHSA-N 1 0 473.614 2.955 50 0 biogenic JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000263586141 570171568 /nfs/dbraw/zinc/17/15/68/570171568.db2.gz QOOGLEOCYAKGAI-JAXLGGSGSA-N 1 0 473.614 2.796 50 0 biogenic JFAARO COc1cccc([C@]2(CC(=O)N3CCCC[C@H]3c3nccs3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000299779653 570176337 /nfs/dbraw/zinc/17/63/37/570176337.db2.gz QEJZJCYQDZOPRJ-CPJSRVTESA-N 1 0 484.622 2.854 50 0 JFAARO Cc1c(C(=O)NCC[NH+](C)C)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000002925797 194171597 /nfs/dbraw/zinc/17/15/97/194171597.db2.gz GGSWXNPXAQLVFV-UHFFFAOYSA-N 1 0 461.975 2.658 50 0 JFAARO CC(=O)Nc1ccc(Br)cc1C(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000003044612 194215871 /nfs/dbraw/zinc/21/58/71/194215871.db2.gz VZCGAHCDBOTUBZ-UHFFFAOYSA-N 1 0 475.343 2.520 50 0 JFAARO COc1ccc(-c2c(C)oc3cc(OC[C@H](O)C[NH+]4CCC(C(N)=O)CC4)ccc3c2=O)cc1 ZINC000003227706 194244704 /nfs/dbraw/zinc/24/47/04/194244704.db2.gz CIMDANJNUATIGK-LJQANCHMSA-N 1 0 466.534 2.714 50 0 JFAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCC[NH+](C)C)cc1 ZINC000003670437 194358339 /nfs/dbraw/zinc/35/83/39/194358339.db2.gz WYGPGXFYKBSWFX-NRFANRHFSA-N 1 0 461.360 2.887 50 0 JFAARO C[N@H+](CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)Cc1ccccc1 ZINC000004076745 194374852 /nfs/dbraw/zinc/37/48/52/194374852.db2.gz UCJRINHGUKFHRQ-UHFFFAOYSA-N 1 0 487.651 2.730 50 0 JFAARO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009712088 194905410 /nfs/dbraw/zinc/90/54/10/194905410.db2.gz UXWMMDURDVELAF-UHFFFAOYSA-N 1 0 466.003 2.659 50 0 JFAARO O=S(=O)(c1ccc(OC[C@@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1)N1CCOCC1 ZINC000012600223 195045603 /nfs/dbraw/zinc/04/56/03/195045603.db2.gz QCMZFCTUSGZVHX-HJGBXLFDSA-N 1 0 485.046 2.659 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)[NH+]2CCCC2)cc1 ZINC000012752701 195106561 /nfs/dbraw/zinc/10/65/61/195106561.db2.gz VZGIHTJUZPLNOU-NBGIEHNGSA-N 1 0 482.606 2.952 50 0 JFAARO C[NH+](C)Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012782339 195125183 /nfs/dbraw/zinc/12/51/83/195125183.db2.gz QFYGRMZLEUGPJH-UHFFFAOYSA-N 1 0 455.624 2.954 50 0 JFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)CC)cc2c1O ZINC000020682454 195204432 /nfs/dbraw/zinc/20/44/32/195204432.db2.gz DMPPHJNGYBQWNH-SFHVURJKSA-N 1 0 476.643 2.943 50 0 JFAARO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000020687309 195205602 /nfs/dbraw/zinc/20/56/02/195205602.db2.gz KLFNWEBUARNPLE-DEOSSOPVSA-N 1 0 464.610 2.823 50 0 JFAARO Cc1cc(C)cc(-n2ccn3c(CCC(=O)N4CCC([NH+]5CCCCC5)CC4)nnc3c2=O)c1 ZINC000020848586 195230525 /nfs/dbraw/zinc/23/05/25/195230525.db2.gz QKXUVSZNJJJART-UHFFFAOYSA-N 1 0 462.598 2.907 50 0 JFAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020757396 195216394 /nfs/dbraw/zinc/21/63/94/195216394.db2.gz VZWNONRVGYQGSA-ZUVQJFRASA-N 1 0 492.963 2.821 50 0 biogenic JFAARO CCOc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 ZINC000020784152 195225349 /nfs/dbraw/zinc/22/53/49/195225349.db2.gz MWRYSFJQEQRMAS-UHFFFAOYSA-N 1 0 451.546 2.776 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c2ccccc12 ZINC000020913698 195246304 /nfs/dbraw/zinc/24/63/04/195246304.db2.gz UMQXLWGOASPFKX-UHFFFAOYSA-N 1 0 456.550 2.866 50 0 JFAARO COc1ccc(C[N@H+]2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)c(C)c1C ZINC000020912366 195246320 /nfs/dbraw/zinc/24/63/20/195246320.db2.gz JYUFXRINDGLNHP-UHFFFAOYSA-N 1 0 493.608 2.557 50 0 JFAARO CC[C@@H](C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943597 195256358 /nfs/dbraw/zinc/25/63/58/195256358.db2.gz PVXRPSVUWRSWRA-NRFANRHFSA-N 1 0 473.021 2.689 50 0 JFAARO CC[C@H](C(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943732 195256450 /nfs/dbraw/zinc/25/64/50/195256450.db2.gz UDOYJFSISCAPFT-OAQYLSRUSA-N 1 0 487.048 2.997 50 0 JFAARO CCC[NH+]1CCN(CCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000020978095 195258484 /nfs/dbraw/zinc/25/84/84/195258484.db2.gz AMFAMLCXINWNRM-UHFFFAOYSA-N 1 0 452.524 2.728 50 0 JFAARO C[C@H](CCNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)[NH+]1CCCC1 ZINC000021110022 195277640 /nfs/dbraw/zinc/27/76/40/195277640.db2.gz YFVAXODBSQYRRF-QTYPKTMWSA-N 1 0 453.612 2.902 50 0 JFAARO O=S(=O)(c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc1)N1CCOCC1 ZINC000021390883 195300662 /nfs/dbraw/zinc/30/06/62/195300662.db2.gz XSIFBOXAXKQSTG-UHFFFAOYSA-N 1 0 452.580 2.578 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(C)c1C ZINC000021794690 195322148 /nfs/dbraw/zinc/32/21/48/195322148.db2.gz HLNWRGPRKGEHCC-UHFFFAOYSA-N 1 0 459.616 2.912 50 0 JFAARO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O ZINC000058357756 195378409 /nfs/dbraw/zinc/37/84/09/195378409.db2.gz IGEINUXKIDZWTK-JIYWGDOCSA-N 1 0 458.559 2.794 50 0 JFAARO C[N@H+](CCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)C1CCCCC1 ZINC000021944404 195339923 /nfs/dbraw/zinc/33/99/23/195339923.db2.gz YXRXKTFYJDOMNA-UHFFFAOYSA-N 1 0 462.594 2.982 50 0 JFAARO O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000021944411 195339992 /nfs/dbraw/zinc/33/99/92/195339992.db2.gz WAUYAFDBSRGWSB-UHFFFAOYSA-N 1 0 482.584 2.776 50 0 JFAARO CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000058162876 195369823 /nfs/dbraw/zinc/36/98/23/195369823.db2.gz ABQZMWMOOBJMDC-DEOSSOPVSA-N 1 0 472.655 2.870 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC(CCc4ccc(O)cc4)CC3)cc2)CC1 ZINC000058248492 195375127 /nfs/dbraw/zinc/37/51/27/195375127.db2.gz AOWGDRMMAOWDCK-UHFFFAOYSA-N 1 0 450.583 2.954 50 0 JFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C1CC1 ZINC000096280085 130024941 /nfs/dbraw/zinc/02/49/41/130024941.db2.gz DNVZNHLWMZMFSE-UHFFFAOYSA-N 1 0 478.641 2.681 50 0 JFAARO CC(C)Cc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045944872 519440477 /nfs/dbraw/zinc/44/04/77/519440477.db2.gz MRLRQASIUWGCFS-UHFFFAOYSA-N 1 0 453.649 2.513 50 0 JFAARO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)cc21 ZINC000048288101 519630360 /nfs/dbraw/zinc/63/03/60/519630360.db2.gz DMPOOIYBWOFUQP-GOSISDBHSA-N 1 0 480.428 2.809 50 0 JFAARO CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033033805 519717332 /nfs/dbraw/zinc/71/73/32/519717332.db2.gz GOQIECHRPBCPLG-UHFFFAOYSA-N 1 0 454.955 2.828 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033052 519731947 /nfs/dbraw/zinc/73/19/47/519731947.db2.gz OIHNRLFOQQGCPX-UHFFFAOYSA-N 1 0 499.637 2.728 50 0 JFAARO CCC[NH+]1CCN(C(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N4CCCCC4)c3C)cc2)CC1 ZINC000065138453 519857028 /nfs/dbraw/zinc/85/70/28/519857028.db2.gz FOTMZHCTKXTGTA-UHFFFAOYSA-N 1 0 487.670 2.891 50 0 JFAARO CCCC(=O)OC[C@@H](O)C[NH2+][C@@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160592 519881338 /nfs/dbraw/zinc/88/13/38/519881338.db2.gz WTEGMTYVVQGDLJ-HNAYVOBHSA-N 1 0 451.520 2.753 50 0 JFAARO CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)cnc1N1CC[NH2+]CC1 ZINC000035513911 520544357 /nfs/dbraw/zinc/54/43/57/520544357.db2.gz SDAGYDVSFRZIGI-UHFFFAOYSA-N 1 0 496.431 2.537 50 0 JFAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000033258835 520612720 /nfs/dbraw/zinc/61/27/20/520612720.db2.gz UHSVYWNDVYNTJF-UHFFFAOYSA-N 1 0 476.625 2.904 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1c(=O)cc(C)n(CCCN2CCCC2=O)c1CC1CCCC1 ZINC000012279268 520680193 /nfs/dbraw/zinc/68/01/93/520680193.db2.gz DLBBIVUQOVHKBZ-UHFFFAOYSA-N 1 0 458.647 2.974 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000064999974 520685395 /nfs/dbraw/zinc/68/53/95/520685395.db2.gz HZJYGMIXOHGGEM-UHFFFAOYSA-N 1 0 451.614 2.508 50 0 JFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4ccc(S(=O)(=O)CC)cc4)CC3)C2=O)cc1 ZINC000014944549 521037464 /nfs/dbraw/zinc/03/74/64/521037464.db2.gz JEYVWFQQDHHQSK-QHCPKHFHSA-N 1 0 485.606 2.769 50 0 JFAARO CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034273 521218271 /nfs/dbraw/zinc/21/82/71/521218271.db2.gz MYUHELYRMBVLJC-UHFFFAOYSA-N 1 0 499.637 2.918 50 0 JFAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCN3CCC([NH+]4CCCCC4)CC3)cc2)c1N ZINC000021652099 521578797 /nfs/dbraw/zinc/57/87/97/521578797.db2.gz ZEEKPUYKMRYIJH-UHFFFAOYSA-N 1 0 482.629 2.701 50 0 JFAARO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048263708 521636814 /nfs/dbraw/zinc/63/68/14/521636814.db2.gz YXHWKPYAVWPRED-ZCNNSNEGSA-N 1 0 477.675 2.770 50 0 JFAARO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCCCC1)C2 ZINC000023353637 521664365 /nfs/dbraw/zinc/66/43/65/521664365.db2.gz KWGZFUGLALINHX-QFIPXVFZSA-N 1 0 487.689 2.638 50 0 JFAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014746140 521664608 /nfs/dbraw/zinc/66/46/08/521664608.db2.gz SXWKKAXKMQMXFL-VWPQPMDRSA-N 1 0 457.663 2.960 50 0 JFAARO CC[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nn2)CC1 ZINC000033261551 521698234 /nfs/dbraw/zinc/69/82/34/521698234.db2.gz BYDVFPSWVQGBFZ-NRFANRHFSA-N 1 0 498.075 2.837 50 0 JFAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000009670413 521699822 /nfs/dbraw/zinc/69/98/22/521699822.db2.gz UWIPVUSRFZUGKU-GOSISDBHSA-N 1 0 450.539 2.591 50 0 JFAARO COC(=O)c1c(OCC[NH+]2CCCCC2)cc(=O)n2c1CCN(Cc1ccc(OC)cc1)CC2 ZINC000014882719 521777045 /nfs/dbraw/zinc/77/70/45/521777045.db2.gz BAYRWYFNVFWRRA-UHFFFAOYSA-N 1 0 469.582 2.567 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000022682592 522014105 /nfs/dbraw/zinc/01/41/05/522014105.db2.gz GMHKVCOYFJMHDR-SFHVURJKSA-N 1 0 477.480 2.812 50 0 JFAARO COC(=O)c1cnn(-c2ccc(C(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)cc2)c1N ZINC000021652470 522350969 /nfs/dbraw/zinc/35/09/69/522350969.db2.gz MUURVAIPSVSUPO-UHFFFAOYSA-N 1 0 490.608 2.800 50 0 JFAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000033259111 522528628 /nfs/dbraw/zinc/52/86/28/522528628.db2.gz JJDTZHLYAMYILS-NRFANRHFSA-N 1 0 462.598 2.572 50 0 JFAARO C[N@H+](CCCNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000064955545 522755577 /nfs/dbraw/zinc/75/55/77/522755577.db2.gz PWQYVOAYAHWVGE-UHFFFAOYSA-N 1 0 480.638 2.758 50 0 JFAARO CCn1c(C(=O)N2CCC(C(=O)NCCCN3CC[NH+](CC)CC3)CC2)cc2sccc21 ZINC000020383011 523112447 /nfs/dbraw/zinc/11/24/47/523112447.db2.gz IJTVXLHFIBJHJL-UHFFFAOYSA-N 1 0 459.660 2.719 50 0 JFAARO CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000048324043 523233062 /nfs/dbraw/zinc/23/30/62/523233062.db2.gz XXEDWKAIMFGFDK-JOCHJYFZSA-N 1 0 460.987 2.947 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)COC ZINC000036309597 523236316 /nfs/dbraw/zinc/23/63/16/523236316.db2.gz WMOXLSGGRHMALN-UGKGYDQZSA-N 1 0 480.602 2.738 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COC ZINC000036310170 523236999 /nfs/dbraw/zinc/23/69/99/523236999.db2.gz LGJTUMUMIQFOKK-UGKGYDQZSA-N 1 0 480.602 2.738 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)COC ZINC000036309135 523239002 /nfs/dbraw/zinc/23/90/02/523239002.db2.gz WLLVRQINRMHFKD-NZQKXSOJSA-N 1 0 476.639 2.907 50 0 JFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014755884 523289210 /nfs/dbraw/zinc/28/92/10/523289210.db2.gz XREGFDOLJCCJNN-UHFFFAOYSA-N 1 0 452.555 2.926 50 0 JFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014749309 523290194 /nfs/dbraw/zinc/29/01/94/523290194.db2.gz KVTAENZGUPKOJY-UHFFFAOYSA-N 1 0 480.565 2.688 50 0 JFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cc3c(c(OC)c1)OCO3)CC2 ZINC000014732426 523290849 /nfs/dbraw/zinc/29/08/49/523290849.db2.gz HKEBINZXSYSYQS-UHFFFAOYSA-N 1 0 496.564 2.654 50 0 JFAARO COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCC[NH+]5CCCC5)CC4)c32)cc1 ZINC000033084946 523304523 /nfs/dbraw/zinc/30/45/23/523304523.db2.gz AKBXMLGXNTXUMP-UHFFFAOYSA-N 1 0 450.543 2.722 50 0 JFAARO CCn1cc(C[NH+]2CCC([C@@]3(C)NC(=O)N(Cc4cccc(OC)c4OC)C3=O)CC2)c(C)n1 ZINC000012203901 523369221 /nfs/dbraw/zinc/36/92/21/523369221.db2.gz OIOPWJWOVIHNFH-RUZDIDTESA-N 1 0 469.586 2.951 50 0 JFAARO CCn1nc(C)c(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CCc2ccc(OC)cc2)c1C ZINC000014749405 523641566 /nfs/dbraw/zinc/64/15/66/523641566.db2.gz KWHUWNGLYWUEGV-UHFFFAOYSA-N 1 0 453.587 3.000 50 0 JFAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cc3c(c(OC)c1)OCO3)CC2 ZINC000014746926 523801168 /nfs/dbraw/zinc/80/11/68/523801168.db2.gz CUGORIFLBVGHCY-UHFFFAOYSA-N 1 0 495.576 2.912 50 0 JFAARO COCC[NH+]1CCN(c2nc3nn(-c4ccc(OC)cc4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037361129 523859940 /nfs/dbraw/zinc/85/99/40/523859940.db2.gz WKVVVINVJODQOV-UHFFFAOYSA-N 1 0 477.544 2.981 50 0 JFAARO COCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[nH]c(=O)c2C1 ZINC000020467814 523876976 /nfs/dbraw/zinc/87/69/76/523876976.db2.gz QWVVBHNKEAZBKK-UHFFFAOYSA-N 1 0 453.362 2.680 50 0 JFAARO C[NH+]1CCN(CCCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021810686 523894387 /nfs/dbraw/zinc/89/43/87/523894387.db2.gz RNZBFEHHUXJGOX-RUZDIDTESA-N 1 0 455.603 2.535 50 0 JFAARO C[NH+]1CCN(CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)CC1 ZINC000021864128 523897944 /nfs/dbraw/zinc/89/79/44/523897944.db2.gz LAAYQZYUJSYGLU-AREMUKBSSA-N 1 0 467.614 2.659 50 0 JFAARO C[NH+]1CCN(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021863343 523901558 /nfs/dbraw/zinc/90/15/58/523901558.db2.gz VSMWLQIHIHIPSU-SANMLTNESA-N 1 0 467.614 2.659 50 0 JFAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 ZINC000009223547 523926037 /nfs/dbraw/zinc/92/60/37/523926037.db2.gz FOHVICQLHWPPIP-VWLOTQADSA-N 1 0 484.000 2.974 50 0 JFAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c(OC)c1OC ZINC000014883331 524025678 /nfs/dbraw/zinc/02/56/78/524025678.db2.gz BRYYNGIDLYCSHI-IBGZPJMESA-N 1 0 472.586 2.698 50 0 JFAARO C[NH+](C)CCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)CC(C)(C)C)CC2)CC1 ZINC000037525206 524055714 /nfs/dbraw/zinc/05/57/14/524055714.db2.gz BOPQDVFDLSAPJP-UHFFFAOYSA-N 1 0 471.690 2.917 50 0 JFAARO C[NH+](C)CCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C(=O)C(C)(C)C)CC2)C1=O ZINC000014965354 524055813 /nfs/dbraw/zinc/05/58/13/524055813.db2.gz FZXOAPTYFTZFFH-RUZDIDTESA-N 1 0 460.594 2.895 50 0 JFAARO COc1ccc(C[C@H]([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(OC)cc2)cc1 ZINC000016694966 524155827 /nfs/dbraw/zinc/15/58/27/524155827.db2.gz PKFQKEJHDGVLBI-VWLOTQADSA-N 1 0 497.617 2.584 50 0 JFAARO C[C@H](CCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O)[NH+]1CCCC1 ZINC000033068623 524179992 /nfs/dbraw/zinc/17/99/92/524179992.db2.gz VJVRSGCBYKLSNH-GOSISDBHSA-N 1 0 468.985 2.856 50 0 JFAARO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033722 524323907 /nfs/dbraw/zinc/32/39/07/524323907.db2.gz HJWQOAMOGGFBKB-OAQYLSRUSA-N 1 0 486.638 2.731 50 0 JFAARO COc1ccccc1CCNC(=O)Cc1ccc(N2CCC([NH2+]C[C@@H]3COCCO3)CC2)cc1 ZINC000012470104 524414548 /nfs/dbraw/zinc/41/45/48/524414548.db2.gz TUWMZHFMCYXNBZ-RUZDIDTESA-N 1 0 467.610 2.570 50 0 JFAARO COc1ccccc1C[NH+]1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000012204504 524447944 /nfs/dbraw/zinc/44/79/44/524447944.db2.gz PNLXDXLEGHIFOV-RLWLMLJZSA-N 1 0 464.566 2.929 50 0 JFAARO COc1ccccc1C[NH+]1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000012204510 524448620 /nfs/dbraw/zinc/44/86/20/524448620.db2.gz PNLXDXLEGHIFOV-QFQXNSOFSA-N 1 0 464.566 2.929 50 0 JFAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)C[C@@H]2C)c1 ZINC000008591303 524554972 /nfs/dbraw/zinc/55/49/72/524554972.db2.gz BEJYQRDNFCNCNY-FQEVSTJZSA-N 1 0 472.593 2.903 50 0 JFAARO COc1ccc(NC(=O)c2nnc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000033060178 524656366 /nfs/dbraw/zinc/65/63/66/524656366.db2.gz IIQIPOVSQBHNER-UHFFFAOYSA-N 1 0 494.621 2.737 50 0 JFAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[NH+]1CCCC1 ZINC000022679555 524790850 /nfs/dbraw/zinc/79/08/50/524790850.db2.gz VSTZHCQYFLJGQQ-NQIIRXRSSA-N 1 0 465.550 2.773 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)C2)s1 ZINC000022694970 525535486 /nfs/dbraw/zinc/53/54/86/525535486.db2.gz YMZOADRFCWAEDE-SFHVURJKSA-N 1 0 462.641 2.848 50 0 JFAARO COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)c1 ZINC000045966974 525789103 /nfs/dbraw/zinc/78/91/03/525789103.db2.gz CDKBALIKZUWGBU-UHFFFAOYSA-N 1 0 460.372 2.922 50 0 JFAARO COc1cccc(OC)c1C(=O)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255081 526214986 /nfs/dbraw/zinc/21/49/86/526214986.db2.gz SWDZLNYNWCLIEC-VWLOTQADSA-N 1 0 486.657 2.623 50 0 JFAARO COc1cccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)c1 ZINC000033121329 526244031 /nfs/dbraw/zinc/24/40/31/526244031.db2.gz VCPYWQPBMYGXPV-UHFFFAOYSA-N 1 0 480.590 2.836 50 0 JFAARO O[C@H](C[NH2+]CCNC[C@H](O)COCc1ccccc1Cl)COCc1ccccc1Cl ZINC000022790028 526276677 /nfs/dbraw/zinc/27/66/77/526276677.db2.gz QETCUJTUTRYLSX-BGYRXZFFSA-N 1 0 457.398 2.628 50 0 JFAARO O=C(NC[C@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC000033121262 526601256 /nfs/dbraw/zinc/60/12/56/526601256.db2.gz AXQRENYOCKEEGQ-MRXNPFEDSA-N 1 0 496.992 2.598 50 0 JFAARO O=C(CCc1ccccc1)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036254975 526607826 /nfs/dbraw/zinc/60/78/26/526607826.db2.gz MZURNJWJNLLIIV-AREMUKBSSA-N 1 0 454.659 2.924 50 0 JFAARO O=C(c1ccc2c(c1)[nH]c(=O)n(Cc1ccc3c(c1)OCO3)c2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000036186170 526731221 /nfs/dbraw/zinc/73/12/21/526731221.db2.gz JHDPHSIGSXFEPH-UHFFFAOYSA-N 1 0 490.560 2.970 50 0 JFAARO O=C(COCc1ccccc1)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255000 526939640 /nfs/dbraw/zinc/93/96/40/526939640.db2.gz KOVLDJNLYMOUGO-SANMLTNESA-N 1 0 470.658 2.508 50 0 JFAARO O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc(Cl)cc1 ZINC000065074640 527275223 /nfs/dbraw/zinc/27/52/23/527275223.db2.gz JZDKHYPVASPVCW-UHFFFAOYSA-N 1 0 450.967 2.794 50 0 biogenic JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033060271 527666347 /nfs/dbraw/zinc/66/63/47/527666347.db2.gz VIFBPBXCKVKNGS-UHFFFAOYSA-N 1 0 482.585 2.867 50 0 JFAARO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](C)[C@H](C)N2 ZINC000000719482 553771255 /nfs/dbraw/zinc/77/12/55/553771255.db2.gz ZQQNGICKLUGZCB-DLBZAZTESA-O 1 0 461.546 2.962 50 0 JFAARO CCCNC(=O)c1ccccc1N1CC[NH+](CCCCN2C(=O)[C@H]3CCCCN3C2=O)CC1 ZINC000002183609 554081581 /nfs/dbraw/zinc/08/15/81/554081581.db2.gz MAPLINZMAAZKRZ-JOCHJYFZSA-N 1 0 455.603 2.545 50 0 JFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000002351194 554161575 /nfs/dbraw/zinc/16/15/75/554161575.db2.gz ZJDUGLXYCQDGDT-UHFFFAOYSA-N 1 0 464.295 2.652 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000006498637 554546704 /nfs/dbraw/zinc/54/67/04/554546704.db2.gz JXNIYCDCPMVART-MSZDEVHKSA-N 1 0 457.461 2.699 50 0 JFAARO CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3)c2C1)c1ccccc1 ZINC000006718723 554557716 /nfs/dbraw/zinc/55/77/16/554557716.db2.gz XKFTZKGMDDZMJI-HSZRJFAPSA-N 1 0 474.565 2.644 50 0 investigational JFAARO CCCC[N@H+](CC)CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)CC)cc2c1O ZINC000008811139 554691976 /nfs/dbraw/zinc/69/19/76/554691976.db2.gz YQYNFEYMTQCWFK-UHFFFAOYSA-N 1 0 464.632 2.801 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000009076300 554887678 /nfs/dbraw/zinc/88/76/78/554887678.db2.gz MWACWQALSXXCQQ-KRWDZBQOSA-N 1 0 486.922 2.797 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3c(=O)c4cccn4c4cccnc43)CC2)c1 ZINC000009114980 554901681 /nfs/dbraw/zinc/90/16/81/554901681.db2.gz ZDUCRMRWIOHJEL-UHFFFAOYSA-N 1 0 472.593 2.595 50 0 JFAARO CN1CCN(S(=O)(=O)c2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2)CC1 ZINC000009127597 554922973 /nfs/dbraw/zinc/92/29/73/554922973.db2.gz LLLZDTQQDCKUED-UHFFFAOYSA-N 1 0 491.661 2.929 50 0 JFAARO Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)C3)c12 ZINC000009228936 555002826 /nfs/dbraw/zinc/00/28/26/555002826.db2.gz UCVWGHWVTOUFRF-LJQANCHMSA-N 1 0 481.576 2.610 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000009347884 555114075 /nfs/dbraw/zinc/11/40/75/555114075.db2.gz IOCAYCTUXKSDNB-KKBCGBJISA-N 1 0 495.551 2.852 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2)CC1 ZINC000009367860 555130469 /nfs/dbraw/zinc/13/04/69/555130469.db2.gz ATXXBJPJIZRCNR-JOCHJYFZSA-N 1 0 472.611 2.538 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)cc2)CC1 ZINC000009367859 555130521 /nfs/dbraw/zinc/13/05/21/555130521.db2.gz ATXXBJPJIZRCNR-QFIPXVFZSA-N 1 0 472.611 2.538 50 0 JFAARO CSCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009410821 555177903 /nfs/dbraw/zinc/17/79/03/555177903.db2.gz BFGDSDZGLZGUPX-IBGZPJMESA-N 1 0 476.046 2.507 50 0 JFAARO Cn1c2nc(SCC[NH+]3CCCCC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000009468304 555247688 /nfs/dbraw/zinc/24/76/88/555247688.db2.gz FYOSERBBRJETOO-UHFFFAOYSA-N 1 0 492.443 2.823 50 0 JFAARO COc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000009491195 555268236 /nfs/dbraw/zinc/26/82/36/555268236.db2.gz UQJRURJKCINCKX-UHFFFAOYSA-N 1 0 473.614 2.851 50 0 JFAARO CC(C)CN(C(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009514155 555304629 /nfs/dbraw/zinc/30/46/29/555304629.db2.gz LTEKPAWAVGUTQU-HXUWFJFHSA-N 1 0 455.603 2.773 50 0 JFAARO CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NCC[NH+]3CCCCCC3)c2)on1 ZINC000009638003 555346246 /nfs/dbraw/zinc/34/62/46/555346246.db2.gz PWTLCJWPFXDJNO-UHFFFAOYSA-N 1 0 451.545 2.681 50 0 JFAARO CC1CC[NH+](CCCNC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CC1 ZINC000009646945 555360160 /nfs/dbraw/zinc/36/01/60/555360160.db2.gz KXXKFCBSCUIFOG-UHFFFAOYSA-N 1 0 487.464 2.587 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1OC ZINC000013163823 555362777 /nfs/dbraw/zinc/36/27/77/555362777.db2.gz QINFSACTIYOUKK-UHFFFAOYSA-N 1 0 467.632 2.530 50 0 JFAARO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013164005 555363414 /nfs/dbraw/zinc/36/34/14/555363414.db2.gz ZXRMAVYUYZHDBU-UHFFFAOYSA-N 1 0 468.557 2.556 50 0 JFAARO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000009671452 555391097 /nfs/dbraw/zinc/39/10/97/555391097.db2.gz ZJQBYCDETKOJRH-UHFFFAOYSA-N 1 0 484.622 2.680 50 0 JFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009591538 555405513 /nfs/dbraw/zinc/40/55/13/555405513.db2.gz HMUGDDKAKPTUJU-JOCHJYFZSA-N 1 0 499.633 2.639 50 0 JFAARO Cc1nc2c(c(C)c1CCC(=O)Nc1ccc(C[NH+]3CCCCC3)cc1)c(=O)n(C)c(=O)n2C ZINC000009610458 555441109 /nfs/dbraw/zinc/44/11/09/555441109.db2.gz CNULTBKRQWRCPA-UHFFFAOYSA-N 1 0 463.582 2.806 50 0 JFAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000009714540 555443850 /nfs/dbraw/zinc/44/38/50/555443850.db2.gz LJGFBBRQVVHJIT-UHFFFAOYSA-N 1 0 460.582 2.937 50 0 JFAARO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009619051 555455931 /nfs/dbraw/zinc/45/59/31/555455931.db2.gz SLVROPBJHMRRMB-UHFFFAOYSA-N 1 0 479.643 2.635 50 0 JFAARO CCn1cc(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009725599 555458404 /nfs/dbraw/zinc/45/84/04/555458404.db2.gz HNVKQEWHTPQHPX-UHFFFAOYSA-N 1 0 498.649 2.912 50 0 JFAARO COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1 ZINC000009747933 555479793 /nfs/dbraw/zinc/47/97/93/555479793.db2.gz XFKQLTPLEYTZDU-UHFFFAOYSA-N 1 0 458.584 2.591 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000013554304 555493235 /nfs/dbraw/zinc/49/32/35/555493235.db2.gz JLCKGBJATVXWHP-ZUVQJFRASA-N 1 0 463.509 2.827 50 0 JFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(Br)cc23)c1 ZINC000013591907 555526391 /nfs/dbraw/zinc/52/63/91/555526391.db2.gz XGURYEGZSFRVIY-YRMIPTGESA-N 1 0 490.354 2.611 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000013592310 555527265 /nfs/dbraw/zinc/52/72/65/555527265.db2.gz QHZCHJSJBAKUBJ-UTYIPXEPSA-N 1 0 457.914 2.662 50 0 JFAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3CCCCCC3)c3ccccc3c2=O)cc1 ZINC000009833532 555536373 /nfs/dbraw/zinc/53/63/73/555536373.db2.gz CAPDOIUJJURPQT-UHFFFAOYSA-N 1 0 491.592 2.506 50 0 JFAARO CCc1nn(CC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c(=O)c2cc3sccc3n21 ZINC000009848538 555550914 /nfs/dbraw/zinc/55/09/14/555550914.db2.gz GMFUCCFTJVLGMW-UHFFFAOYSA-N 1 0 484.670 2.730 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)CC1 ZINC000020108843 555643964 /nfs/dbraw/zinc/64/39/64/555643964.db2.gz UBTJKYGRVODZEU-IZZNHLLZSA-N 1 0 496.627 2.897 50 0 JFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OCc1ccccc1 ZINC000013942023 555653009 /nfs/dbraw/zinc/65/30/09/555653009.db2.gz XIWCJKXPVDSZRN-UHFFFAOYSA-N 1 0 476.331 2.522 50 0 JFAARO C[NH+]1CCN(CCN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115186 555653075 /nfs/dbraw/zinc/65/30/75/555653075.db2.gz ABMZRDVBHLTRMF-OAQYLSRUSA-N 1 0 486.041 2.918 50 0 JFAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NCCCOC(C)C)cc12 ZINC000020136294 555660381 /nfs/dbraw/zinc/66/03/81/555660381.db2.gz MYHUDGUKONIEHL-UHFFFAOYSA-N 1 0 455.603 2.945 50 0 JFAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCCN4CCOCC4)ccc3n2)CC1 ZINC000020153516 555672765 /nfs/dbraw/zinc/67/27/65/555672765.db2.gz YTDOOVYNWDKVNX-UHFFFAOYSA-N 1 0 456.660 2.694 50 0 JFAARO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014169739 555721634 /nfs/dbraw/zinc/72/16/34/555721634.db2.gz AOFKZORVJXZMFG-UHFFFAOYSA-N 1 0 495.601 2.624 50 0 JFAARO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000010813525 555741809 /nfs/dbraw/zinc/74/18/09/555741809.db2.gz CJNFPPJJOKKBTJ-UHFFFAOYSA-N 1 0 479.643 2.689 50 0 JFAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020262898 555745137 /nfs/dbraw/zinc/74/51/37/555745137.db2.gz ZJTSYYRVMQIOTN-UHFFFAOYSA-N 1 0 482.512 2.969 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Cc1ccccc1 ZINC000014244080 555745415 /nfs/dbraw/zinc/74/54/15/555745415.db2.gz YFXZADRDCFRLHG-DEOSSOPVSA-N 1 0 469.651 2.865 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283659 555753217 /nfs/dbraw/zinc/75/32/17/555753217.db2.gz SZYPJJJESAFUIG-XMMPIXPASA-N 1 0 494.592 2.693 50 0 JFAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000014252388 555754399 /nfs/dbraw/zinc/75/43/99/555754399.db2.gz SGWDIKIJGIWORB-SFHVURJKSA-N 1 0 466.003 2.572 50 0 JFAARO Cc1csc([C@@H](C)N(C)C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(CC[NH+](C)C)C2=O)n1 ZINC000011784135 555815550 /nfs/dbraw/zinc/81/55/50/555815550.db2.gz CCFBCXWJIFWJAY-MWTRTKDXSA-N 1 0 460.575 2.759 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000014531869 555819272 /nfs/dbraw/zinc/81/92/72/555819272.db2.gz YZTCBVPHHCJPFO-UHFFFAOYSA-N 1 0 479.577 2.752 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565259 555819804 /nfs/dbraw/zinc/81/98/04/555819804.db2.gz WJDCFOGXPHQGOP-UHFFFAOYSA-N 1 0 468.627 2.522 50 0 JFAARO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cnn(-c3ccccc3OC)c1)CC2 ZINC000014532206 555819884 /nfs/dbraw/zinc/81/98/84/555819884.db2.gz MYZORZDHZZQSCD-UHFFFAOYSA-N 1 0 469.586 2.782 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020566631 555820777 /nfs/dbraw/zinc/82/07/77/555820777.db2.gz FUUWESJRHWQYMX-CMCWBKRRSA-N 1 0 453.926 2.809 50 0 JFAARO CC[NH+](CC)CCN(C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011790163 555825686 /nfs/dbraw/zinc/82/56/86/555825686.db2.gz GHLYLZVUQFHKEK-VWLOTQADSA-N 1 0 454.546 2.608 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(COC)o1)CC2 ZINC000014536541 555825728 /nfs/dbraw/zinc/82/57/28/555825728.db2.gz MBUKRJHUZLXRSG-UHFFFAOYSA-N 1 0 470.570 2.699 50 0 JFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 ZINC000011839141 555832245 /nfs/dbraw/zinc/83/22/45/555832245.db2.gz FQVLELOTJWUMOB-IPXVJXLASA-N 1 0 453.587 2.708 50 0 JFAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000020600110 555841441 /nfs/dbraw/zinc/84/14/41/555841441.db2.gz YKYFKWFRDHCRPL-YWEHKCAJSA-N 1 0 492.620 2.736 50 0 JFAARO COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000014999557 555843946 /nfs/dbraw/zinc/84/39/46/555843946.db2.gz CRFOIFYHORLCKQ-VWLOTQADSA-N 1 0 491.636 2.579 50 0 JFAARO COCCN1C(=O)c2cccc(N3CCC(C(=O)N(CC[NH+](C)C)Cc4ccccc4)CC3)c2C1=O ZINC000015000993 555845858 /nfs/dbraw/zinc/84/58/58/555845858.db2.gz IGLKXZZVERJLDW-UHFFFAOYSA-N 1 0 492.620 2.736 50 0 JFAARO CCOc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)ccc1O ZINC000020775300 555847655 /nfs/dbraw/zinc/84/76/55/555847655.db2.gz NSTCQLGMLVOYOZ-KRWDZBQOSA-N 1 0 465.554 2.940 50 0 JFAARO COc1ccc(CCS(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)N2CC[NH+](C)CC2)cc1 ZINC000020890661 555848354 /nfs/dbraw/zinc/84/83/54/555848354.db2.gz QLEBVIYTBJQJBX-DEOSSOPVSA-N 1 0 456.612 2.627 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1OC ZINC000011880894 555848975 /nfs/dbraw/zinc/84/89/75/555848975.db2.gz BBVBHLHKHVFYII-GOSISDBHSA-N 1 0 495.580 2.618 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011903885 555851906 /nfs/dbraw/zinc/85/19/06/555851906.db2.gz DCQSLSLFLHEAHN-GBXCKJPGSA-N 1 0 482.606 2.951 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011903887 555851957 /nfs/dbraw/zinc/85/19/57/555851957.db2.gz DCQSLSLFLHEAHN-RDPSFJRHSA-N 1 0 482.606 2.951 50 0 JFAARO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000011967275 555872620 /nfs/dbraw/zinc/87/26/20/555872620.db2.gz MGIFWPLUSYHJLL-INIZCTEOSA-N 1 0 464.536 2.874 50 0 JFAARO COc1cc(C[C@@H]2CC(C[NH2+]CCc3ccc(OC)c(OC)c3)=NO2)c(OC)c2c1OCO2 ZINC000015081405 555872976 /nfs/dbraw/zinc/87/29/76/555872976.db2.gz GAAJKEBFGWVDNP-GOSISDBHSA-N 1 0 458.511 2.969 50 0 JFAARO CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)C1=O ZINC000011997967 555880327 /nfs/dbraw/zinc/88/03/27/555880327.db2.gz ORNSBWDQICCDPE-OAQYLSRUSA-N 1 0 491.635 2.505 50 0 JFAARO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCC1([NH+]2CCC(C)CC2)CCCCC1 ZINC000011998512 555881047 /nfs/dbraw/zinc/88/10/47/555881047.db2.gz BTKHJVNZZSVKOW-UHFFFAOYSA-N 1 0 497.683 2.775 50 0 JFAARO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998651 555881531 /nfs/dbraw/zinc/88/15/31/555881531.db2.gz OWXPTTAGIJSOPW-FQEVSTJZSA-N 1 0 461.971 2.973 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)[NH+]2CCC(C)CC2)cc1 ZINC000011998764 555881916 /nfs/dbraw/zinc/88/19/16/555881916.db2.gz KXHGBLSTPHAVHC-QHCPKHFHSA-N 1 0 485.606 2.965 50 0 JFAARO Cc1ccc(CN2Cc3ccccc3N(CC(=O)N3CCC([N@@H+]4CCNC(=O)CC4)CC3)C2=O)cc1 ZINC000012035035 555888530 /nfs/dbraw/zinc/88/85/30/555888530.db2.gz PRPRTOUOBAHPER-UHFFFAOYSA-N 1 0 489.620 2.750 50 0 JFAARO C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CCc3ccccc3C2)(c2ccccc2Cl)C1=O ZINC000012037296 555890359 /nfs/dbraw/zinc/89/03/59/555890359.db2.gz KJHBQMAUVMRGGC-RUZDIDTESA-N 1 0 453.970 2.873 50 0 JFAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015505290 555911802 /nfs/dbraw/zinc/91/18/02/555911802.db2.gz DEWVVAMZVGWVEO-LJQANCHMSA-N 1 0 497.621 2.627 50 0 JFAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 ZINC000012140783 555919365 /nfs/dbraw/zinc/91/93/65/555919365.db2.gz DIBODOHJCVOVNV-UHFFFAOYSA-N 1 0 488.635 2.834 50 0 JFAARO CC[NH+](CC)CCN(C(=O)CN1C(=O)CCC1=O)c1nc2ccc(Br)cc2s1 ZINC000012140849 555919824 /nfs/dbraw/zinc/91/98/24/555919824.db2.gz QOUBSSSLQVLJSU-UHFFFAOYSA-N 1 0 467.389 2.883 50 0 JFAARO COc1cc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(C)cc1C ZINC000015671290 555928137 /nfs/dbraw/zinc/92/81/37/555928137.db2.gz UKGYKBYDYFOOKU-UHFFFAOYSA-N 1 0 459.616 2.912 50 0 JFAARO O=C(C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000012247779 555946913 /nfs/dbraw/zinc/94/69/13/555946913.db2.gz YYYHTCDVNNKPQK-HHHXNRCGSA-N 1 0 492.645 2.708 50 0 JFAARO O=C(CSC1=NC(=O)[C@H](Cc2ccccc2)C(=O)N1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012376237 555963484 /nfs/dbraw/zinc/96/34/84/555963484.db2.gz SMXLXDCIEKIMTA-UHFFFAOYSA-N 1 0 494.661 2.704 50 0 JFAARO C=C1C(N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732952 555977636 /nfs/dbraw/zinc/97/76/36/555977636.db2.gz JVWOVFPLZDFUQA-UHFFFAOYSA-N 1 0 458.628 2.700 50 0 JFAARO COc1ccc2c(c1)C[C@H](C(=O)NCCC[N@H+](CCN1CCOCC1)Cc1cccs1)CO2 ZINC000022938013 555990995 /nfs/dbraw/zinc/99/09/95/555990995.db2.gz PSFCJJCBLOTAPM-NRFANRHFSA-N 1 0 473.639 2.649 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N2C(C)=O ZINC000015776027 555995702 /nfs/dbraw/zinc/99/57/02/555995702.db2.gz YJFWWTNZDJFXSL-DEOSSOPVSA-N 1 0 492.686 2.766 50 0 JFAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCCC4)C3)ccc21 ZINC000015784476 556003539 /nfs/dbraw/zinc/00/35/39/556003539.db2.gz YWZKILBGPHXQOF-OAQYLSRUSA-N 1 0 460.644 2.961 50 0 JFAARO Cc1ccccc1-n1c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nnc1N1CCOCC1 ZINC000012533917 556006206 /nfs/dbraw/zinc/00/62/06/556006206.db2.gz SQWGGGUMSQUSJO-QFIPXVFZSA-N 1 0 480.638 2.924 50 0 JFAARO O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786781 556006439 /nfs/dbraw/zinc/00/64/39/556006439.db2.gz ORQBKJYVCVFWEJ-UHFFFAOYSA-N 1 0 472.542 2.825 50 0 JFAARO O=C(C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000023129006 556018135 /nfs/dbraw/zinc/01/81/35/556018135.db2.gz OMFFGTHLQIKIGK-AREMUKBSSA-N 1 0 481.618 2.658 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CC[N@@H+](Cc1ccccc1C)CC2 ZINC000023144910 556023177 /nfs/dbraw/zinc/02/31/77/556023177.db2.gz MPQJIGVSGDRXRH-UHFFFAOYSA-N 1 0 452.580 2.952 50 0 JFAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)C2 ZINC000023251376 556035265 /nfs/dbraw/zinc/03/52/65/556035265.db2.gz CCVNCGOXPMZOHX-ZAAPKLDPSA-N 1 0 483.726 2.909 50 0 JFAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2)C1 ZINC000023257879 556036570 /nfs/dbraw/zinc/03/65/70/556036570.db2.gz JPCKFZXZSRBKHR-PMACEKPBSA-N 1 0 497.105 2.860 50 0 JFAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000015864313 556039432 /nfs/dbraw/zinc/03/94/32/556039432.db2.gz WETLKTXXTUBQBA-UHFFFAOYSA-N 1 0 473.639 2.907 50 0 JFAARO COc1ccc(-c2nc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cs2)cc1OC ZINC000023318606 556040471 /nfs/dbraw/zinc/04/04/71/556040471.db2.gz SWPQSCXHOLVXTD-UHFFFAOYSA-N 1 0 453.568 2.904 50 0 JFAARO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1 ZINC000015869724 556048923 /nfs/dbraw/zinc/04/89/23/556048923.db2.gz KCNLXIKSEJMLFT-SFHVURJKSA-N 1 0 472.659 2.629 50 0 JFAARO Cc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959433 556091361 /nfs/dbraw/zinc/09/13/61/556091361.db2.gz HUFTWKFMYFEESC-APSVEGKFSA-N 1 0 481.552 2.906 50 0 biogenic JFAARO Cc1ccc2c(c1)[C@@]1([NH2+][C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959436 556091441 /nfs/dbraw/zinc/09/14/41/556091441.db2.gz HUFTWKFMYFEESC-ANARSLNQSA-N 1 0 481.552 2.906 50 0 biogenic JFAARO CCn1c(=O)c2ccccc2n(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1=O ZINC000023908848 556100502 /nfs/dbraw/zinc/10/05/02/556100502.db2.gz BSVNVNYNSXQJDO-UHFFFAOYSA-N 1 0 456.546 2.681 50 0 JFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016012738 556111671 /nfs/dbraw/zinc/11/16/71/556111671.db2.gz XRKRKVXSSIRFFM-LAWREARLSA-N 1 0 487.487 2.708 50 0 JFAARO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023990177 556114374 /nfs/dbraw/zinc/11/43/74/556114374.db2.gz VZXXWVRKJQHEDY-IBGZPJMESA-N 1 0 478.618 2.583 50 0 JFAARO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021923 556114417 /nfs/dbraw/zinc/11/44/17/556114417.db2.gz ZPBIKPSGTQLFCT-FDGPYGQJSA-N 1 0 453.539 2.542 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024479 556115104 /nfs/dbraw/zinc/11/51/04/556115104.db2.gz NBHYGULQCYBWMP-YDLHNXBPSA-N 1 0 453.926 2.807 50 0 JFAARO CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)C1=O ZINC000024023654 556116908 /nfs/dbraw/zinc/11/69/08/556116908.db2.gz JPTCHOIHHPQXDM-XMMPIXPASA-N 1 0 469.973 2.888 50 0 JFAARO COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000012907704 556126847 /nfs/dbraw/zinc/12/68/47/556126847.db2.gz BMYMGFNQPUIULP-UHFFFAOYSA-N 1 0 451.976 2.999 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)C=C(NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000025183400 556203677 /nfs/dbraw/zinc/20/36/77/556203677.db2.gz PIIXKNAQPRBRII-UHFFFAOYSA-N 1 0 480.540 2.561 50 0 JFAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013069496 556266112 /nfs/dbraw/zinc/26/61/12/556266112.db2.gz DVSBGSQVCKEQER-SFHVURJKSA-N 1 0 484.043 2.989 50 0 JFAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000013115583 556322794 /nfs/dbraw/zinc/32/27/94/556322794.db2.gz ZMPKBVRJMGQVAN-OPYAIIAOSA-N 1 0 461.584 2.644 50 0 JFAARO C[NH+]1CCN(C[C@H](CN2C(=O)c3ccccc3C2=O)OC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000028293218 556329329 /nfs/dbraw/zinc/32/93/29/556329329.db2.gz XXVFFGVZIQINDP-OJLWIZQOSA-N 1 0 467.953 2.809 50 0 JFAARO CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC3([NH+](C)C)CCCC3)cc2)cc1 ZINC000032921877 556541371 /nfs/dbraw/zinc/54/13/71/556541371.db2.gz APTLXZFKHGFLBR-UHFFFAOYSA-N 1 0 457.596 2.972 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000008710965 569595880 /nfs/dbraw/zinc/59/58/80/569595880.db2.gz BDXUQXFYQHLMEB-NRFANRHFSA-N 1 0 470.639 2.932 50 0 JFAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1F ZINC000008723269 569599125 /nfs/dbraw/zinc/59/91/25/569599125.db2.gz VTTQJTHJFQLNOY-UHFFFAOYSA-N 1 0 463.897 2.942 50 0 JFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414723 569600116 /nfs/dbraw/zinc/60/01/16/569600116.db2.gz OLDRZHHWDXBFLW-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000058147939 569602071 /nfs/dbraw/zinc/60/20/71/569602071.db2.gz BOTJNBRFKWKVOT-MSOLQXFVSA-N 1 0 454.546 2.959 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2OC)O3)CC1 ZINC000032983751 569607009 /nfs/dbraw/zinc/60/70/09/569607009.db2.gz JSPKHYVIGAHGDD-MOHJPFBDSA-N 1 0 464.566 2.825 50 0 JFAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2)C1 ZINC000060341427 569608837 /nfs/dbraw/zinc/60/88/37/569608837.db2.gz IIXCLHLTBOHKNI-QFIPXVFZSA-N 1 0 478.593 2.640 50 0 JFAARO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000062580168 569611688 /nfs/dbraw/zinc/61/16/88/569611688.db2.gz IMDVKQBPKYJABY-NRFANRHFSA-N 1 0 466.504 2.812 50 0 JFAARO O=C(CN1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1)Nc1ccc(F)cc1 ZINC000062588267 569612091 /nfs/dbraw/zinc/61/20/91/569612091.db2.gz ZBUIADQZCZZALQ-UHFFFAOYSA-N 1 0 485.629 2.569 50 0 JFAARO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 ZINC000062620891 569613366 /nfs/dbraw/zinc/61/33/66/569613366.db2.gz FXBFGMDKJBPEME-NDEPHWFRSA-N 1 0 491.636 2.805 50 0 JFAARO Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCN4CC[NH+](C)CC4)cc3)n2)cc1 ZINC000032999070 569613436 /nfs/dbraw/zinc/61/34/36/569613436.db2.gz HUXCCIAJPFLWMF-UHFFFAOYSA-N 1 0 463.607 2.669 50 0 JFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008900 569615905 /nfs/dbraw/zinc/61/59/05/569615905.db2.gz NWYXRVCYDFVGLP-UHFFFAOYSA-N 1 0 453.612 2.979 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC000033024543 569620008 /nfs/dbraw/zinc/62/00/08/569620008.db2.gz YNPKSEXXOWNIES-SFHVURJKSA-N 1 0 498.653 2.942 50 0 JFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024599 569620052 /nfs/dbraw/zinc/62/00/52/569620052.db2.gz FIVRGBJQCIISBD-QGZVFWFLSA-N 1 0 484.626 2.633 50 0 JFAARO O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NCC[NH+]1CCCCC1 ZINC000033024940 569620368 /nfs/dbraw/zinc/62/03/68/569620368.db2.gz ARYJYWAEHMZPKL-UHFFFAOYSA-N 1 0 484.626 2.635 50 0 JFAARO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCN4CC[NH+](C)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064704148 569624709 /nfs/dbraw/zinc/62/47/09/569624709.db2.gz LZSLHCJUPQFMKU-UHFFFAOYSA-N 1 0 498.701 2.776 50 0 JFAARO COc1cccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c1 ZINC000064836030 569636784 /nfs/dbraw/zinc/63/67/84/569636784.db2.gz KRCRMNWISLQQFQ-UHFFFAOYSA-N 1 0 457.534 2.530 50 0 JFAARO Cc1ccsc1CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1 ZINC000064836172 569636814 /nfs/dbraw/zinc/63/68/14/569636814.db2.gz VTRSDXWGBTZEEP-UHFFFAOYSA-N 1 0 461.591 2.934 50 0 JFAARO C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCC[N@@H+]3CCc4ccccc4C3)s2)C1 ZINC000064836869 569636950 /nfs/dbraw/zinc/63/69/50/569636950.db2.gz NFMBJUJVGQIHSU-QGZVFWFLSA-N 1 0 466.611 2.566 50 0 JFAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064873569 569641171 /nfs/dbraw/zinc/64/11/71/569641171.db2.gz VJJYDSCFDYWUQM-UHFFFAOYSA-N 1 0 459.594 2.873 50 0 JFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)NCC[NH+]=C2NCc1cc(F)cc(F)c1 ZINC000065074701 569657297 /nfs/dbraw/zinc/65/72/97/569657297.db2.gz QTLZOVMYQXBAKH-UHFFFAOYSA-N 1 0 468.957 2.933 50 0 biogenic JFAARO CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc3c(c2)OCO3)cc1 ZINC000065074624 569657313 /nfs/dbraw/zinc/65/73/13/569657313.db2.gz HPTAKDLXXCUCKJ-UHFFFAOYSA-N 1 0 484.622 2.683 50 0 biogenic JFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cc(F)cc(F)c2)cc1 ZINC000065074867 569657420 /nfs/dbraw/zinc/65/74/20/569657420.db2.gz HGHPOWUAODOSPF-UHFFFAOYSA-N 1 0 462.566 2.842 50 0 biogenic JFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2OC)cc1 ZINC000065074872 569657601 /nfs/dbraw/zinc/65/76/01/569657601.db2.gz CLDHLUZDPCRRTN-UHFFFAOYSA-N 1 0 456.612 2.572 50 0 biogenic JFAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c(C)c1C ZINC000065363354 569675220 /nfs/dbraw/zinc/67/52/20/569675220.db2.gz COLVCXRRGWWNRH-UHFFFAOYSA-N 1 0 459.616 2.912 50 0 JFAARO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cn1C ZINC000035376322 569684840 /nfs/dbraw/zinc/68/48/40/569684840.db2.gz UBSNSEZMGXKDKD-OAQYLSRUSA-N 1 0 488.610 2.589 50 0 JFAARO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cn1C ZINC000035376323 569684902 /nfs/dbraw/zinc/68/49/02/569684902.db2.gz UBSNSEZMGXKDKD-NRFANRHFSA-N 1 0 488.610 2.589 50 0 JFAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399155 569689732 /nfs/dbraw/zinc/68/97/32/569689732.db2.gz SUQSDAISQHJPPE-OAQYLSRUSA-N 1 0 490.670 2.521 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035403370 569691391 /nfs/dbraw/zinc/69/13/91/569691391.db2.gz NFYIESVHRUHBQU-UHFFFAOYSA-N 1 0 498.653 2.633 50 0 JFAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CCc3c(C)[nH]c(C(=O)OCC)c3C)C2)CC1 ZINC000035447509 569696171 /nfs/dbraw/zinc/69/61/71/569696171.db2.gz NOMZAJDUXYPKLE-FQEVSTJZSA-N 1 0 460.619 2.534 50 0 JFAARO Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035448304 569696412 /nfs/dbraw/zinc/69/64/12/569696412.db2.gz DNYUYJXTHCCBOB-UHFFFAOYSA-N 1 0 458.570 2.640 50 0 JFAARO CC(C)C[C@H](CNC(=O)N[C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)N1CCOCC1 ZINC000071846868 569698911 /nfs/dbraw/zinc/69/89/11/569698911.db2.gz LQQLSICXMIIJOV-JWQCQUIFSA-N 1 0 459.679 2.800 50 0 JFAARO CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000035559806 569704075 /nfs/dbraw/zinc/70/40/75/569704075.db2.gz GOXRMEWUJGYWKY-DEOSSOPVSA-N 1 0 498.649 2.844 50 0 JFAARO CNc1nn2c(nc(C)c(CCC(=O)N(C)CCC[NH+](C)C)c2C)c1S(=O)(=O)c1ccccc1 ZINC000085393563 569710087 /nfs/dbraw/zinc/71/00/87/569710087.db2.gz OZDJQCXGSMJMAQ-UHFFFAOYSA-N 1 0 486.642 2.563 50 0 JFAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000085652053 569713884 /nfs/dbraw/zinc/71/38/84/569713884.db2.gz IKWKCRGYVKNJLU-IBGZPJMESA-N 1 0 471.583 2.575 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3ccc(C)c2C)cc1 ZINC000035877569 569719821 /nfs/dbraw/zinc/71/98/21/569719821.db2.gz JKOSDNYQCOIACX-YSHIBNCASA-N 1 0 451.523 2.625 50 0 JFAARO C[C@@H](CNC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000089901030 569720372 /nfs/dbraw/zinc/72/03/72/569720372.db2.gz NZBUKIULPNHPQM-IBGZPJMESA-N 1 0 471.568 2.628 50 0 JFAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000095241502 569722175 /nfs/dbraw/zinc/72/21/75/569722175.db2.gz VGTLVGOKNSTVHO-QFIPXVFZSA-N 1 0 456.974 2.782 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(C)C)[NH2+][C@@]32c3ccccc3NC2=O)cc1OC ZINC000095346217 569722419 /nfs/dbraw/zinc/72/24/19/569722419.db2.gz WERCRISNVZOEAQ-JYYLQKJRSA-N 1 0 477.561 2.713 50 0 JFAARO O=C(NCCCN1CCOCC1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894137 569722848 /nfs/dbraw/zinc/72/28/48/569722848.db2.gz RMXIJQFKDLQBCY-RSXGOPAZSA-N 1 0 466.601 2.527 50 0 JFAARO COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3c(c1)ncn3CCC[NH+](C)C)C=C2 ZINC000095475296 569724237 /nfs/dbraw/zinc/72/42/37/569724237.db2.gz DTPGLNMLUZFOEI-UHFFFAOYSA-N 1 0 477.565 2.999 50 0 JFAARO Cc1ccc2c(c1)c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2CC(=O)NCC[NH+]1CCCC1 ZINC000095536150 569725598 /nfs/dbraw/zinc/72/55/98/569725598.db2.gz WWNYTRQWQVRYTR-UHFFFAOYSA-N 1 0 475.376 2.980 50 0 JFAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000095540874 569726500 /nfs/dbraw/zinc/72/65/00/569726500.db2.gz YAVRCYWCZWJLKW-UHFFFAOYSA-N 1 0 496.974 2.597 50 0 JFAARO COc1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000096191555 569737149 /nfs/dbraw/zinc/73/71/49/569737149.db2.gz MLYIKHBVCYVNED-GOEBONIOSA-N 1 0 485.400 2.917 50 0 JFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(c4ccc(S(=O)(=O)CC)cc4)CC3)C2=O)cc1 ZINC000100196364 569755147 /nfs/dbraw/zinc/75/51/47/569755147.db2.gz JEYVWFQQDHHQSK-HSZRJFAPSA-N 1 0 485.606 2.769 50 0 JFAARO O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000036589945 569777100 /nfs/dbraw/zinc/77/71/00/569777100.db2.gz QQCZQYWQUKJKPO-OAQYLSRUSA-N 1 0 478.549 2.601 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000036648973 569779709 /nfs/dbraw/zinc/77/97/09/569779709.db2.gz WCMGKZZQJMHYCG-AREMUKBSSA-N 1 0 476.581 3.092 50 0 JFAARO C[NH+](C)CCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000037277320 569782282 /nfs/dbraw/zinc/78/22/82/569782282.db2.gz MNQPCKLEHSNNGI-UHFFFAOYSA-N 1 0 469.674 2.671 50 0 JFAARO COCC[NH+]1CCN(c2nc3nn(-c4ccc(OC)cc4)c(N)c3c(-c3cccc(OC)c3)n2)CC1 ZINC000037361300 569784149 /nfs/dbraw/zinc/78/41/49/569784149.db2.gz QBPXFXWJBNRJNZ-UHFFFAOYSA-N 1 0 489.580 2.850 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(C)c3)cc21 ZINC000037511413 569791537 /nfs/dbraw/zinc/79/15/37/569791537.db2.gz KVIBQZVLVZYSNM-IBGZPJMESA-N 1 0 467.566 2.829 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3C)cc21 ZINC000037511481 569791604 /nfs/dbraw/zinc/79/16/04/569791604.db2.gz CUBXHSDURSFTBN-SFHVURJKSA-N 1 0 485.556 2.968 50 0 JFAARO COc1cccc(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)NCC[NH+]2CCCCC2)C(=O)CO3)c1 ZINC000037511929 569791944 /nfs/dbraw/zinc/79/19/44/569791944.db2.gz UFOAZTXPUOPQRV-IBGZPJMESA-N 1 0 495.576 2.673 50 0 JFAARO CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)cnc21 ZINC000040051011 569815004 /nfs/dbraw/zinc/81/50/04/569815004.db2.gz PQXVZPQALXFBFB-UHFFFAOYSA-N 1 0 484.560 2.679 50 0 JFAARO COc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC000040157252 569821423 /nfs/dbraw/zinc/82/14/23/569821423.db2.gz LEIMCHKPECQAKO-UHFFFAOYSA-N 1 0 472.611 2.706 50 0 JFAARO O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCC[NH+]3CCCCCC3)cc21 ZINC000040450534 569828504 /nfs/dbraw/zinc/82/85/04/569828504.db2.gz CXTHCYYCSOVZIM-UHFFFAOYSA-N 1 0 470.433 2.903 50 0 JFAARO CC(C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000103869028 569838690 /nfs/dbraw/zinc/83/86/90/569838690.db2.gz JOZMPOMLHIMARO-NHCUHLMSSA-N 1 0 490.651 2.529 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)C2)CC1 ZINC000049421232 569846962 /nfs/dbraw/zinc/84/69/62/569846962.db2.gz SAABGSJOLSDXCY-HXUWFJFHSA-N 1 0 494.665 2.622 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COC ZINC000105004342 569849628 /nfs/dbraw/zinc/84/96/28/569849628.db2.gz LGJTUMUMIQFOKK-SIKLNZKXSA-N 1 0 480.602 2.738 50 0 JFAARO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000109048792 569860531 /nfs/dbraw/zinc/86/05/31/569860531.db2.gz YXHWKPYAVWPRED-VAMGGRTRSA-N 1 0 477.675 2.770 50 0 JFAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000169679518 569869865 /nfs/dbraw/zinc/86/98/65/569869865.db2.gz SITHYZYGBPWPBT-GOTSBHOMSA-N 1 0 472.630 2.862 50 0 JFAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CCC(N)=O)[NH2+][C@@]23c2cc(Cl)cc(C)c2NC3=O)cc1 ZINC000229669995 570040933 /nfs/dbraw/zinc/04/09/33/570040933.db2.gz DNDWTOVLINBWLH-TWWFPWMWSA-N 1 0 456.930 2.687 50 0 JFAARO O=C1COC2(C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@@H](NS(=O)(=O)C2CC2)c2ccccc2)CN1C1CC1 ZINC000240122482 570052983 /nfs/dbraw/zinc/05/29/83/570052983.db2.gz WAAGQORWWAYZDX-AFLFNGORSA-N 1 0 473.639 2.586 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2csc(NC(C)=O)n2)CC1 ZINC000241316989 570053171 /nfs/dbraw/zinc/05/31/71/570053171.db2.gz LWROJEFOLWPCSW-AHRSYUTCSA-N 1 0 461.632 2.818 50 0 JFAARO O=C(CNC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1)N[C@H]1CCCc2ccccc21 ZINC000242302257 570053653 /nfs/dbraw/zinc/05/36/53/570053653.db2.gz YQWCTGWPYPGQTJ-RZFJZAQRSA-N 1 0 488.632 2.812 50 0 JFAARO O=C(CNC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1)N[C@@H]1CCCc2ccccc21 ZINC000242302256 570053656 /nfs/dbraw/zinc/05/36/56/570053656.db2.gz YQWCTGWPYPGQTJ-RCXJIHSJSA-N 1 0 488.632 2.812 50 0 JFAARO O=C(c1cnn2c1OCCC2)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000245015160 570054547 /nfs/dbraw/zinc/05/45/47/570054547.db2.gz LOKMKDXTMKOECF-UHFFFAOYSA-N 1 0 464.492 2.506 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000245224941 570054762 /nfs/dbraw/zinc/05/47/62/570054762.db2.gz IMGRHYGUGBKSGT-YYWHXJBOSA-N 1 0 460.600 2.644 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000245224939 570054819 /nfs/dbraw/zinc/05/48/19/570054819.db2.gz IMGRHYGUGBKSGT-JRGCBEDISA-N 1 0 460.600 2.644 50 0 JFAARO CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)CC1 ZINC000245246402 570059158 /nfs/dbraw/zinc/05/91/58/570059158.db2.gz KNZLJLNOCQFVSX-PWIZWCRZSA-N 1 0 464.657 2.622 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245343656 570067378 /nfs/dbraw/zinc/06/73/78/570067378.db2.gz VHWLCHCYPMWFEA-VAMGGRTRSA-N 1 0 464.657 2.751 50 0 JFAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000249702288 570079011 /nfs/dbraw/zinc/07/90/11/570079011.db2.gz ZAXCYTAEYWYOIT-MBOISDLSSA-N 1 0 493.585 2.997 50 0 JFAARO O=C(c1cc2n(n1)CCCO2)N1CCC([NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000252490048 570081972 /nfs/dbraw/zinc/08/19/72/570081972.db2.gz KIAMAXMZBVYGSE-UHFFFAOYSA-N 1 0 464.492 2.506 50 0 JFAARO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253400508 570096506 /nfs/dbraw/zinc/09/65/06/570096506.db2.gz DYHKAMUZHQSJCV-GXJJEBCYSA-N 1 0 473.614 2.955 50 0 biogenic JFAARO COc1cccc([C@]2(CC(=O)N3CCCC[C@@H]3c3nccs3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000299779674 570176436 /nfs/dbraw/zinc/17/64/36/570176436.db2.gz QEJZJCYQDZOPRJ-NLFFAJNJSA-N 1 0 484.622 2.854 50 0 JFAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H](c1cccnc1)N1CCOCC1 ZINC000299791296 570177071 /nfs/dbraw/zinc/17/70/71/570177071.db2.gz CUUQWJKRFAZFGC-UPVQGACJSA-N 1 0 456.562 2.644 50 0 JFAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21 ZINC000003048303 194217925 /nfs/dbraw/zinc/21/79/25/194217925.db2.gz HRDDHJCMCGQPIZ-QZTJIDSGSA-N 1 0 476.643 2.656 50 0 JFAARO Cc1nc2ncnn2c(C)c1CCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004057393 194373573 /nfs/dbraw/zinc/37/35/73/194373573.db2.gz ZPQXWIQOTQZAIM-UHFFFAOYSA-N 1 0 455.994 2.656 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[NH+]2CCCCC2)cc1 ZINC000004162289 194381528 /nfs/dbraw/zinc/38/15/28/194381528.db2.gz JKRVDUIIWYSDFY-XMMPIXPASA-N 1 0 487.622 2.673 50 0 JFAARO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009619046 194825384 /nfs/dbraw/zinc/82/53/84/194825384.db2.gz FVLYDLRXYALMPG-UHFFFAOYSA-N 1 0 463.644 2.935 50 0 JFAARO O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCc1ccccc1C[NH+]1CCCC1 ZINC000009835584 194986582 /nfs/dbraw/zinc/98/65/82/194986582.db2.gz LMFNRQWIUKZSHT-UHFFFAOYSA-N 1 0 456.550 2.954 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)CC1 ZINC000012595699 195043456 /nfs/dbraw/zinc/04/34/56/195043456.db2.gz PBTJQGIPUWQHEI-GOSISDBHSA-N 1 0 450.539 2.591 50 0 JFAARO Cc1ccc(-n2c(SCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2N2CCOCC2)cc1 ZINC000012633870 195065646 /nfs/dbraw/zinc/06/56/46/195065646.db2.gz KGWDKTXHJXNONW-QFIPXVFZSA-N 1 0 492.649 2.895 50 0 JFAARO CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(C[NH+](C)C)cc2)c(=O)[nH]c1=O ZINC000012683452 195085055 /nfs/dbraw/zinc/08/50/55/195085055.db2.gz FTFPBIWEPGPALY-UHFFFAOYSA-N 1 0 479.581 2.836 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000012752689 195106619 /nfs/dbraw/zinc/10/66/19/195106619.db2.gz YCCUXMLSFBKMJR-AREMUKBSSA-N 1 0 467.566 2.818 50 0 JFAARO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012778778 195122681 /nfs/dbraw/zinc/12/26/81/195122681.db2.gz CCRZWLJJROJMBS-UHFFFAOYSA-N 1 0 484.622 2.534 50 0 JFAARO COc1ccc([C@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000012891511 195173302 /nfs/dbraw/zinc/17/33/02/195173302.db2.gz MHXNSPBGLHSZAZ-PKTZIBPZSA-N 1 0 475.586 2.941 50 0 JFAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012892148 195173689 /nfs/dbraw/zinc/17/36/89/195173689.db2.gz CVQZJDYGYFZJEN-NRFANRHFSA-N 1 0 478.014 2.928 50 0 JFAARO CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000020687262 195205517 /nfs/dbraw/zinc/20/55/17/195205517.db2.gz PRFATOHZWUOYLC-QHCPKHFHSA-N 1 0 450.583 2.515 50 0 JFAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020757402 195216470 /nfs/dbraw/zinc/21/64/70/195216470.db2.gz VZWNONRVGYQGSA-IMIIHFCZSA-N 1 0 492.963 2.821 50 0 biogenic JFAARO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@@H+](Cc1cc(C)c(C)cc1C)CC2 ZINC000020774581 195223707 /nfs/dbraw/zinc/22/37/07/195223707.db2.gz ONACROHGEOCFDM-UHFFFAOYSA-N 1 0 477.609 2.857 50 0 JFAARO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)c2cc(C)ccc2O1 ZINC000020902424 195241709 /nfs/dbraw/zinc/24/17/09/195241709.db2.gz XTYBIZLWOXYMEM-QFIPXVFZSA-N 1 0 471.646 2.558 50 0 JFAARO Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)C3)c12 ZINC000020945143 195256702 /nfs/dbraw/zinc/25/67/02/195256702.db2.gz JDHIIVQXWOMPEL-FQEVSTJZSA-N 1 0 469.634 2.599 50 0 JFAARO COCCN1C(=O)C[C@](CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)(c2ccccc2C)C1=O ZINC000020999657 195265241 /nfs/dbraw/zinc/26/52/41/195265241.db2.gz LFUZCMISQNVEGE-AREMUKBSSA-N 1 0 483.634 2.824 50 0 JFAARO COc1ccccc1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000021534172 195310502 /nfs/dbraw/zinc/31/05/02/195310502.db2.gz FQWGOWVCLRQGRK-UHFFFAOYSA-N 1 0 459.612 2.633 50 0 JFAARO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000058331399 195377855 /nfs/dbraw/zinc/37/78/55/195377855.db2.gz QXDOMYSOJWBSIY-INIZCTEOSA-N 1 0 456.659 2.990 50 0 JFAARO COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)[NH+]2CCCC2)cc1 ZINC000021911873 195330105 /nfs/dbraw/zinc/33/01/05/195330105.db2.gz UBINYGOOMBZCMD-QHCPKHFHSA-N 1 0 473.595 2.520 50 0 JFAARO O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021944289 195339898 /nfs/dbraw/zinc/33/98/98/195339898.db2.gz OWCAQYSNCUHGRR-UHFFFAOYSA-N 1 0 482.584 2.992 50 0 JFAARO NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000058160013 195368361 /nfs/dbraw/zinc/36/83/61/195368361.db2.gz UIDXDPJAURURMN-UHFFFAOYSA-N 1 0 450.564 2.909 50 0 JFAARO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000058160765 195368942 /nfs/dbraw/zinc/36/89/42/195368942.db2.gz QXIQHUKZDAINDY-HUUCEWRRSA-N 1 0 453.511 2.664 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2csc(NC(C)=O)n2)CC1 ZINC000058166833 195370266 /nfs/dbraw/zinc/37/02/66/195370266.db2.gz LWROJEFOLWPCSW-VDGAXYAQSA-N 1 0 461.632 2.818 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2csc(NC(C)=O)n2)CC1 ZINC000058166835 195370341 /nfs/dbraw/zinc/37/03/41/195370341.db2.gz LWROJEFOLWPCSW-UXPWSPDFSA-N 1 0 461.632 2.818 50 0 JFAARO CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(N4CC[NH+](C5CC5)CC4)cc3)cc(C(C)C)nc21 ZINC000058305137 195376450 /nfs/dbraw/zinc/37/64/50/195376450.db2.gz NNUSMNNJERBFAF-UHFFFAOYSA-N 1 0 476.581 2.765 50 0 JFAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000059286680 195396738 /nfs/dbraw/zinc/39/67/38/195396738.db2.gz UWFHXOULNMTFNQ-WOJBJXKFSA-N 1 0 481.641 2.642 50 0 JFAARO CC(=O)c1ccc(N2CCN(C(=O)c3sc4ncnc(N5CC[NH+](C)CC5)c4c3C)CC2)cc1 ZINC000064957319 518348983 /nfs/dbraw/zinc/34/89/83/518348983.db2.gz RLDWYRLXITWMAO-UHFFFAOYSA-N 1 0 478.622 2.917 50 0 JFAARO CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000033121245 519045881 /nfs/dbraw/zinc/04/58/81/519045881.db2.gz WNDAUBSYWVIQKS-UHFFFAOYSA-N 1 0 486.638 2.667 50 0 JFAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263155 520618370 /nfs/dbraw/zinc/61/83/70/520618370.db2.gz MSTJRRLZIRCDDO-INIZCTEOSA-N 1 0 490.605 2.630 50 0 JFAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC3(CC1)C(=O)N(CC(N)=O)C(=O)N3CCc1ccccc1)=CC2 ZINC000014538366 520643234 /nfs/dbraw/zinc/64/32/34/520643234.db2.gz YQNSTSTUJCYXIM-VXKWHMMOSA-N 1 0 464.610 2.806 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1ccccc1 ZINC000022752890 520866290 /nfs/dbraw/zinc/86/62/90/520866290.db2.gz ACLRSXQSGCPESM-HXUWFJFHSA-N 1 0 467.599 2.754 50 0 JFAARO CCOC(=O)N1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3C)CC1 ZINC000014753533 520922097 /nfs/dbraw/zinc/92/20/97/520922097.db2.gz AFCZYFOISPXHOQ-UHFFFAOYSA-N 1 0 458.559 2.545 50 0 JFAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4c(C)cccc4C)CC3)co2)CC1 ZINC000034677783 521106347 /nfs/dbraw/zinc/10/63/47/521106347.db2.gz BEVIHYQQCHDIID-HSZRJFAPSA-N 1 0 483.657 2.923 50 0 JFAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+]3CCCCC3)cc21 ZINC000040450354 521156154 /nfs/dbraw/zinc/15/61/54/521156154.db2.gz LXHMLIJULCZGOP-UHFFFAOYSA-N 1 0 458.422 2.903 50 0 JFAARO CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N[C@H](C)CC)c2)cc1 ZINC000033121217 521209773 /nfs/dbraw/zinc/20/97/73/521209773.db2.gz HMIJMSYQWGDUPB-QGZVFWFLSA-N 1 0 460.600 2.824 50 0 JFAARO CCCn1c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020503600 521629827 /nfs/dbraw/zinc/62/98/27/521629827.db2.gz VCZFUBSQTOIABJ-UHFFFAOYSA-N 1 0 486.620 2.751 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cc2C)CC1 ZINC000016299983 521698160 /nfs/dbraw/zinc/69/81/60/521698160.db2.gz ODJHENWTHHYMFH-UHFFFAOYSA-N 1 0 495.649 2.937 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3N)cc2)CC1 ZINC000014902585 521698568 /nfs/dbraw/zinc/69/85/68/521698568.db2.gz CROOVBHZGRWYQX-UHFFFAOYSA-N 1 0 455.563 2.671 50 0 JFAARO COC(=O)c1c(OCC[NH+]2CCCCC2)cc(=O)n2c1CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000014878870 521777223 /nfs/dbraw/zinc/77/72/23/521777223.db2.gz ZGROGFBSTAPJPC-UHFFFAOYSA-N 1 0 487.984 2.852 50 0 JFAARO Cn1ccnc1CN1C[C@H](C(=O)NCC[NH+](C)C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014752317 521779870 /nfs/dbraw/zinc/77/98/70/521779870.db2.gz YPWYOXYWUINISU-ZWKOTPCHSA-N 1 0 467.536 2.634 50 0 JFAARO C[NH+](C)CCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 ZINC000033114337 521784228 /nfs/dbraw/zinc/78/42/28/521784228.db2.gz OOWYTPTWBKTLHX-UHFFFAOYSA-N 1 0 461.494 2.939 50 0 JFAARO COC(=O)c1cnn(-c2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)c1N ZINC000021652384 522349864 /nfs/dbraw/zinc/34/98/64/522349864.db2.gz CHFHILBVYXTGDZ-UHFFFAOYSA-N 1 0 496.999 2.837 50 0 JFAARO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1 ZINC000036310043 522401407 /nfs/dbraw/zinc/40/14/07/522401407.db2.gz FKRYEOOBZZZMIE-AVRDEDQJSA-N 1 0 460.596 2.733 50 0 JFAARO COc1cc(N2C[C@H](C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2=O)cc(OC)c1OC ZINC000043729329 522639431 /nfs/dbraw/zinc/63/94/31/522639431.db2.gz ABBIVUJFWKDWPV-VQIMIIECSA-N 1 0 459.518 2.624 50 0 JFAARO C[N@H+](CCCNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)C1CCCCC1 ZINC000064955560 522757701 /nfs/dbraw/zinc/75/77/01/522757701.db2.gz CFOJXBGBMGPBQD-UHFFFAOYSA-N 1 0 472.659 2.891 50 0 JFAARO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1 ZINC000036310041 522787366 /nfs/dbraw/zinc/78/73/66/522787366.db2.gz FKRYEOOBZZZMIE-GCJKJVERSA-N 1 0 460.596 2.733 50 0 JFAARO CCn1c(C(=O)N2CCC[C@H](C(=O)NCCCN3CC[NH+](CC)CC3)C2)cc2sccc21 ZINC000020382950 523113376 /nfs/dbraw/zinc/11/33/76/523113376.db2.gz CNOFPOGMWWPRBW-IBGZPJMESA-N 1 0 459.660 2.719 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)COC ZINC000036309599 523238393 /nfs/dbraw/zinc/23/83/93/523238393.db2.gz WMOXLSGGRHMALN-KNQAVFIVSA-N 1 0 480.602 2.738 50 0 JFAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC000014753422 523612315 /nfs/dbraw/zinc/61/23/15/523612315.db2.gz MLEJRGTWLQFTCJ-INIZCTEOSA-N 1 0 452.477 2.921 50 0 JFAARO CN1C(=O)C[C@](CC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)(c2ccccc2F)C1=O ZINC000014881224 523713056 /nfs/dbraw/zinc/71/30/56/523713056.db2.gz DKNAZJCWVWERLX-IDISGSTGSA-N 1 0 463.553 2.544 50 0 JFAARO CN1C(=O)c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875588 523728189 /nfs/dbraw/zinc/72/81/89/523728189.db2.gz BJZNHDOCFWEDNH-MHZLTWQESA-N 1 0 498.672 2.657 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014744304 523799538 /nfs/dbraw/zinc/79/95/38/523799538.db2.gz VBQMGSKSUOYTFE-UHFFFAOYSA-N 1 0 462.594 2.927 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014742435 523803322 /nfs/dbraw/zinc/80/33/22/523803322.db2.gz PCHHBDQCZTXGST-HXUWFJFHSA-N 1 0 494.592 2.934 50 0 JFAARO COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014879929 523804491 /nfs/dbraw/zinc/80/44/91/523804491.db2.gz JDKSGMTZSLHXGQ-VWLOTQADSA-N 1 0 455.530 2.923 50 0 JFAARO CN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000012386563 523844778 /nfs/dbraw/zinc/84/47/78/523844778.db2.gz MHDUBFOVTVZJOY-DEOSSOPVSA-N 1 0 450.583 2.722 50 0 JFAARO C[NH+]1CCN(CCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000033255189 523902022 /nfs/dbraw/zinc/90/20/22/523902022.db2.gz XEYFGHJVMKABAZ-UHFFFAOYSA-N 1 0 461.566 2.564 50 0 JFAARO COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CCN(Cc2nccs2)CC3)cc1 ZINC000014749617 523944942 /nfs/dbraw/zinc/94/49/42/523944942.db2.gz UZGYGSHFWMTXGM-UHFFFAOYSA-N 1 0 471.627 2.555 50 0 JFAARO COc1ccc(CC[NH2+]CC2=NO[C@H](Cc3cc4c(c(OC)c3OC)OCO4)C2)cc1OC ZINC000012371320 523973483 /nfs/dbraw/zinc/97/34/83/523973483.db2.gz HYYDNWAJNXXMGA-GOSISDBHSA-N 1 0 458.511 2.969 50 0 JFAARO C[NH+](C)C1(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CCCCC1 ZINC000014244274 524035257 /nfs/dbraw/zinc/03/52/57/524035257.db2.gz PEMRDFNAJLFTKA-UHFFFAOYSA-N 1 0 453.513 2.740 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(OC)c1C ZINC000014887775 524039919 /nfs/dbraw/zinc/03/99/19/524039919.db2.gz YBGSGJCKGRXJCH-UHFFFAOYSA-N 1 0 467.545 2.660 50 0 JFAARO C[NH+](C)CCCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C(=O)C(C)(C)C)CC2)C1=O ZINC000014965350 524055692 /nfs/dbraw/zinc/05/56/92/524055692.db2.gz FZXOAPTYFTZFFH-VWLOTQADSA-N 1 0 460.594 2.895 50 0 JFAARO COc1cccc([C@H](CNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)[NH+]2CCCC2)c1 ZINC000022619037 524157994 /nfs/dbraw/zinc/15/79/94/524157994.db2.gz SAXPPUMMIAOSCG-QFIPXVFZSA-N 1 0 459.612 2.934 50 0 JFAARO C[C@H](CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)[NH+]1CCCCCC1 ZINC000033170020 524191367 /nfs/dbraw/zinc/19/13/67/524191367.db2.gz RMBHMMWBEYRNEF-GOSISDBHSA-N 1 0 475.615 2.906 50 0 JFAARO COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)s2)cc1OC ZINC000033031961 524977626 /nfs/dbraw/zinc/97/76/26/524977626.db2.gz MHJFKFWUALPLCI-UHFFFAOYSA-N 1 0 485.566 2.678 50 0 JFAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000064977957 525077641 /nfs/dbraw/zinc/07/76/41/525077641.db2.gz SCFWONHPESFGBP-UHFFFAOYSA-N 1 0 492.649 2.715 50 0 JFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000012517080 525078876 /nfs/dbraw/zinc/07/88/76/525078876.db2.gz CYIXGCLZACRJTP-UHFFFAOYSA-N 1 0 450.992 2.707 50 0 JFAARO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1OC ZINC000022698293 525210492 /nfs/dbraw/zinc/21/04/92/525210492.db2.gz MPFPGRXGTHHMKS-DEOSSOPVSA-N 1 0 453.539 2.858 50 0 JFAARO COc1ccc([C@H](CNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)[NH+](C)C)cc1 ZINC000017121238 525356552 /nfs/dbraw/zinc/35/65/52/525356552.db2.gz XVTBZDBSEGCHHC-QFIPXVFZSA-N 1 0 474.627 2.631 50 0 JFAARO COc1cccc(-n2c(CNC(=O)c3cc(OC)cc(OC)c3)nnc2SCC[NH+](C)C)c1 ZINC000012243616 525746587 /nfs/dbraw/zinc/74/65/87/525746587.db2.gz XNGKJFAIGNYCDU-UHFFFAOYSA-N 1 0 471.583 2.877 50 0 JFAARO Cc1c2cnn(CC(=O)NCC[NH+]3CCCCCC3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417578 525993530 /nfs/dbraw/zinc/99/35/30/525993530.db2.gz DVCNCTLROMKQIR-UHFFFAOYSA-N 1 0 453.562 2.994 50 0 JFAARO COc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)c1 ZINC000065074839 526010029 /nfs/dbraw/zinc/01/00/29/526010029.db2.gz WRAHGXFMWSATHG-UHFFFAOYSA-N 1 0 456.612 2.627 50 0 biogenic JFAARO O=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC000033121260 526520589 /nfs/dbraw/zinc/52/05/89/526520589.db2.gz AXQRENYOCKEEGQ-INIZCTEOSA-N 1 0 496.992 2.598 50 0 JFAARO O=C(CN(C1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000045974198 526694307 /nfs/dbraw/zinc/69/43/07/526694307.db2.gz AMJYNVHYHPLWOP-UHFFFAOYSA-N 1 0 458.422 2.594 50 0 JFAARO O=C(CN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000033032806 526698869 /nfs/dbraw/zinc/69/88/69/526698869.db2.gz JTXBFJUMGOEVJB-UHFFFAOYSA-N 1 0 452.299 2.802 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CN2Cc3ccccc3O[C@H](c3ccccc3)C2)CC1 ZINC000014887952 526848431 /nfs/dbraw/zinc/84/84/31/526848431.db2.gz VXSKBBCREVAKKT-VWLOTQADSA-N 1 0 476.621 2.955 50 0 JFAARO Cn1c(=O)c(N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)C2)nc2cccnc21 ZINC000033259630 527023681 /nfs/dbraw/zinc/02/36/81/527023681.db2.gz IYQASAPQENKNSY-OAQYLSRUSA-N 1 0 492.599 2.712 50 0 JFAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)cn1 ZINC000014733392 527197125 /nfs/dbraw/zinc/19/71/25/527197125.db2.gz FIFQNMMQUXYKNI-UHFFFAOYSA-N 1 0 458.566 2.857 50 0 JFAARO O=C(Cc1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)cc1)N1CCC(O)CC1 ZINC000014887642 527235982 /nfs/dbraw/zinc/23/59/82/527235982.db2.gz IXHVXRKFBCVYKK-UHFFFAOYSA-N 1 0 474.609 2.552 50 0 JFAARO Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC000014746317 527546419 /nfs/dbraw/zinc/54/64/19/527546419.db2.gz APEAXSROOLSDKX-QFIPXVFZSA-N 1 0 459.594 2.940 50 0 JFAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000014231617 527570859 /nfs/dbraw/zinc/57/08/59/527570859.db2.gz VMQOKQUAZDULGW-UHFFFAOYSA-N 1 0 467.607 2.765 50 0 JFAARO Cc1nn(C)c2c1ccnc2N1CCC(C(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000033299150 527680908 /nfs/dbraw/zinc/68/09/08/527680908.db2.gz MBLADJNYTFSQTE-UHFFFAOYSA-N 1 0 481.689 2.950 50 0 JFAARO CCOc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CC[NH+]3CCCCC3)c(=O)n2C)cc1 ZINC000002223916 554102148 /nfs/dbraw/zinc/10/21/48/554102148.db2.gz LVEAZPQYUFBQKQ-UHFFFAOYSA-N 1 0 464.570 2.640 50 0 JFAARO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008755498 554657393 /nfs/dbraw/zinc/65/73/93/554657393.db2.gz VXTBOKNSSSTTQL-DENIHFKCSA-N 1 0 485.606 2.516 50 0 JFAARO CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000008914914 554808008 /nfs/dbraw/zinc/80/80/08/554808008.db2.gz VHIDFDZYOIBXMK-DQEYMECFSA-N 1 0 494.636 2.973 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000009208826 554977301 /nfs/dbraw/zinc/97/73/01/554977301.db2.gz MDSCTMIUWGVHIP-UHFFFAOYSA-N 1 0 498.605 2.848 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)cc2)CC1 ZINC000009221386 554990401 /nfs/dbraw/zinc/99/04/01/554990401.db2.gz PGRXDCAHBUDVDF-OAQYLSRUSA-N 1 0 480.609 2.875 50 0 JFAARO CC[NH+](CC)CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C ZINC000009498955 555283546 /nfs/dbraw/zinc/28/35/46/555283546.db2.gz NBWOOFCGWGKFAA-MRXNPFEDSA-N 1 0 461.632 2.629 50 0 JFAARO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000009666885 555380503 /nfs/dbraw/zinc/38/05/03/555380503.db2.gz NOGBRKNHVWZNKR-UHFFFAOYSA-N 1 0 455.562 2.937 50 0 JFAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCC([NH+]5CCCCC5)CC4)nc(C)n3n2)cc1 ZINC000009727726 555461689 /nfs/dbraw/zinc/46/16/89/555461689.db2.gz LYQAKWDGTXNQSD-UHFFFAOYSA-N 1 0 462.598 2.906 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000009739573 555471070 /nfs/dbraw/zinc/47/10/70/555471070.db2.gz FQVAQJMJEGUWFA-JOCHJYFZSA-N 1 0 460.575 2.759 50 0 JFAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(C(=O)OC)cc3)nc1=O)CCC2 ZINC000009746173 555477926 /nfs/dbraw/zinc/47/79/26/555477926.db2.gz PZDQHVIRGQSHNB-UHFFFAOYSA-N 1 0 472.611 2.981 50 0 JFAARO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000013550994 555491798 /nfs/dbraw/zinc/49/17/98/555491798.db2.gz BLGZQJJINCZBSF-GOSISDBHSA-N 1 0 462.019 2.578 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013572608 555511235 /nfs/dbraw/zinc/51/12/35/555511235.db2.gz HCIOYYUACOXVCD-SANUXOLBSA-N 1 0 466.401 2.721 50 0 JFAARO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000019877376 555524321 /nfs/dbraw/zinc/52/43/21/555524321.db2.gz IBZQDRLDPINSMG-OAQYLSRUSA-N 1 0 459.543 2.510 50 0 JFAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000019890138 555529537 /nfs/dbraw/zinc/52/95/37/555529537.db2.gz PPLCSHHYLQHTJV-QHCPKHFHSA-N 1 0 471.598 2.710 50 0 JFAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)[NH2+][C@@]12c1cc(C)cc(C)c1NC2=O ZINC000013607891 555532023 /nfs/dbraw/zinc/53/20/23/555532023.db2.gz GLUQWLFIXVWRKD-SWHMAYCHSA-N 1 0 456.930 2.605 50 0 JFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)c1 ZINC000013609431 555532862 /nfs/dbraw/zinc/53/28/62/555532862.db2.gz OGUNXSMESNSKAI-MBHFENSISA-N 1 0 459.930 2.811 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009838109 555542658 /nfs/dbraw/zinc/54/26/58/555542658.db2.gz BGGLAPMIZVEBGC-IBGZPJMESA-N 1 0 499.662 2.873 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)CC1 ZINC000020108845 555644068 /nfs/dbraw/zinc/64/40/68/555644068.db2.gz UBTJKYGRVODZEU-CLJLJLNGSA-N 1 0 496.627 2.897 50 0 JFAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114292 555652143 /nfs/dbraw/zinc/65/21/43/555652143.db2.gz RRMDOQYJSUVKBK-LOSJGSFVSA-N 1 0 498.599 2.507 50 0 JFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000010284315 555673462 /nfs/dbraw/zinc/67/34/62/555673462.db2.gz NCIDLMLGQLGMDC-QFIPXVFZSA-N 1 0 456.612 2.908 50 0 JFAARO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000014093322 555685769 /nfs/dbraw/zinc/68/57/69/555685769.db2.gz HIYNDROYEUHNPI-KCWPFWIISA-N 1 0 456.546 2.998 50 0 JFAARO COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)[nH]c3c2cc1OC ZINC000020234141 555725595 /nfs/dbraw/zinc/72/55/95/555725595.db2.gz POUNQTAAWGSXBE-SFHVURJKSA-N 1 0 499.637 2.629 50 0 JFAARO CCOC(=O)c1ccc2nc(CCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)n(CC)c2c1 ZINC000010814436 555741845 /nfs/dbraw/zinc/74/18/45/555741845.db2.gz DLYGHHLDCCECGL-UHFFFAOYSA-N 1 0 456.587 2.951 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)[NH+]2CCCC2)cc1 ZINC000014241217 555742213 /nfs/dbraw/zinc/74/22/13/555742213.db2.gz OCSXMTXOZRZBGK-OAQYLSRUSA-N 1 0 475.611 2.957 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288194 555756995 /nfs/dbraw/zinc/75/69/95/555756995.db2.gz RTOVEKFWQRIVHN-NFBKMPQASA-N 1 0 471.671 2.574 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288705 555758259 /nfs/dbraw/zinc/75/82/59/555758259.db2.gz FIMDZOILBUJIQJ-WMZHIEFXSA-N 1 0 489.661 2.713 50 0 JFAARO CCn1c2nnc(CCCC(=O)N3CC[NH+](C4CCCCC4)CC3)n2c2ccsc2c1=O ZINC000020530602 555797668 /nfs/dbraw/zinc/79/76/68/555797668.db2.gz PQPUCULZQLDDDC-UHFFFAOYSA-N 1 0 456.616 2.925 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557896 555809077 /nfs/dbraw/zinc/80/90/77/555809077.db2.gz DDABWWJSQKWWNW-HSZRJFAPSA-N 1 0 452.530 2.815 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014532355 555819897 /nfs/dbraw/zinc/81/98/97/555819897.db2.gz DSIPKBQHTFJFQA-UHFFFAOYSA-N 1 0 493.608 2.918 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000020566663 555820466 /nfs/dbraw/zinc/82/04/66/555820466.db2.gz HPPFOODLIUSOOA-BTKWVRSESA-N 1 0 497.979 2.976 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020566568 555820772 /nfs/dbraw/zinc/82/07/72/555820772.db2.gz CKRIEFAYLRVQTK-UAKAABGRSA-N 1 0 453.926 2.809 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566789 555820787 /nfs/dbraw/zinc/82/07/87/555820787.db2.gz RBNLYMOUHXHXMX-FVJVTNMWSA-N 1 0 498.377 2.916 50 0 JFAARO O=c1ccc(-c2ccc(S(=O)(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)s2)n[nH]1 ZINC000020583725 555837455 /nfs/dbraw/zinc/83/74/55/555837455.db2.gz DFOIGHSEOQMWSB-UHFFFAOYSA-N 1 0 462.572 2.828 50 0 JFAARO COc1cccc(CC[NH+]2CCC(CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)c1 ZINC000020583738 555837476 /nfs/dbraw/zinc/83/74/76/555837476.db2.gz HDWMUXNCAOZLDS-UHFFFAOYSA-N 1 0 488.635 2.740 50 0 JFAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000015001643 555846567 /nfs/dbraw/zinc/84/65/67/555846567.db2.gz RPLXEMKGRISWLO-ATIYNZHBSA-N 1 0 466.557 2.606 50 0 JFAARO CN(CCc1ccccc1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011909959 555856991 /nfs/dbraw/zinc/85/69/91/555856991.db2.gz UPOLRYGUJKGKKE-RUZDIDTESA-N 1 0 455.986 2.990 50 0 JFAARO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021961815 555857942 /nfs/dbraw/zinc/85/79/42/555857942.db2.gz IPXOTDVJOPECND-UHFFFAOYSA-N 1 0 451.539 2.936 50 0 JFAARO O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCC([NH+]3CCC(O)CC3)CC2)[nH]c1=O ZINC000011911118 555858572 /nfs/dbraw/zinc/85/85/72/555858572.db2.gz STJCOAWIOWSHMC-VWLOTQADSA-N 1 0 464.610 2.603 50 0 JFAARO Cc1ccc(N2CCN(C(=O)C[C@@]3(c4ccccc4F)CC(=O)N(CC[NH+](C)C)C3=O)CC2)c(C)c1 ZINC000011912577 555861299 /nfs/dbraw/zinc/86/12/99/555861299.db2.gz YQJGAXWSVYBYTQ-NDEPHWFRSA-N 1 0 494.611 2.740 50 0 JFAARO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022069632 555869981 /nfs/dbraw/zinc/86/99/81/555869981.db2.gz IWSYDVZRAZRGRN-UHFFFAOYSA-N 1 0 463.644 2.555 50 0 JFAARO CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]2CCCC[C@@H]12 ZINC000015080169 555872140 /nfs/dbraw/zinc/87/21/40/555872140.db2.gz DFHQULLQMGVPFE-BMGDILEWSA-N 1 0 457.040 2.649 50 0 JFAARO C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011973930 555874903 /nfs/dbraw/zinc/87/49/03/555874903.db2.gz SKSFETBFEHHLPF-AWEZNQCLSA-N 1 0 455.465 2.834 50 0 JFAARO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000011997621 555879686 /nfs/dbraw/zinc/87/96/86/555879686.db2.gz NDDPCJVJMINDLM-JOCHJYFZSA-N 1 0 491.635 2.567 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c2ccccc12 ZINC000012029052 555886228 /nfs/dbraw/zinc/88/62/28/555886228.db2.gz PODXVBUZPVYOAW-QFIPXVFZSA-N 1 0 457.600 2.745 50 0 JFAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3cc(C)nn3C)O2)CC1 ZINC000012037877 555891063 /nfs/dbraw/zinc/89/10/63/555891063.db2.gz XYAKWIPVNLUBRM-IBGZPJMESA-N 1 0 472.586 2.698 50 0 JFAARO CC(C)CC[C@@]1(C2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012040423 555893134 /nfs/dbraw/zinc/89/31/34/555893134.db2.gz MLQPYRRXSNZYMU-GJZUVCINSA-N 1 0 470.614 2.517 50 0 JFAARO CC(C)Cc1ccc(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)C[NH+](C)C)n3CC2)cc1 ZINC000012098497 555905470 /nfs/dbraw/zinc/90/54/70/555905470.db2.gz HWKUDELMGMXAPZ-JOCHJYFZSA-N 1 0 468.646 2.940 50 0 JFAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2ccc(C(=O)OC)cc2)CC3)CC1 ZINC000012099899 555907417 /nfs/dbraw/zinc/90/74/17/555907417.db2.gz SSIQZKQKEIHYMO-OAQYLSRUSA-N 1 0 457.571 2.812 50 0 JFAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccc(C(=O)OC)cc2)CC3)CC1 ZINC000012099898 555907444 /nfs/dbraw/zinc/90/74/44/555907444.db2.gz SSIQZKQKEIHYMO-NRFANRHFSA-N 1 0 457.571 2.812 50 0 JFAARO Cc1occc1C(=O)N1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000012134748 555913210 /nfs/dbraw/zinc/91/32/10/555913210.db2.gz NUIONDLWAXSYBI-VWLOTQADSA-N 1 0 470.545 2.674 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000022284913 555917589 /nfs/dbraw/zinc/91/75/89/555917589.db2.gz HSONEKMGGHHQLY-XDHUDOTRSA-N 1 0 454.575 2.817 50 0 JFAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCCCCC4)nc(C)n3n2)cc1 ZINC000015672122 555929361 /nfs/dbraw/zinc/92/93/61/555929361.db2.gz VYEVQTCEKJGXKD-UHFFFAOYSA-N 1 0 450.587 2.811 50 0 JFAARO Cc1c2ccc(OC[C@@H](O)C[NH+]3CCC(C(N)=O)CC3)cc2oc(=O)c1Cc1ccccc1 ZINC000012390419 555973466 /nfs/dbraw/zinc/97/34/66/555973466.db2.gz XTOUNVKAMYEELG-FQEVSTJZSA-N 1 0 450.535 2.629 50 0 JFAARO CCCN1C(=O)c2c(C(=O)NCCC[NH+]3CCCCCC3)ncn2C[C@]1(C)C(=O)NCCC(C)C ZINC000015735681 555982777 /nfs/dbraw/zinc/98/27/77/555982777.db2.gz MDKIDRFAHZQAGD-AREMUKBSSA-N 1 0 488.677 2.666 50 0 JFAARO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC[NH+](C)C)c2)cc1Br ZINC000012532653 556003725 /nfs/dbraw/zinc/00/37/25/556003725.db2.gz SMWQADLALAHQNK-UHFFFAOYSA-N 1 0 456.362 2.550 50 0 JFAARO Cc1ccc(-n2nc(C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786484 556005862 /nfs/dbraw/zinc/00/58/62/556005862.db2.gz WNMKMXMBDNFNMY-UHFFFAOYSA-N 1 0 481.984 2.535 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000023133138 556020071 /nfs/dbraw/zinc/02/00/71/556020071.db2.gz QESYPTLGFLSUHH-UXHICEINSA-N 1 0 453.630 2.869 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000023188551 556029856 /nfs/dbraw/zinc/02/98/56/556029856.db2.gz VABIHMTVPCUTKS-UHFFFAOYSA-N 1 0 484.626 2.813 50 0 JFAARO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000023203382 556031486 /nfs/dbraw/zinc/03/14/86/556031486.db2.gz HBSNBJQBRWCCDV-UHFFFAOYSA-N 1 0 491.610 2.859 50 0 JFAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000015864289 556038938 /nfs/dbraw/zinc/03/89/38/556038938.db2.gz SWOIDRBTEBPFBA-UHFFFAOYSA-N 1 0 480.428 2.634 50 0 JFAARO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1 ZINC000015869722 556048970 /nfs/dbraw/zinc/04/89/70/556048970.db2.gz KCNLXIKSEJMLFT-GOSISDBHSA-N 1 0 472.659 2.629 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000015890402 556061128 /nfs/dbraw/zinc/06/11/28/556061128.db2.gz AQEKSTLGBKNJNN-CIAFKFPVSA-N 1 0 456.697 2.692 50 0 JFAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015955075 556088069 /nfs/dbraw/zinc/08/80/69/556088069.db2.gz XOMAFEXJRPUOSK-PNOLHXSVSA-N 1 0 459.502 2.506 50 0 biogenic JFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000015956963 556088789 /nfs/dbraw/zinc/08/87/89/556088789.db2.gz DDLTZUVTLXWDNV-GIRPNKPCSA-N 1 0 453.498 2.863 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959340 556091056 /nfs/dbraw/zinc/09/10/56/556091056.db2.gz PVBCCAXXJJYJBQ-NLJXWPIHSA-N 1 0 451.526 2.892 50 0 biogenic JFAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021924 556114357 /nfs/dbraw/zinc/11/43/57/556114357.db2.gz ZPBIKPSGTQLFCT-CMCWBKRRSA-N 1 0 453.539 2.542 50 0 JFAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)[NH+]1CCCC1 ZINC000024550362 556135861 /nfs/dbraw/zinc/13/58/61/556135861.db2.gz ZHSIKAQPGCWJJE-XLIONFOSSA-N 1 0 451.523 2.730 50 0 JFAARO Cc1cc(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)ccc1N1CC[NH+](C)CC1 ZINC000024576663 556137065 /nfs/dbraw/zinc/13/70/65/556137065.db2.gz PLDLBVCQMFDYDG-LJQANCHMSA-N 1 0 481.622 2.546 50 0 JFAARO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012985683 556179246 /nfs/dbraw/zinc/17/92/46/556179246.db2.gz QNOZVJPRNALOJV-UHFFFAOYSA-N 1 0 481.549 2.886 50 0 JFAARO COc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000013004674 556196794 /nfs/dbraw/zinc/19/67/94/556196794.db2.gz UWEPBOCYZGKYGV-NRFANRHFSA-N 1 0 466.003 2.922 50 0 JFAARO COc1ccc(Cn2c(=O)c3ccccc3n(CC[NH2+]C[C@@H]3COc4ccccc4O3)c2=O)cc1 ZINC000025578926 556224323 /nfs/dbraw/zinc/22/43/23/556224323.db2.gz MHLOGGRMOVAXNR-OAQYLSRUSA-N 1 0 473.529 2.650 50 0 JFAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000018077720 556284486 /nfs/dbraw/zinc/28/44/86/556284486.db2.gz MSXBMLBAEGWVNG-SFTDATJTSA-N 1 0 470.957 2.877 50 0 JFAARO CC(C)CCN(C(=O)C[NH2+][C@@H](C)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013095355 556287435 /nfs/dbraw/zinc/28/74/35/556287435.db2.gz DFRFVBXTAVGENC-IBGZPJMESA-N 1 0 463.582 2.897 50 0 JFAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000013112390 556313363 /nfs/dbraw/zinc/31/33/63/556313363.db2.gz BEUOKOYGVKRKRJ-OQOKOFKUSA-N 1 0 461.628 2.901 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000013121260 556336947 /nfs/dbraw/zinc/33/69/47/556336947.db2.gz QVKKMHZJKBQNJH-GAJHUEQPSA-N 1 0 457.596 2.973 50 0 JFAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369819 556346614 /nfs/dbraw/zinc/34/66/14/556346614.db2.gz OSFUKEIVCIPOJC-WRWUNNQCSA-N 1 0 468.594 2.818 50 0 biogenic JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2)CC1 ZINC000032747834 556484835 /nfs/dbraw/zinc/48/48/35/556484835.db2.gz KURGTVWMLVUYMO-FQEVSTJZSA-N 1 0 486.638 2.877 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1 ZINC000032927544 556544902 /nfs/dbraw/zinc/54/49/02/556544902.db2.gz YKEFHBZDTKAQDJ-UHFFFAOYSA-N 1 0 468.417 2.999 50 0 JFAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000057383341 569599524 /nfs/dbraw/zinc/59/95/24/569599524.db2.gz SJWXCTQHEVEYQK-INIZCTEOSA-N 1 0 455.536 2.902 50 0 JFAARO COC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414939 569600386 /nfs/dbraw/zinc/60/03/86/569600386.db2.gz AQAJANLCOOCESD-QFIPXVFZSA-N 1 0 454.958 2.939 50 0 JFAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000058147947 569602180 /nfs/dbraw/zinc/60/21/80/569602180.db2.gz BOTJNBRFKWKVOT-ROUUACIJSA-N 1 0 454.546 2.959 50 0 JFAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000058147925 569602186 /nfs/dbraw/zinc/60/21/86/569602186.db2.gz BOTJNBRFKWKVOT-QZTJIDSGSA-N 1 0 454.546 2.959 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032995231 569610145 /nfs/dbraw/zinc/61/01/45/569610145.db2.gz CYVGQMNAYOYDLP-UHFFFAOYSA-N 1 0 479.050 2.910 50 0 JFAARO Cc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[NH+](C)C)cc1 ZINC000062581783 569611875 /nfs/dbraw/zinc/61/18/75/569611875.db2.gz LKAAPSNHUSPIBO-QFIPXVFZSA-N 1 0 487.622 2.586 50 0 JFAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033024440 569619890 /nfs/dbraw/zinc/61/98/90/569619890.db2.gz HKBMXQARAHADLS-UHFFFAOYSA-N 1 0 490.605 2.630 50 0 JFAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024500 569620013 /nfs/dbraw/zinc/62/00/13/569620013.db2.gz WFNUDNQKFHTXSY-UHFFFAOYSA-N 1 0 486.642 2.799 50 0 JFAARO CC[NH+](CC)CCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024830 569620320 /nfs/dbraw/zinc/62/03/20/569620320.db2.gz MRTOROBGJJLEPV-UHFFFAOYSA-N 1 0 486.642 2.799 50 0 JFAARO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776049 569627863 /nfs/dbraw/zinc/62/78/63/569627863.db2.gz QLLSTSGTZOGCEF-LJQANCHMSA-N 1 0 490.583 2.917 50 0 JFAARO C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCC[N@@H+]3CCc4ccccc4C3)s2)C1 ZINC000064836872 569636982 /nfs/dbraw/zinc/63/69/82/569636982.db2.gz NFMBJUJVGQIHSU-KRWDZBQOSA-N 1 0 466.611 2.566 50 0 JFAARO COc1ccc(-c2nn(CC(=O)NCCC[NH+]3CCCCCC3)c(=O)c3noc(C)c32)cc1 ZINC000064842117 569637526 /nfs/dbraw/zinc/63/75/26/569637526.db2.gz NNMUJBVATZNSPO-UHFFFAOYSA-N 1 0 453.543 2.751 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)CC1 ZINC000064844407 569638287 /nfs/dbraw/zinc/63/82/87/569638287.db2.gz LXJNRGHDRPIART-UHFFFAOYSA-N 1 0 450.631 2.812 50 0 JFAARO COc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000065025123 569650379 /nfs/dbraw/zinc/65/03/79/569650379.db2.gz IRLUFSMTZMHPFQ-UHFFFAOYSA-N 1 0 495.605 2.573 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@H]3C)c2)c(C)c1 ZINC000065025226 569650623 /nfs/dbraw/zinc/65/06/23/569650623.db2.gz RJCZHHYYRVZGOI-LJQANCHMSA-N 1 0 471.627 2.923 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000065061433 569655331 /nfs/dbraw/zinc/65/53/31/569655331.db2.gz JIKVGZMVOUIDQY-KRWDZBQOSA-N 1 0 466.648 2.805 50 0 JFAARO CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(OC)cc2)cc1 ZINC000065074626 569657348 /nfs/dbraw/zinc/65/73/48/569657348.db2.gz RKGRMHOVPBZGAK-UHFFFAOYSA-N 1 0 470.639 2.963 50 0 biogenic JFAARO CCC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C(C)C)CC2)CC1 ZINC000065086102 569660640 /nfs/dbraw/zinc/66/06/40/569660640.db2.gz AICJACYWGASDFL-UHFFFAOYSA-N 1 0 492.642 2.520 50 0 JFAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000065329534 569674800 /nfs/dbraw/zinc/67/48/00/569674800.db2.gz LZAVGGKFEYJCJN-UHFFFAOYSA-N 1 0 457.962 2.739 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000067338786 569688347 /nfs/dbraw/zinc/68/83/47/569688347.db2.gz PEKUZHATDUZPMG-UHFFFAOYSA-N 1 0 472.611 2.874 50 0 JFAARO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000068787636 569692184 /nfs/dbraw/zinc/69/21/84/569692184.db2.gz MKJDUPOXHMLGRV-HSZRJFAPSA-N 1 0 486.638 2.561 50 0 JFAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000035422083 569692559 /nfs/dbraw/zinc/69/25/59/569692559.db2.gz HTBNSDYPNITHPK-UHFFFAOYSA-N 1 0 475.973 2.830 50 0 JFAARO C[C@H](CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)[NH+]1CCCC1 ZINC000035445925 569695749 /nfs/dbraw/zinc/69/57/49/569695749.db2.gz QWQJPIHZLNNRIS-NFBKMPQASA-N 1 0 481.641 2.619 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1C ZINC000035447488 569696166 /nfs/dbraw/zinc/69/61/66/569696166.db2.gz NEABUXLPLGQLRY-UHFFFAOYSA-N 1 0 474.646 2.972 50 0 JFAARO CC(C)C[C@@H](CNC(=O)N[C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)N1CCOCC1 ZINC000071846867 569698918 /nfs/dbraw/zinc/69/89/18/569698918.db2.gz LQQLSICXMIIJOV-LOSJGSFVSA-N 1 0 459.679 2.800 50 0 JFAARO CC(C)C[C@@H](CNC(=O)N[C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)N1CCOCC1 ZINC000071846865 569698933 /nfs/dbraw/zinc/69/89/33/569698933.db2.gz LQQLSICXMIIJOV-DQEYMECFSA-N 1 0 459.679 2.800 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)cc2)CC1 ZINC000072434169 569703996 /nfs/dbraw/zinc/70/39/96/569703996.db2.gz CCMMFUSUPXZLGR-UHFFFAOYSA-N 1 0 474.602 2.758 50 0 JFAARO Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)NCC[NH+]3CCCCCC3)c2)ccc1=O ZINC000085652077 569713897 /nfs/dbraw/zinc/71/38/97/569713897.db2.gz XSXRBRQBPAVIDY-UHFFFAOYSA-N 1 0 485.610 2.967 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@@]32c3ccccc3NC2=O)cc1OC ZINC000095346218 569722402 /nfs/dbraw/zinc/72/24/02/569722402.db2.gz WERCRISNVZOEAQ-HGXGVQFASA-N 1 0 477.561 2.713 50 0 JFAARO O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095474947 569724230 /nfs/dbraw/zinc/72/42/30/569724230.db2.gz LCUIXFVQXVMBSK-JOCHJYFZSA-N 1 0 452.530 2.664 50 0 JFAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000035926522 569729864 /nfs/dbraw/zinc/72/98/64/569729864.db2.gz KNHXVVBBVNDBIJ-UHFFFAOYSA-N 1 0 461.566 2.763 50 0 JFAARO CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035999473 569745434 /nfs/dbraw/zinc/74/54/34/569745434.db2.gz HVRCDWHLAUUYDD-FQEVSTJZSA-N 1 0 452.942 2.624 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)c1cccc(OC)c1 ZINC000036751147 569780513 /nfs/dbraw/zinc/78/05/13/569780513.db2.gz QGJVULGUTQDODL-GJZUVCINSA-N 1 0 466.582 2.970 50 0 JFAARO COc1ccccc1-c1nc(N2CCN(CC[NH+](C)C)CC2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037358734 569783734 /nfs/dbraw/zinc/78/37/34/569783734.db2.gz IHEPTLOZXUFTOP-UHFFFAOYSA-N 1 0 490.587 2.896 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(C)c3)cc21 ZINC000037511412 569791536 /nfs/dbraw/zinc/79/15/36/569791536.db2.gz KVIBQZVLVZYSNM-LJQANCHMSA-N 1 0 467.566 2.829 50 0 JFAARO CCc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCCCC2)C(=O)CO3)cc1 ZINC000037511858 569791769 /nfs/dbraw/zinc/79/17/69/569791769.db2.gz FMJYKDKEBQMCBA-UHFFFAOYSA-N 1 0 479.577 2.838 50 0 JFAARO CCc1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NCC[NH+](CC)CC)C(=O)CO2 ZINC000037511853 569791780 /nfs/dbraw/zinc/79/17/80/569791780.db2.gz MXJBLOTVEZORJZ-UHFFFAOYSA-N 1 0 467.566 2.694 50 0 JFAARO CCc1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NCC[NH+]1CCCCC1)C(=O)CO2 ZINC000037512046 569791876 /nfs/dbraw/zinc/79/18/76/569791876.db2.gz MQVBFZSAHGPBOM-UHFFFAOYSA-N 1 0 479.577 2.838 50 0 JFAARO Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCC[NH+](C)C)C(=O)CO3)cc1C ZINC000037512118 569791948 /nfs/dbraw/zinc/79/19/48/569791948.db2.gz QKEFPBILCPOYKK-UHFFFAOYSA-N 1 0 467.566 2.749 50 0 JFAARO Cc1cccc(C)c1OCC(=O)c1ccc2c(c1)N(CCCC(=O)NCC[NH+](C)C)C(=O)CO2 ZINC000037512477 569792147 /nfs/dbraw/zinc/79/21/47/569792147.db2.gz YXSKVXDMDVUIFS-UHFFFAOYSA-N 1 0 467.566 2.749 50 0 JFAARO Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCCCC2)C(=O)CO3)c1 ZINC000037512603 569792384 /nfs/dbraw/zinc/79/23/84/569792384.db2.gz RVRLADZGMMOIBX-UHFFFAOYSA-N 1 0 479.577 2.893 50 0 JFAARO C[NH+](C)CCNC(=O)c1csc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4)cc32)n1 ZINC000037513010 569792611 /nfs/dbraw/zinc/79/26/11/569792611.db2.gz ORUFISJTKHUGKE-UHFFFAOYSA-N 1 0 494.573 2.622 50 0 JFAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](CCCc3ccccc3)CC2)n(C)c1 ZINC000040090076 569815948 /nfs/dbraw/zinc/81/59/48/569815948.db2.gz ANHGQRDUFXNNSF-UHFFFAOYSA-N 1 0 460.644 2.883 50 0 JFAARO O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000040150151 569819454 /nfs/dbraw/zinc/81/94/54/569819454.db2.gz UMGLREFEHRQFMJ-DEOSSOPVSA-N 1 0 453.608 2.889 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)CC2)cc1 ZINC000040157216 569821421 /nfs/dbraw/zinc/82/14/21/569821421.db2.gz ADQQPPZEMGIERM-UHFFFAOYSA-N 1 0 493.674 2.560 50 0 JFAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)CC1 ZINC000040162224 569822974 /nfs/dbraw/zinc/82/29/74/569822974.db2.gz NFHZORRQWMIXOS-UHFFFAOYSA-N 1 0 456.490 2.531 50 0 JFAARO COc1ccc(-n2nnnc2SCC(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000103001203 569831472 /nfs/dbraw/zinc/83/14/72/569831472.db2.gz MFOMDGQAIVKJQL-PZJWPPBQSA-N 1 0 450.568 2.906 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000049604894 569849751 /nfs/dbraw/zinc/84/97/51/569849751.db2.gz DGKDQOQAAZSQNT-RQXXJAGISA-N 1 0 452.308 2.880 50 0 biogenic JFAARO COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000141589994 569867503 /nfs/dbraw/zinc/86/75/03/569867503.db2.gz OBRLDJUAOQINGH-TXEJJXNPSA-N 1 0 473.368 2.979 50 0 JFAARO COc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000245309419 570062991 /nfs/dbraw/zinc/06/29/91/570062991.db2.gz CRYMVZOZQSFNLZ-OSJYTEGDSA-N 1 0 482.334 2.889 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5cccc(CC)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248266202 570077265 /nfs/dbraw/zinc/07/72/65/570077265.db2.gz DWZCDFFQIFCPHF-ZAACQVCWSA-N 1 0 473.529 2.857 50 0 JFAARO COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1=O ZINC000252572227 570083453 /nfs/dbraw/zinc/08/34/53/570083453.db2.gz YZUWTDHXIVMNAW-ACRUOGEOSA-N 1 0 456.587 2.523 50 0 JFAARO COc1ccc([C@H]2[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397633 570096099 /nfs/dbraw/zinc/09/60/99/570096099.db2.gz BOIAYPLNLVSAMI-VGYLUTEMSA-N 1 0 459.587 2.613 50 0 biogenic JFAARO O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000253535683 570103548 /nfs/dbraw/zinc/10/35/48/570103548.db2.gz AZLAMAJGRJSGCD-OIBXWCBGSA-N 1 0 465.598 2.996 50 0 JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000263585181 570170934 /nfs/dbraw/zinc/17/09/34/570170934.db2.gz GAPGMZFVKJTQGF-JAXLGGSGSA-N 1 0 471.598 2.550 50 0 biogenic JFAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000299765487 570175223 /nfs/dbraw/zinc/17/52/23/570175223.db2.gz NQYKRHNOAUXZQH-XMMPIXPASA-N 1 0 450.583 2.862 50 0 JFAARO Cc1ccccc1[C@]1(CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC(=O)N(Cc2cccnc2)C1=O ZINC000299770482 570175622 /nfs/dbraw/zinc/17/56/22/570175622.db2.gz VYCQYFZWLNXPJS-KCWPFWIISA-N 1 0 462.594 2.776 50 0 JFAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1OC ZINC000001806009 194143952 /nfs/dbraw/zinc/14/39/52/194143952.db2.gz NYZPQOYZNIRKCK-MRXNPFEDSA-N 1 0 480.302 2.773 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002959063 194180855 /nfs/dbraw/zinc/18/08/55/194180855.db2.gz XVRPBLOIAFOCGA-YADHBBJMSA-N 1 0 484.647 2.761 50 0 JFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003235503 194247091 /nfs/dbraw/zinc/24/70/91/194247091.db2.gz XWCIQMFTPBSYFN-ADSWJOHSSA-N 1 0 481.618 2.864 50 0 JFAARO C[NH+](C)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009917295 195023171 /nfs/dbraw/zinc/02/31/71/195023171.db2.gz HGQSUYKRFCLYRW-UHFFFAOYSA-N 1 0 455.624 2.954 50 0 JFAARO O=C1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000009933855 195026034 /nfs/dbraw/zinc/02/60/34/195026034.db2.gz TVBZQSKQYNUXHR-LJQANCHMSA-N 1 0 465.934 2.554 50 0 JFAARO COc1ccccc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1nccn1C ZINC000012601948 195047037 /nfs/dbraw/zinc/04/70/37/195047037.db2.gz KGFPDJSMDKXGBU-JOCHJYFZSA-N 1 0 486.569 2.874 50 0 JFAARO CC1(C)CC(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000012660650 195080714 /nfs/dbraw/zinc/08/07/14/195080714.db2.gz SNIIPMGBOAMVCB-UHFFFAOYSA-N 1 0 493.670 2.762 50 0 JFAARO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766462 195113961 /nfs/dbraw/zinc/11/39/61/195113961.db2.gz XTNMAIILLVNNRE-FQEVSTJZSA-N 1 0 474.403 2.989 50 0 JFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000020611100 195184591 /nfs/dbraw/zinc/18/45/91/195184591.db2.gz AVFBUDDCGRBDQG-GSRZOBFVSA-N 1 0 453.926 2.925 50 0 biogenic JFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000020611098 195184730 /nfs/dbraw/zinc/18/47/30/195184730.db2.gz AVFBUDDCGRBDQG-YBJWPOLQSA-N 1 0 453.926 2.925 50 0 biogenic JFAARO Cc1ccccc1C[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000020985112 195260210 /nfs/dbraw/zinc/26/02/10/195260210.db2.gz QRVAQEGQSXCHRD-UHFFFAOYSA-N 1 0 458.609 2.997 50 0 JFAARO COc1ccccc1C[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000020985074 195260247 /nfs/dbraw/zinc/26/02/47/195260247.db2.gz AQSKMZBRACABSF-UHFFFAOYSA-N 1 0 474.608 2.698 50 0 JFAARO CC1CC[NH+](CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020995178 195263942 /nfs/dbraw/zinc/26/39/42/195263942.db2.gz NWJOXQXHZRRIQQ-QHCPKHFHSA-N 1 0 480.634 2.973 50 0 JFAARO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)cc1 ZINC000021534386 195310594 /nfs/dbraw/zinc/31/05/94/195310594.db2.gz IIVVCUIXMVQKTR-UHFFFAOYSA-N 1 0 466.003 2.752 50 0 JFAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc([C@@H](C)N4C(=O)c5ccccc5C4=O)nc3c12 ZINC000021801926 195323480 /nfs/dbraw/zinc/32/34/80/195323480.db2.gz ROGJOAKFKSADMN-GOSISDBHSA-N 1 0 487.564 2.775 50 0 JFAARO COc1ccc(-n2cnnc2SCC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000058378501 195379020 /nfs/dbraw/zinc/37/90/20/195379020.db2.gz KTDHPPNLSLROTQ-ROUUACIJSA-N 1 0 459.616 2.716 50 0 JFAARO C[C@@H](CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[NH+]1CCC(C)CC1 ZINC000058162438 195369501 /nfs/dbraw/zinc/36/95/01/195369501.db2.gz MXHXQANVSZAUNI-HNNXBMFYSA-N 1 0 453.513 2.596 50 0 JFAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]CCCN2CCOCC2)c1 ZINC000021554618 195314847 /nfs/dbraw/zinc/31/48/47/195314847.db2.gz YNBQLSGXLCZVTF-UHFFFAOYSA-N 1 0 495.045 2.806 50 0 JFAARO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000014995658 519393585 /nfs/dbraw/zinc/39/35/85/519393585.db2.gz FHCYEOJIXKUSCB-QHCPKHFHSA-N 1 0 478.597 2.620 50 0 JFAARO CC(C)CC[C@]1(C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000014889308 519695943 /nfs/dbraw/zinc/69/59/43/519695943.db2.gz WTBNTIKPCHTJLX-WXVAWEFUSA-N 1 0 482.625 2.884 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000033254655 519730064 /nfs/dbraw/zinc/73/00/64/519730064.db2.gz NSLJFPPPJTWOFP-IBGZPJMESA-N 1 0 478.659 2.674 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033254654 519730076 /nfs/dbraw/zinc/73/00/76/519730076.db2.gz NSLJFPPPJTWOFP-LJQANCHMSA-N 1 0 478.659 2.674 50 0 JFAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)CC1 ZINC000033263263 519856639 /nfs/dbraw/zinc/85/66/39/519856639.db2.gz YVLVGFRUIAAOGB-SFHVURJKSA-N 1 0 484.626 2.505 50 0 JFAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCN(c5ccccn5)CC4)c(C)c32)CC1 ZINC000033048388 519860555 /nfs/dbraw/zinc/86/05/55/519860555.db2.gz MXUFGLJAVAJOOD-UHFFFAOYSA-N 1 0 465.627 2.889 50 0 JFAARO CCCC(=O)OC[C@H](O)C[NH2+][C@@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160588 519881388 /nfs/dbraw/zinc/88/13/88/519881388.db2.gz WTEGMTYVVQGDLJ-DNVCBOLYSA-N 1 0 451.520 2.753 50 0 JFAARO CCCC(=O)OC[C@H](O)C[NH2+][C@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160596 519881450 /nfs/dbraw/zinc/88/14/50/519881450.db2.gz WTEGMTYVVQGDLJ-BEFAXECRSA-N 1 0 451.520 2.753 50 0 JFAARO CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)ccc21 ZINC000033262804 520138294 /nfs/dbraw/zinc/13/82/94/520138294.db2.gz ZVMFDJFTJUKNBR-LJQANCHMSA-N 1 0 490.674 2.794 50 0 JFAARO CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000033032990 520395405 /nfs/dbraw/zinc/39/54/05/520395405.db2.gz YLBNFMZWSNWKHZ-UHFFFAOYSA-N 1 0 460.600 2.778 50 0 JFAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263154 520616815 /nfs/dbraw/zinc/61/68/15/520616815.db2.gz MSTJRRLZIRCDDO-MRXNPFEDSA-N 1 0 490.605 2.630 50 0 JFAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(C)=O ZINC000036083236 520642224 /nfs/dbraw/zinc/64/22/24/520642224.db2.gz FIPNMMTZJBYVIT-UHFFFAOYSA-N 1 0 470.593 2.512 50 0 JFAARO CCOc1cc(C[N@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)ccc1OC ZINC000020451156 520701016 /nfs/dbraw/zinc/70/10/16/520701016.db2.gz OARSTXJIBRAKBV-UHFFFAOYSA-N 1 0 471.508 2.952 50 0 JFAARO CC1=C(C(=O)N2CCc3c(cc(-c4ccncc4)c(=O)n3CC[NH+]3CCCCC3)C2)OCCO1 ZINC000014532757 520794525 /nfs/dbraw/zinc/79/45/25/520794525.db2.gz JTWHCVVNEXLIGQ-UHFFFAOYSA-N 1 0 464.566 2.559 50 0 JFAARO CCOC(=O)N1CCC([NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3CCOC)CC1 ZINC000014742419 520922065 /nfs/dbraw/zinc/92/20/65/520922065.db2.gz CWTDUJCWMFYPOV-UHFFFAOYSA-N 1 0 486.613 2.595 50 0 JFAARO CCOC(=O)N1CCC([N@H+]2CC(=O)N(C(C)C)C[C@H](OCc3cc(OC)cc(OC)c3)C2)CC1 ZINC000014751045 520922189 /nfs/dbraw/zinc/92/21/89/520922189.db2.gz SUYSVGJIJWGJKD-HSZRJFAPSA-N 1 0 477.602 2.763 50 0 JFAARO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000045944637 521191619 /nfs/dbraw/zinc/19/16/19/521191619.db2.gz SVBKODMDKFDEHQ-HXUWFJFHSA-N 1 0 459.612 2.702 50 0 JFAARO CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NCC(C)C)c2)cc1 ZINC000033121225 521210692 /nfs/dbraw/zinc/21/06/92/521210692.db2.gz TUXDRFDTNHZBJU-UHFFFAOYSA-N 1 0 460.600 2.682 50 0 JFAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Br)c2)c1 ZINC000033032828 521332757 /nfs/dbraw/zinc/33/27/57/521332757.db2.gz RSTFMWOXVPSDGB-UHFFFAOYSA-N 1 0 460.372 2.922 50 0 JFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)c2nn(-c3ccc(Cl)cc3)c(-n3cccc3)c2c1=O ZINC000021647762 521655022 /nfs/dbraw/zinc/65/50/22/521655022.db2.gz QALKQNJTILQUNH-FQEVSTJZSA-N 1 0 493.999 2.935 50 0 JFAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014746141 521664318 /nfs/dbraw/zinc/66/43/18/521664318.db2.gz SXWKKAXKMQMXFL-RZUBCFFCSA-N 1 0 457.663 2.960 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cc2)CC1 ZINC000022799020 521698324 /nfs/dbraw/zinc/69/83/24/521698324.db2.gz BAUAEPOYPGXJJR-UHFFFAOYSA-N 1 0 492.668 2.640 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CNS(=O)(=O)/C=C/c3ccc(C)cc3)cc2C)CC1 ZINC000016299961 521698778 /nfs/dbraw/zinc/69/87/78/521698778.db2.gz NCIQTDDWKBLJFB-LFIBNONCSA-N 1 0 456.612 2.974 50 0 JFAARO CCN1C[C@@H](C[NH2+]C2CCN(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)CC1=O ZINC000012248048 521727580 /nfs/dbraw/zinc/72/75/80/521727580.db2.gz WDVZBJQJQCKDFI-HXUWFJFHSA-N 1 0 478.593 2.772 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C(=O)COc3ccccc3)CC2)C1=O ZINC000012245837 521757814 /nfs/dbraw/zinc/75/78/14/521757814.db2.gz GWKSBHXTDFVJFI-HHHXNRCGSA-N 1 0 496.583 2.538 50 0 JFAARO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](Cc1cccc3ccccc31)CC2 ZINC000014962203 521781340 /nfs/dbraw/zinc/78/13/40/521781340.db2.gz JRZNJJZBKZEJBI-IBGZPJMESA-N 1 0 489.572 2.704 50 0 JFAARO CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000014996685 521926649 /nfs/dbraw/zinc/92/66/49/521926649.db2.gz WJFJCRTZXBTUJJ-HSZRJFAPSA-N 1 0 472.589 2.845 50 0 JFAARO COc1cc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc2c1OCO2 ZINC000014732533 522370926 /nfs/dbraw/zinc/37/09/26/522370926.db2.gz ZYUDRBPGKXEXKH-UHFFFAOYSA-N 1 0 466.538 2.680 50 0 JFAARO COC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)CN2C(=O)c4ccccc4C2=O)CCO3)C1 ZINC000012213316 522456678 /nfs/dbraw/zinc/45/66/78/522456678.db2.gz JIISJKDBLKCIHZ-HXUWFJFHSA-N 1 0 477.561 2.562 50 0 JFAARO COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000044891583 522597586 /nfs/dbraw/zinc/59/75/86/522597586.db2.gz UTANCKVOACTUJJ-UHFFFAOYSA-N 1 0 450.514 2.839 50 0 JFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000035459654 523020946 /nfs/dbraw/zinc/02/09/46/523020946.db2.gz XPVTULHDTTYYEU-FQEVSTJZSA-N 1 0 454.637 2.853 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C3Cc4ccccc4C3)CC2)C1=O ZINC000014543117 523169492 /nfs/dbraw/zinc/16/94/92/523169492.db2.gz RQENHYVGZJFEID-UHFFFAOYSA-N 1 0 461.562 2.668 50 0 JFAARO CCn1c2ccccc2n(CC(=O)NCC[N@H+](CCc2ccccc2)Cc2ccco2)c(=O)c1=O ZINC000021649748 523280294 /nfs/dbraw/zinc/28/02/94/523280294.db2.gz FQVIMWBXOCVKPP-UHFFFAOYSA-N 1 0 474.561 2.637 50 0 JFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(COC)o1)CC2 ZINC000014733689 523290543 /nfs/dbraw/zinc/29/05/43/523290543.db2.gz UVGWFMXJSVTKHG-UHFFFAOYSA-N 1 0 456.543 2.657 50 0 JFAARO CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3CCOC)c(C)n1 ZINC000014748457 523370931 /nfs/dbraw/zinc/37/09/31/523370931.db2.gz MLHOSTBPEYXTKN-UHFFFAOYSA-N 1 0 469.586 2.665 50 0 JFAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 ZINC000014992232 523404618 /nfs/dbraw/zinc/40/46/18/523404618.db2.gz QAUOQYVKUMSGQD-NSCUHMNNSA-N 1 0 463.557 2.899 50 0 JFAARO CC[C@@]1(C2CC[NH+](Cc3cccc(OCCO)c3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000014884213 523735229 /nfs/dbraw/zinc/73/52/29/523735229.db2.gz VCOGEVWWFVRPHO-MHZLTWQESA-N 1 0 495.576 2.899 50 0 JFAARO CC[C@H](C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416840 523773809 /nfs/dbraw/zinc/77/38/09/523773809.db2.gz RRNJAIGJWCQQRX-OAQYLSRUSA-N 1 0 482.629 2.958 50 0 JFAARO COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)C1=O ZINC000014961271 523805879 /nfs/dbraw/zinc/80/58/79/523805879.db2.gz ROHJQYFKPCHGJF-HHHXNRCGSA-N 1 0 497.592 2.801 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)c3nnc(COc4ccccc4)s3)cc2)CC1 ZINC000033027987 523900257 /nfs/dbraw/zinc/90/02/57/523900257.db2.gz LGQGFOVSXAPLOF-UHFFFAOYSA-N 1 0 494.621 2.737 50 0 JFAARO C[NH+]1CCN(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021863347 523901625 /nfs/dbraw/zinc/90/16/25/523901625.db2.gz VSMWLQIHIHIPSU-AREMUKBSSA-N 1 0 467.614 2.659 50 0 JFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008662047 524110788 /nfs/dbraw/zinc/11/07/88/524110788.db2.gz CMDCPXDMRSPLNQ-GOSISDBHSA-N 1 0 474.627 2.697 50 0 JFAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)C[C@H](C)c1ccccc1 ZINC000045944616 524248348 /nfs/dbraw/zinc/24/83/48/524248348.db2.gz GJGUGLSUHXHPKN-SFHVURJKSA-N 1 0 480.030 2.965 50 0 JFAARO COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[NH+]1CCCC1 ZINC000022679542 524733823 /nfs/dbraw/zinc/73/38/23/524733823.db2.gz VSTZHCQYFLJGQQ-GHTZIAJQSA-N 1 0 465.550 2.773 50 0 JFAARO Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)nc3cccnc32)cc1 ZINC000033259162 524763877 /nfs/dbraw/zinc/76/38/77/524763877.db2.gz OQANDQWQBIJVDD-UHFFFAOYSA-N 1 0 488.636 2.967 50 0 JFAARO Cc1ccc(F)cc1C[NH2+]C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000014978603 524853769 /nfs/dbraw/zinc/85/37/69/524853769.db2.gz MCUVINATRNORCF-UHFFFAOYSA-N 1 0 454.590 2.955 50 0 JFAARO C[C@@H]1CN(C2CC[NH+]([C@@H]3CCc4c(c(C(=O)N5CCCCCC5)nn4C)C3)CC2)C[C@H](C)O1 ZINC000014733406 524923561 /nfs/dbraw/zinc/92/35/61/524923561.db2.gz RWXGLYVARADKGM-RZUBCFFCSA-N 1 0 457.663 2.867 50 0 JFAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000014992925 524940340 /nfs/dbraw/zinc/94/03/40/524940340.db2.gz MURHPCRLKJEZKO-FQEVSTJZSA-N 1 0 463.582 2.518 50 0 JFAARO C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3N3CC[NH+](C)CC3)ccc2N1C(=O)C1CC1 ZINC000020516870 524981969 /nfs/dbraw/zinc/98/19/69/524981969.db2.gz JHYDYXLKZGLTMC-KRWDZBQOSA-N 1 0 454.596 2.927 50 0 JFAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033032980 525078914 /nfs/dbraw/zinc/07/89/14/525078914.db2.gz WOMNGUIWOOIPIR-UHFFFAOYSA-N 1 0 472.611 2.922 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)C2)s1 ZINC000022694967 525531702 /nfs/dbraw/zinc/53/17/02/525531702.db2.gz YMZOADRFCWAEDE-GOSISDBHSA-N 1 0 462.641 2.848 50 0 JFAARO Cc1c(C(=O)N2CCC(C(=O)NCC[N@@H+](C)C3CCCCC3)CC2)sc2nc[nH]c(=O)c12 ZINC000033073520 525567854 /nfs/dbraw/zinc/56/78/54/525567854.db2.gz KYMQLOWCLCNNJJ-UHFFFAOYSA-N 1 0 459.616 2.526 50 0 JFAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCN1CC[NH+](C)CC1)C3=O ZINC000021856320 525644222 /nfs/dbraw/zinc/64/42/22/525644222.db2.gz JWESJNPGALXGSV-HHHXNRCGSA-N 1 0 481.641 2.561 50 0 JFAARO Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000021532844 525663635 /nfs/dbraw/zinc/66/36/35/525663635.db2.gz YEYSQFAVQUBRLY-UHFFFAOYSA-N 1 0 487.048 2.999 50 0 JFAARO Cc1cc2nc(C)c(=O)n(CC(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000033254824 525669849 /nfs/dbraw/zinc/66/98/49/525669849.db2.gz KGTRLNANULBFTQ-UHFFFAOYSA-N 1 0 461.610 2.646 50 0 JFAARO Cc1csc(-c2cc(S(=O)(=O)NCC[NH+]3CCC(C)CC3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307864 526299665 /nfs/dbraw/zinc/29/96/65/526299665.db2.gz IFCVFBJCFZGLRM-UHFFFAOYSA-N 1 0 493.699 2.943 50 0 JFAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033259265 526307082 /nfs/dbraw/zinc/30/70/82/526307082.db2.gz DPWHGCJZJKYARB-QFIPXVFZSA-N 1 0 474.609 2.658 50 0 JFAARO O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000064955515 526381455 /nfs/dbraw/zinc/38/14/55/526381455.db2.gz SZCFKRPBHCCCLA-UHFFFAOYSA-N 1 0 492.649 2.901 50 0 JFAARO O=C(NC[C@@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 ZINC000020485876 526493201 /nfs/dbraw/zinc/49/32/01/526493201.db2.gz HKHQZJNMOCYUSZ-DEOSSOPVSA-N 1 0 461.541 2.835 50 0 JFAARO O=C(NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccc(F)c1 ZINC000020485879 526581316 /nfs/dbraw/zinc/58/13/16/526581316.db2.gz MOQRPGJMIVYCSR-XMMPIXPASA-N 1 0 461.541 2.835 50 0 JFAARO O=C(NCc1cccc(F)c1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033034427 526719425 /nfs/dbraw/zinc/71/94/25/526719425.db2.gz VOEGNPKFJZIWDX-UHFFFAOYSA-N 1 0 468.554 2.966 50 0 JFAARO O=C(NCc1ccncc1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033847 526794922 /nfs/dbraw/zinc/79/49/22/526794922.db2.gz HBRPLGZHDQWHAE-UHFFFAOYSA-N 1 0 485.997 2.875 50 0 JFAARO O=C(c1ccco1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CC[NH+]3CCCC3)C2=O)CC1 ZINC000014963716 526825503 /nfs/dbraw/zinc/82/55/03/526825503.db2.gz BVUCRMLPQPUGIH-AREMUKBSSA-N 1 0 464.566 2.761 50 0 JFAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCc2ccccc2)c2ccccc21 ZINC000014749481 527197983 /nfs/dbraw/zinc/19/79/83/527197983.db2.gz WRKBPFPPLPERIO-UHFFFAOYSA-N 1 0 473.577 2.505 50 0 JFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000020366827 527271936 /nfs/dbraw/zinc/27/19/36/527271936.db2.gz AHIYJSFGIIWULY-UHFFFAOYSA-N 1 0 467.994 2.817 50 0 JFAARO O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000020489844 527351252 /nfs/dbraw/zinc/35/12/52/527351252.db2.gz QVKUEHATGAUIGT-UHFFFAOYSA-N 1 0 467.589 2.850 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000004111411 527531131 /nfs/dbraw/zinc/53/11/31/527531131.db2.gz NVUBZNQWAUYOEK-UHFFFAOYSA-N 1 0 499.662 2.873 50 0 JFAARO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000022464067 527658595 /nfs/dbraw/zinc/65/85/95/527658595.db2.gz PRMGJMRCMDRFSL-FQEVSTJZSA-N 1 0 465.583 2.508 50 0 JFAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999643 527661853 /nfs/dbraw/zinc/66/18/53/527661853.db2.gz ULZJPDVQTZYACP-UHFFFAOYSA-N 1 0 463.625 2.652 50 0 JFAARO Cc1nn(CC(=O)NCCC[NH+]2CCCC2)c(=O)c2c1nn(-c1ccc(Cl)cc1)c2-n1cccc1 ZINC000021647795 527702154 /nfs/dbraw/zinc/70/21/54/527702154.db2.gz SZFWKKBDTMOFPQ-UHFFFAOYSA-N 1 0 493.999 2.937 50 0 JFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000001088417 553905894 /nfs/dbraw/zinc/90/58/94/553905894.db2.gz NJOVNBSOIMLIGF-IEBWSBKVSA-N 1 0 464.551 2.626 50 0 JFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000002358934 554164845 /nfs/dbraw/zinc/16/48/45/554164845.db2.gz VJTIFSGFGLTUDR-UHFFFAOYSA-N 1 0 464.295 2.652 50 0 JFAARO CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1)C(=O)N[C@@H](C)c1ccccc1 ZINC000008918179 554814418 /nfs/dbraw/zinc/81/44/18/554814418.db2.gz ZCWMPSKEMYAQDR-OPXMRZJTSA-N 1 0 478.637 2.813 50 0 biogenic JFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000009130350 554929938 /nfs/dbraw/zinc/92/99/38/554929938.db2.gz IJCOBUVXPJVBMD-JXPLFARASA-N 1 0 471.941 2.970 50 0 JFAARO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009140470 554934818 /nfs/dbraw/zinc/93/48/18/554934818.db2.gz JFHPULWIBRZMQF-UHFFFAOYSA-N 1 0 465.959 2.972 50 0 JFAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009245071 555020672 /nfs/dbraw/zinc/02/06/72/555020672.db2.gz OREMRQHSHBLWII-UHFFFAOYSA-N 1 0 468.982 2.880 50 0 JFAARO CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000009317481 555092423 /nfs/dbraw/zinc/09/24/23/555092423.db2.gz KAHWJOOGRGHPND-MBSDFSHPSA-N 1 0 450.583 2.501 50 0 biogenic JFAARO C[NH+](C)CCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000009339684 555108140 /nfs/dbraw/zinc/10/81/40/555108140.db2.gz QYCABTTZIIPDKJ-UHFFFAOYSA-N 1 0 457.604 2.686 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009529921 555324490 /nfs/dbraw/zinc/32/44/90/555324490.db2.gz XVRPBLOIAFOCGA-FCHUYYIVSA-N 1 0 484.647 2.761 50 0 JFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000009677507 555401883 /nfs/dbraw/zinc/40/18/83/555401883.db2.gz APCBTBKCQGEIQB-CALCHBBNSA-N 1 0 479.672 2.576 50 0 JFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009608275 555435465 /nfs/dbraw/zinc/43/54/65/555435465.db2.gz DETKUMVRMCGKLY-WWDZGPRUSA-N 1 0 479.672 2.767 50 0 JFAARO CCCCCCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714084 555442310 /nfs/dbraw/zinc/44/23/10/555442310.db2.gz VYHKNOOWXNVEHC-UHFFFAOYSA-N 1 0 452.603 2.943 50 0 JFAARO Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3Cl)CC2)cc1 ZINC000009714363 555443171 /nfs/dbraw/zinc/44/31/71/555443171.db2.gz SXNCTDKTFUBUHW-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO Cc1cccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3Cl)CC2)c1 ZINC000009714362 555443191 /nfs/dbraw/zinc/44/31/91/555443191.db2.gz NNIJBRQBPQDGKV-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000009716980 555450629 /nfs/dbraw/zinc/45/06/29/555450629.db2.gz GYQGAGKDQAHAOT-UHFFFAOYSA-N 1 0 472.611 2.874 50 0 JFAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)nc(C)n3n2)cc1 ZINC000009727934 555462017 /nfs/dbraw/zinc/46/20/17/555462017.db2.gz LPOIMWRBQKEQFL-UHFFFAOYSA-N 1 0 486.576 2.656 50 0 JFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc1=O)CCC2 ZINC000009745465 555476767 /nfs/dbraw/zinc/47/67/67/555476767.db2.gz WCACHHLDSITATO-UHFFFAOYSA-N 1 0 460.600 2.822 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCC2)cc1 ZINC000009764916 555490457 /nfs/dbraw/zinc/49/04/57/555490457.db2.gz HTITUAWFEZBBDY-QHCPKHFHSA-N 1 0 487.622 2.591 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000019834519 555506406 /nfs/dbraw/zinc/50/64/06/555506406.db2.gz LLWDCRUEZQRGCT-UHFFFAOYSA-N 1 0 465.019 2.785 50 0 JFAARO COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000009793938 555512195 /nfs/dbraw/zinc/51/21/95/555512195.db2.gz WSFNIHKUYIKEHT-LJQANCHMSA-N 1 0 459.568 2.920 50 0 JFAARO Cc1cn2c(nc3c2c(=O)n(CCC[NH+]2CCCCCC2)c(=O)n3C)n1-c1ccc(F)cc1 ZINC000010108251 555618456 /nfs/dbraw/zinc/61/84/56/555618456.db2.gz LDJPWSTYQSYHRZ-UHFFFAOYSA-N 1 0 452.534 2.852 50 0 JFAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)C[C@H]2C)c1 ZINC000013809676 555624037 /nfs/dbraw/zinc/62/40/37/555624037.db2.gz BEJYQRDNFCNCNY-HXUWFJFHSA-N 1 0 472.593 2.903 50 0 JFAARO CCOc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000010271891 555665062 /nfs/dbraw/zinc/66/50/62/555665062.db2.gz SOQCBDSMXYOOHP-UHFFFAOYSA-N 1 0 464.570 2.640 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281775 555672536 /nfs/dbraw/zinc/67/25/36/555672536.db2.gz DFVYTHXAVAYTBW-UHFFFAOYSA-N 1 0 485.650 2.942 50 0 JFAARO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)c1 ZINC000014067941 555676821 /nfs/dbraw/zinc/67/68/21/555676821.db2.gz UUJRGPFICKFJPI-JOCHJYFZSA-N 1 0 473.595 2.836 50 0 JFAARO O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000020209350 555701929 /nfs/dbraw/zinc/70/19/29/555701929.db2.gz JNLZDGNPJSFCES-UHFFFAOYSA-N 1 0 496.677 2.862 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Cc1ccccc1 ZINC000014244079 555745522 /nfs/dbraw/zinc/74/55/22/555745522.db2.gz YFXZADRDCFRLHG-XMMPIXPASA-N 1 0 469.651 2.865 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530919 555798343 /nfs/dbraw/zinc/79/83/43/555798343.db2.gz UFXBUCZIKGTDKL-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000011690100 555799647 /nfs/dbraw/zinc/79/96/47/555799647.db2.gz XKIKNUAZLGGWRP-UHFFFAOYSA-N 1 0 454.556 2.892 50 0 JFAARO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020531876 555799687 /nfs/dbraw/zinc/79/96/87/555799687.db2.gz VBHMBJWUYQPTMG-UHFFFAOYSA-N 1 0 455.555 2.632 50 0 biogenic JFAARO O=C(COc1ccc(N2CC[NH+](C3CCCCC3)CC2)nn1)NC[C@@H]1OCCc2ccccc21 ZINC000011783781 555814845 /nfs/dbraw/zinc/81/48/45/555814845.db2.gz APJFUOPAZZECPK-QHCPKHFHSA-N 1 0 465.598 2.740 50 0 JFAARO Cc1csc([C@@H](C)N(C)C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(CC[NH+](C)C)C2=O)n1 ZINC000011784137 555815535 /nfs/dbraw/zinc/81/55/35/555815535.db2.gz CCFBCXWJIFWJAY-WAIKUNEKSA-N 1 0 460.575 2.759 50 0 JFAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000014531743 555819361 /nfs/dbraw/zinc/81/93/61/555819361.db2.gz ZSEBTDORDIHDAC-UHFFFAOYSA-N 1 0 452.555 2.578 50 0 JFAARO CCCc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(CC[NH+](C)C)C2=O)[nH]n1 ZINC000011786361 555819554 /nfs/dbraw/zinc/81/95/54/555819554.db2.gz JUDANWGZQHOTJI-DEOSSOPVSA-N 1 0 474.005 2.623 50 0 JFAARO COc1cc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)cc(OC)c1OC ZINC000014534594 555823291 /nfs/dbraw/zinc/82/32/91/555823291.db2.gz BBXUWZRKDOHUMP-QGZVFWFLSA-N 1 0 468.554 2.958 50 0 JFAARO COC(=O)c1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1 ZINC000014538055 555827619 /nfs/dbraw/zinc/82/76/19/555827619.db2.gz DGHSVAFCBAFDHL-UHFFFAOYSA-N 1 0 450.539 2.730 50 0 JFAARO CC[C@@H](C)C(=O)N1CCC([C@]2(Cc3ccccc3)NC(=O)N(CC[NH+]3CCCC3)C2=O)CC1 ZINC000011814908 555829937 /nfs/dbraw/zinc/82/99/37/555829937.db2.gz XNRUHCWDIVQPKV-IBVKSMDESA-N 1 0 454.615 2.900 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1=O ZINC000014541056 555831469 /nfs/dbraw/zinc/83/14/69/555831469.db2.gz HGAIPMPXHVEICX-UHFFFAOYSA-N 1 0 492.576 2.660 50 0 JFAARO O=c1ccc(-c2ccc(S(=O)(=O)N3CCC(C[N@@H+]4CCc5ccccc5C4)CC3)s2)n[nH]1 ZINC000020583728 555837432 /nfs/dbraw/zinc/83/74/32/555837432.db2.gz QICKBZABACLBLR-UHFFFAOYSA-N 1 0 470.620 2.957 50 0 JFAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000020600111 555841236 /nfs/dbraw/zinc/84/12/36/555841236.db2.gz YKYFKWFRDHCRPL-UFHPHHKVSA-N 1 0 492.620 2.736 50 0 JFAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H](c1ccncc1)N1CCOCC1 ZINC000015001760 555846864 /nfs/dbraw/zinc/84/68/64/555846864.db2.gz CLDAADIEVUILHZ-UPVQGACJSA-N 1 0 456.562 2.644 50 0 JFAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H](c1ccncc1)N1CCOCC1 ZINC000015001763 555846966 /nfs/dbraw/zinc/84/69/66/555846966.db2.gz CLDAADIEVUILHZ-VWNXMTODSA-N 1 0 456.562 2.644 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc2)CC1 ZINC000011951992 555869919 /nfs/dbraw/zinc/86/99/19/555869919.db2.gz DEHNVIIYRHLRBG-QFIPXVFZSA-N 1 0 472.611 2.538 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)cc2)CC1 ZINC000011948507 555870065 /nfs/dbraw/zinc/87/00/65/555870065.db2.gz MITSFEUWOVHVIV-SANMLTNESA-N 1 0 461.566 2.551 50 0 JFAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)c1 ZINC000011963399 555870374 /nfs/dbraw/zinc/87/03/74/555870374.db2.gz TWGULPVVRTVBIK-UHFFFAOYSA-N 1 0 463.582 2.943 50 0 JFAARO CC1(C(=O)N2CCC([C@]3(Cc4ccccc4)NC(=O)N(CC[NH+]4CCCC4)C3=O)CC2)CC1 ZINC000011971121 555873862 /nfs/dbraw/zinc/87/38/62/555873862.db2.gz UUZVNYMOKWGITO-SANMLTNESA-N 1 0 452.599 2.654 50 0 JFAARO COC(=O)c1c(OCCCc2cnn(C)c2)cc(=O)n2c1CC[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC000012036641 555889821 /nfs/dbraw/zinc/88/98/21/555889821.db2.gz AKIRNNHAVYFEMO-LJQANCHMSA-N 1 0 454.571 2.594 50 0 JFAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(OCCO)cc1)CC2 ZINC000012040062 555892881 /nfs/dbraw/zinc/89/28/81/555892881.db2.gz MPWPDOFTKAHTSE-HXUWFJFHSA-N 1 0 463.582 2.518 50 0 JFAARO COC(=O)C1CC[NH+]([C@@H]2CCCN(c3nc(C)c4ccc(S(C)(=O)=O)cc4n3)CC2)CC1 ZINC000012041398 555893995 /nfs/dbraw/zinc/89/39/95/555893995.db2.gz MBMYKAKMEHBYEL-GOSISDBHSA-N 1 0 460.600 2.586 50 0 JFAARO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012049519 555895693 /nfs/dbraw/zinc/89/56/93/555895693.db2.gz OWFNRWDINVZANO-IBGZPJMESA-N 1 0 460.629 2.706 50 0 JFAARO COCCCN1C(=O)C[C@](CC(=O)N(C)CC[C@@H](C)[NH+]2CCCC2)(c2ccccc2C)C1=O ZINC000012128153 555910614 /nfs/dbraw/zinc/91/06/14/555910614.db2.gz RSBDKHYYAGBRGC-QFQXNSOFSA-N 1 0 457.615 2.751 50 0 JFAARO COCCCN1C(=O)C[C@@](CC(=O)N(C)CC[C@H](C)[NH+]2CCCC2)(c2ccccc2C)C1=O ZINC000012128160 555910625 /nfs/dbraw/zinc/91/06/25/555910625.db2.gz RSBDKHYYAGBRGC-LVXARBLLSA-N 1 0 457.615 2.751 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000022284911 555917661 /nfs/dbraw/zinc/91/76/61/555917661.db2.gz HSONEKMGGHHQLY-BXKMTCNYSA-N 1 0 454.575 2.817 50 0 JFAARO COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000015671292 555928253 /nfs/dbraw/zinc/92/82/53/555928253.db2.gz CIXNNWQETLJNHS-UHFFFAOYSA-N 1 0 459.616 2.912 50 0 JFAARO Cc1nn(C)c(C)c1CN(C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O)C(C)C ZINC000012192078 555939073 /nfs/dbraw/zinc/93/90/73/555939073.db2.gz FRBKCHSVDVACNG-AREMUKBSSA-N 1 0 485.604 2.562 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726203 555963862 /nfs/dbraw/zinc/96/38/62/555963862.db2.gz YVPLBBZMVKEZGX-ICSRJNTNSA-N 1 0 471.602 2.956 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCC[NH+]4CCC(C)CC4)C3)n2)cc1OC ZINC000015726270 555963893 /nfs/dbraw/zinc/96/38/93/555963893.db2.gz YOWROZXPISUMGH-FQEVSTJZSA-N 1 0 471.602 2.814 50 0 JFAARO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2S1 ZINC000022937284 555990154 /nfs/dbraw/zinc/99/01/54/555990154.db2.gz WCALQVDGJUZYHF-IBGZPJMESA-N 1 0 488.679 2.996 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)CC1 ZINC000022938557 555991803 /nfs/dbraw/zinc/99/18/03/555991803.db2.gz OMUQCPUYSKVJSU-UHFFFAOYSA-N 1 0 493.583 2.708 50 0 JFAARO CCC[NH+](CCC)CCCNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777494 555997095 /nfs/dbraw/zinc/99/70/95/555997095.db2.gz INVAVYGFKOPLHJ-UHFFFAOYSA-N 1 0 450.653 2.900 50 0 JFAARO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](CCO)CC2)cc1 ZINC000023086389 556007388 /nfs/dbraw/zinc/00/73/88/556007388.db2.gz MQPBVTOCMHUFIE-SANMLTNESA-N 1 0 463.578 2.619 50 0 JFAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000015864312 556039403 /nfs/dbraw/zinc/03/94/03/556039403.db2.gz OSIBIHBLAYOIIV-UHFFFAOYSA-N 1 0 459.612 2.831 50 0 JFAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]CC1(N3CCOCC3)CCCC1)C2 ZINC000023340032 556047639 /nfs/dbraw/zinc/04/76/39/556047639.db2.gz YYSLVBBKCDBLPX-HSZRJFAPSA-N 1 0 477.653 2.711 50 0 JFAARO O=c1ccc(-c2ccc(S(=O)(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)s2)n[nH]1 ZINC000015942655 556077617 /nfs/dbraw/zinc/07/76/17/556077617.db2.gz AJLGVJUJKAPRJF-UHFFFAOYSA-N 1 0 462.572 2.828 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012585964 556083417 /nfs/dbraw/zinc/08/34/17/556083417.db2.gz REJYTEOEEZEJMX-QHCPKHFHSA-N 1 0 457.596 2.583 50 0 JFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015957099 556089071 /nfs/dbraw/zinc/08/90/71/556089071.db2.gz PWTFGVIMUBDNDD-GIRPNKPCSA-N 1 0 469.497 2.569 50 0 biogenic JFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015958195 556089875 /nfs/dbraw/zinc/08/98/75/556089875.db2.gz KFBIRVXIQRCULY-VPNXBQJBSA-N 1 0 483.524 2.564 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959383 556091460 /nfs/dbraw/zinc/09/14/60/556091460.db2.gz WIQJMTBNUZQGRM-QUIZSENMSA-N 1 0 467.525 2.598 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000016011536 556110645 /nfs/dbraw/zinc/11/06/45/556110645.db2.gz JXNIYCDCPMVART-BOCITWAFSA-N 1 0 457.461 2.699 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016024772 556115306 /nfs/dbraw/zinc/11/53/06/556115306.db2.gz CKRIEFAYLRVQTK-YDLHNXBPSA-N 1 0 453.926 2.809 50 0 JFAARO C[C@@]1(CSc2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)NC(=O)NC1=O ZINC000012914354 556133307 /nfs/dbraw/zinc/13/33/07/556133307.db2.gz DQPJHYUDASJVIH-DEOSSOPVSA-N 1 0 452.580 2.903 50 0 JFAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000012936315 556151171 /nfs/dbraw/zinc/15/11/71/556151171.db2.gz FWNUAGOHOSLYFS-LJQANCHMSA-N 1 0 472.636 2.862 50 0 JFAARO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c2cccs2)CC1 ZINC000012936653 556151505 /nfs/dbraw/zinc/15/15/05/556151505.db2.gz OWEXSRDOGVKXAV-QFIPXVFZSA-N 1 0 490.695 2.887 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1cccs1 ZINC000012944413 556156757 /nfs/dbraw/zinc/15/67/57/556156757.db2.gz LNRJWVQTCMLDRA-FQEVSTJZSA-N 1 0 457.568 2.846 50 0 JFAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)[nH+]1 ZINC000017012816 556202816 /nfs/dbraw/zinc/20/28/16/556202816.db2.gz XSFZXQRHZXQFJK-UHFFFAOYSA-N 1 0 491.617 2.704 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1cccc(F)c1 ZINC000013020399 556211422 /nfs/dbraw/zinc/21/14/22/556211422.db2.gz BXGQFGDEBCLHSQ-HXUWFJFHSA-N 1 0 469.529 2.924 50 0 JFAARO CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000013042135 556248662 /nfs/dbraw/zinc/24/86/62/556248662.db2.gz RLZLLOAEHNLGIZ-SFHVURJKSA-N 1 0 492.617 2.982 50 0 JFAARO CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000013042136 556248669 /nfs/dbraw/zinc/24/86/69/556248669.db2.gz RLZLLOAEHNLGIZ-GOSISDBHSA-N 1 0 492.617 2.982 50 0 JFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000017911332 556270969 /nfs/dbraw/zinc/27/09/69/556270969.db2.gz WRILWZNSNIWCPH-HSZRJFAPSA-N 1 0 475.611 2.716 50 0 JFAARO O=C1c2ccccc2C(=O)N1CCCCN1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000019314410 556340154 /nfs/dbraw/zinc/34/01/54/556340154.db2.gz XTGNFFBHKJNVBJ-UHFFFAOYSA-N 1 0 488.588 2.757 50 0 JFAARO O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000019732679 556363162 /nfs/dbraw/zinc/36/31/62/556363162.db2.gz ANVTWMNQVKPPFW-MHZLTWQESA-N 1 0 478.568 2.895 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000019741963 556364676 /nfs/dbraw/zinc/36/46/76/556364676.db2.gz QILCIAGMJZFFIU-SFHVURJKSA-N 1 0 460.550 2.716 50 0 JFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032759418 556487619 /nfs/dbraw/zinc/48/76/19/556487619.db2.gz CEIKSRLUCJGEGG-QHCPKHFHSA-N 1 0 452.574 2.612 50 0 JFAARO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1C2CC3CC(C2)CC1C3 ZINC000032810004 556500081 /nfs/dbraw/zinc/50/00/81/556500081.db2.gz CQXWLKFKGXBOTE-UHFFFAOYSA-N 1 0 466.047 2.929 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)CC1 ZINC000032945096 556559717 /nfs/dbraw/zinc/55/97/17/556559717.db2.gz BEKKCAAUEDBCJD-KRWDZBQOSA-N 1 0 467.536 2.737 50 0 JFAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nc(N)cc(N)[nH+]1)CC2 ZINC000032956343 556569823 /nfs/dbraw/zinc/56/98/23/556569823.db2.gz SVUSHZFVBNCSGB-JOCHJYFZSA-N 1 0 451.552 2.925 50 0 JFAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000056952829 569593653 /nfs/dbraw/zinc/59/36/53/569593653.db2.gz RNCOYQZZJFXBFF-UHFFFAOYSA-N 1 0 472.593 2.687 50 0 JFAARO CCc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1 ZINC000008706314 569594336 /nfs/dbraw/zinc/59/43/36/569594336.db2.gz VNXWPJHKJDGFKN-GOSISDBHSA-N 1 0 450.587 2.733 50 0 JFAARO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000062580167 569611762 /nfs/dbraw/zinc/61/17/62/569611762.db2.gz IMDVKQBPKYJABY-OAQYLSRUSA-N 1 0 466.504 2.812 50 0 JFAARO Cc1nc2ccccc2n(CCC(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000033005271 569614508 /nfs/dbraw/zinc/61/45/08/569614508.db2.gz QJENSXQYJNMBEY-UHFFFAOYSA-N 1 0 451.546 2.563 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CSc3nc4ccccc4n(C)c3=O)CC2)c1 ZINC000033006678 569614898 /nfs/dbraw/zinc/61/48/98/569614898.db2.gz SRJDRJLJGNJAGI-UHFFFAOYSA-N 1 0 479.650 2.971 50 0 JFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064565640 569619241 /nfs/dbraw/zinc/61/92/41/569619241.db2.gz CVRVCIRSQRXINW-FQEVSTJZSA-N 1 0 494.640 2.718 50 0 JFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033276805 569622191 /nfs/dbraw/zinc/62/21/91/569622191.db2.gz ITDQBHPHQBHGMI-HXUWFJFHSA-N 1 0 487.626 2.615 50 0 JFAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCCN2CC[NH+](C)CC2)C3=O)o1 ZINC000033331894 569624562 /nfs/dbraw/zinc/62/45/62/569624562.db2.gz DMYGXKKYVJOTMS-AREMUKBSSA-N 1 0 469.630 2.844 50 0 JFAARO CCn1c2c(C(=O)NCCCOC(C)C)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835875 569636567 /nfs/dbraw/zinc/63/65/67/569636567.db2.gz PJNOBLRLRYSSLK-UHFFFAOYSA-N 1 0 451.571 2.619 50 0 JFAARO COc1cc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)cc(OC)c1 ZINC000064836080 569636710 /nfs/dbraw/zinc/63/67/10/569636710.db2.gz XQBYFFFGVIVZIA-UHFFFAOYSA-N 1 0 473.533 2.861 50 0 JFAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4c(C)cccc4C)CC3)co2)CC1 ZINC000034677782 569642188 /nfs/dbraw/zinc/64/21/88/569642188.db2.gz BEVIHYQQCHDIID-QHCPKHFHSA-N 1 0 483.657 2.923 50 0 JFAARO CC(=O)N1CCN(C(=O)c2coc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)CC1 ZINC000034684555 569644944 /nfs/dbraw/zinc/64/49/44/569644944.db2.gz QXEQPPVHYWVJPA-UHFFFAOYSA-N 1 0 487.604 2.886 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)cc1C ZINC000065025231 569650501 /nfs/dbraw/zinc/65/05/01/569650501.db2.gz ISAUBHCJRQGADN-UHFFFAOYSA-N 1 0 471.627 2.781 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@H]3C)c2)cc1C ZINC000065025243 569650540 /nfs/dbraw/zinc/65/05/40/569650540.db2.gz WKJDMLZVKMSJNE-LJQANCHMSA-N 1 0 471.627 2.923 50 0 JFAARO CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025259 569650573 /nfs/dbraw/zinc/65/05/73/569650573.db2.gz DXBLZKKJOYMZQZ-UHFFFAOYSA-N 1 0 459.616 2.897 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)c(C)c1 ZINC000065025216 569650619 /nfs/dbraw/zinc/65/06/19/569650619.db2.gz HNSCQJDDRRQDCB-UHFFFAOYSA-N 1 0 479.606 2.839 50 0 JFAARO COc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)c1 ZINC000065074661 569657277 /nfs/dbraw/zinc/65/72/77/569657277.db2.gz HGNWVJVYPUNYLS-UHFFFAOYSA-N 1 0 470.639 2.935 50 0 biogenic JFAARO O=S(=O)(c1cccs1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc(F)c(Cl)c1 ZINC000065074764 569657437 /nfs/dbraw/zinc/65/74/37/569657437.db2.gz NDSHJJLFEIGASQ-UHFFFAOYSA-N 1 0 456.996 2.855 50 0 biogenic JFAARO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)CC1 ZINC000065081386 569660042 /nfs/dbraw/zinc/66/00/42/569660042.db2.gz GISXKEOZWDBTQG-FQEVSTJZSA-N 1 0 481.670 2.761 50 0 JFAARO CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)NCC[NH+]4CCCCCC4)o3)cc2)CC1 ZINC000065113894 569665244 /nfs/dbraw/zinc/66/52/44/569665244.db2.gz WKEDANDUHGXAPI-UHFFFAOYSA-N 1 0 475.615 2.763 50 0 JFAARO Cc1nn(Cc2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000065138475 569669012 /nfs/dbraw/zinc/66/90/12/569669012.db2.gz IMBXZFQEBVYMEK-UHFFFAOYSA-N 1 0 487.670 2.889 50 0 JFAARO O=C(NCC[NH+]1CCCCCC1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319170 569673881 /nfs/dbraw/zinc/67/38/81/569673881.db2.gz SKLSIEFPEFWFJU-UHFFFAOYSA-N 1 0 461.588 2.517 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000065362662 569675249 /nfs/dbraw/zinc/67/52/49/569675249.db2.gz WLKXSWJHTNJMMH-OAQYLSRUSA-N 1 0 463.003 2.884 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1)c1cccc(OC)c1 ZINC000065622589 569676457 /nfs/dbraw/zinc/67/64/57/569676457.db2.gz AIDVFTQHZCKTRP-AWEZNQCLSA-N 1 0 490.445 2.980 50 0 JFAARO CCOc1cc([C@H]2NC(=O)NC(CN3CC[NH+](C4CCCCC4)CC3)=C2C(=O)OC)ccc1O ZINC000067285687 569683477 /nfs/dbraw/zinc/68/34/77/569683477.db2.gz UANXJUHMWZBXGD-HSZRJFAPSA-N 1 0 472.586 2.522 50 0 JFAARO CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CC[NH+](C3CCCCC3)CC2)=C1C(=O)OC ZINC000067287904 569684693 /nfs/dbraw/zinc/68/46/93/569684693.db2.gz UIBHLKNWDJBJMQ-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CC[NH+](Cc3ccccc3)CC1)C(=O)CO2 ZINC000035377094 569685149 /nfs/dbraw/zinc/68/51/49/569685149.db2.gz FKCSPYYQRUNPOG-UHFFFAOYSA-N 1 0 478.593 2.675 50 0 JFAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)c1 ZINC000068821362 569692305 /nfs/dbraw/zinc/69/23/05/569692305.db2.gz JMKLGMXMYXMIFA-JOCHJYFZSA-N 1 0 490.695 2.928 50 0 JFAARO C[C@@H](CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)[NH+]1CCCC1 ZINC000035445923 569695739 /nfs/dbraw/zinc/69/57/39/569695739.db2.gz QWQJPIHZLNNRIS-NZQKXSOJSA-N 1 0 481.641 2.619 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCC[NH+]3CCCCC3)CC2)c1C ZINC000035447484 569696130 /nfs/dbraw/zinc/69/61/30/569696130.db2.gz MJYYCXBSYGSFQE-UHFFFAOYSA-N 1 0 460.619 2.582 50 0 JFAARO O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035537142 569702200 /nfs/dbraw/zinc/70/22/00/569702200.db2.gz KQZXNHAWDPSYRS-UHFFFAOYSA-N 1 0 484.000 2.797 50 0 JFAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000072441897 569704142 /nfs/dbraw/zinc/70/41/42/569704142.db2.gz HMQQEFGHZPPYBA-UHFFFAOYSA-N 1 0 455.506 2.915 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC000035562027 569704605 /nfs/dbraw/zinc/70/46/05/569704605.db2.gz CTODQNLBMNJGJM-UHFFFAOYSA-N 1 0 460.022 2.817 50 0 JFAARO Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000085620507 569711237 /nfs/dbraw/zinc/71/12/37/569711237.db2.gz BLVDBUYIZXUDDM-JOCHJYFZSA-N 1 0 451.615 2.812 50 0 JFAARO O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894134 569722786 /nfs/dbraw/zinc/72/27/86/569722786.db2.gz RMXIJQFKDLQBCY-AHWVRZQESA-N 1 0 466.601 2.527 50 0 JFAARO COc1cc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)ccc1OCC(=O)N1CCCC1 ZINC000095373585 569722944 /nfs/dbraw/zinc/72/29/44/569722944.db2.gz GGQAKZUMIASPQC-KRWDZBQOSA-N 1 0 461.584 2.919 50 0 JFAARO CC(C)(C)OC(=O)CCCCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1 ZINC000096564419 569741342 /nfs/dbraw/zinc/74/13/42/569741342.db2.gz HROLDRCDVDWDPH-IBGZPJMESA-N 1 0 477.606 2.563 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991486 569744504 /nfs/dbraw/zinc/74/45/04/569744504.db2.gz HYHHSDAHCSNJJB-IBGZPJMESA-N 1 0 454.493 2.856 50 0 JFAARO C[NH+](C)CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccc(F)c(Cl)c3)cc21 ZINC000037275348 569782104 /nfs/dbraw/zinc/78/21/04/569782104.db2.gz JWNPPGNXQQKCRX-UHFFFAOYSA-N 1 0 491.947 2.924 50 0 JFAARO COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCC[NH+](C)C)o2)c1 ZINC000037428431 569789920 /nfs/dbraw/zinc/78/99/20/569789920.db2.gz FSRMXAJDLDUGFF-BZZOAKBMSA-N 1 0 456.568 2.849 50 0 JFAARO Cc1cc(F)ccc1OCC(=O)c1ccc2c(c1)N([C@@H](C)C(=O)NCC[NH+]1CCCC1)C(=O)CO2 ZINC000037511796 569791792 /nfs/dbraw/zinc/79/17/92/569791792.db2.gz YFGCNYUCKJBCRV-SFHVURJKSA-N 1 0 483.540 2.722 50 0 JFAARO C[C@H](C(=O)NCC[NH+]1CCCCC1)N1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21 ZINC000037512286 569792005 /nfs/dbraw/zinc/79/20/05/569792005.db2.gz AOGFRAWUTHBQLS-LJQANCHMSA-N 1 0 465.550 2.664 50 0 JFAARO CC[NH+](CC)CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21 ZINC000037519763 569792718 /nfs/dbraw/zinc/79/27/18/569792718.db2.gz YVEPHISFPVGPMZ-UHFFFAOYSA-N 1 0 473.957 2.785 50 0 JFAARO O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000101373695 569795122 /nfs/dbraw/zinc/79/51/22/569795122.db2.gz NLXWMRFZXQMVRO-UHFFFAOYSA-N 1 0 460.578 2.990 50 0 JFAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000040115701 569816258 /nfs/dbraw/zinc/81/62/58/569816258.db2.gz OPHPPIOVJNAZFM-QHCPKHFHSA-N 1 0 486.638 2.787 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 ZINC000049581211 569849081 /nfs/dbraw/zinc/84/90/81/569849081.db2.gz FROSIILCFGPCOT-CYFREDJKSA-N 1 0 476.595 2.944 50 0 JFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCCN1CCOCC1)C2 ZINC000169678673 569869174 /nfs/dbraw/zinc/86/91/74/569869174.db2.gz ZSHBRYUNOYOXHG-AHKZPQOWSA-N 1 0 496.627 2.536 50 0 JFAARO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000226877595 570039150 /nfs/dbraw/zinc/03/91/50/570039150.db2.gz QQGOJYFENLCKKY-SUWCGCSTSA-N 1 0 452.308 2.880 50 0 JFAARO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000227051699 570039727 /nfs/dbraw/zinc/03/97/27/570039727.db2.gz YTUIYBXIVNHRGJ-VKDGWMQASA-N 1 0 480.362 2.918 50 0 JFAARO COc1cc2nc(CSCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]c(=O)c2cc1OC ZINC000229702326 570040945 /nfs/dbraw/zinc/04/09/45/570040945.db2.gz LCVVTZARYONMQS-QAPCUYQASA-N 1 0 460.600 2.967 50 0 JFAARO COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@H]1[C@@H](C(=O)NCC[NH+]1CCCC1)C2 ZINC000230129388 570045388 /nfs/dbraw/zinc/04/53/88/570045388.db2.gz KZGYIHURAUVCSF-DHLKQENFSA-N 1 0 464.610 2.783 50 0 JFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCCCN1CCOCC1)C2 ZINC000230138108 570045794 /nfs/dbraw/zinc/04/57/94/570045794.db2.gz ZSHBRYUNOYOXHG-BDYUSTAISA-N 1 0 496.627 2.536 50 0 JFAARO CO[C@H](COC(C)(C)C)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000244933246 570054412 /nfs/dbraw/zinc/05/44/12/570054412.db2.gz CITGAUYXNJMNPJ-FQEVSTJZSA-N 1 0 453.583 2.884 50 0 JFAARO O=C(c1cc2n(n1)CCCO2)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000245108455 570054513 /nfs/dbraw/zinc/05/45/13/570054513.db2.gz SXWYVNIMSGNLNY-UHFFFAOYSA-N 1 0 464.492 2.506 50 0 JFAARO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C1CC1 ZINC000245280768 570061809 /nfs/dbraw/zinc/06/18/09/570061809.db2.gz SMIIAZWUBZOTRY-UYAOXDASSA-N 1 0 460.596 2.733 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)COC ZINC000245329257 570066079 /nfs/dbraw/zinc/06/60/79/570066079.db2.gz RZKWYGFRZZVHSZ-PGRDOPGGSA-N 1 0 462.612 2.981 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248214752 570076328 /nfs/dbraw/zinc/07/63/28/570076328.db2.gz FUUWESJRHWQYMX-SMOZNVCYSA-N 1 0 453.926 2.809 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5cccc(CC)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248266199 570077278 /nfs/dbraw/zinc/07/72/78/570077278.db2.gz DWZCDFFQIFCPHF-XTYKIWRDSA-N 1 0 473.529 2.857 50 0 JFAARO O=C(c1cc2n(n1)CCCO2)N1CCC([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC000252489865 570081819 /nfs/dbraw/zinc/08/18/19/570081819.db2.gz KDBAEUXPRHAXNN-UHFFFAOYSA-N 1 0 464.492 2.506 50 0 JFAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000252497987 570082122 /nfs/dbraw/zinc/08/21/22/570082122.db2.gz QTEDHRBAFBDKOD-FQEVSTJZSA-N 1 0 467.610 2.834 50 0 JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2OC)C1 ZINC000263585742 570171320 /nfs/dbraw/zinc/17/13/20/570171320.db2.gz LYPXMBUEQOSGCI-RBZQAINGSA-N 1 0 471.642 2.826 50 0 biogenic JFAARO COc1cc2ncn(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c(=O)c2cc1OC ZINC000263585896 570171509 /nfs/dbraw/zinc/17/15/09/570171509.db2.gz NQRDGLVQFVPWOD-KOZCABKTSA-N 1 0 478.593 2.835 50 0 biogenic JFAARO COc1cccc([C@]2(CC(=O)N(C)Cc3cccc4ncccc34)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000299763389 570174858 /nfs/dbraw/zinc/17/48/58/570174858.db2.gz VFQZIHNTEXNABN-NDEPHWFRSA-N 1 0 488.588 2.850 50 0 JFAARO O=C(C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000299765516 570175140 /nfs/dbraw/zinc/17/51/40/570175140.db2.gz NTWFIOBNXQYVQL-XMMPIXPASA-N 1 0 493.526 2.578 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@@H+](CCc1ccccc1)CC2 ZINC000299768879 570175503 /nfs/dbraw/zinc/17/55/03/570175503.db2.gz KYBYHYWDKXENCE-UHFFFAOYSA-N 1 0 452.580 2.686 50 0 JFAARO COc1ccc([C@]2(CC(=O)N(C)C[C@@H]3CC[N@H+](CC(C)C)C3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000299771567 570175770 /nfs/dbraw/zinc/17/57/70/570175770.db2.gz QYUPJIHYOKRQEZ-SIBVEZHUSA-N 1 0 455.599 2.681 50 0 JFAARO COc1cc(O)c(C(=O)Nc2nc(C(=O)NCC[NH+](C(C)C)C(C)C)cs2)cc1OC ZINC000002002237 194156198 /nfs/dbraw/zinc/15/61/98/194156198.db2.gz TWHZNAUBXFZMCA-UHFFFAOYSA-N 1 0 450.561 2.967 50 0 investigational JFAARO COc1ccc(-c2c(C)oc3cc(OC[C@@H](O)C[NH+]4CCC(C(N)=O)CC4)ccc3c2=O)cc1 ZINC000003227707 194244688 /nfs/dbraw/zinc/24/46/88/194244688.db2.gz CIMDANJNUATIGK-IBGZPJMESA-N 1 0 466.534 2.714 50 0 JFAARO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000003310142 194276479 /nfs/dbraw/zinc/27/64/79/194276479.db2.gz LSIFWLQOCMRFKP-UHFFFAOYSA-N 1 0 475.611 2.842 50 0 JFAARO Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1C ZINC000009156908 194573800 /nfs/dbraw/zinc/57/38/00/194573800.db2.gz QLSPQHPKKNAUIQ-KRWDZBQOSA-N 1 0 450.587 2.787 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)cc2)CC1 ZINC000009221387 194606653 /nfs/dbraw/zinc/60/66/53/194606653.db2.gz PGRXDCAHBUDVDF-NRFANRHFSA-N 1 0 480.609 2.875 50 0 JFAARO O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009860818 195001445 /nfs/dbraw/zinc/00/14/45/195001445.db2.gz HBMXJLNPAILVAE-UHFFFAOYSA-N 1 0 467.573 2.947 50 0 JFAARO COc1cccc(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)c1OC ZINC000009882393 195010446 /nfs/dbraw/zinc/01/04/46/195010446.db2.gz DHZQIEUAPPJXGJ-UHFFFAOYSA-N 1 0 475.611 2.990 50 0 JFAARO CCCCn1c(N)c(N(C(=O)C[N@H+](C)Cc2ccc(C)cc2C)C2CCCC2)c(=O)[nH]c1=O ZINC000012777141 195121680 /nfs/dbraw/zinc/12/16/80/195121680.db2.gz NLFCIYXMTROXPZ-UHFFFAOYSA-N 1 0 455.603 2.943 50 0 JFAARO CC(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1 ZINC000012884678 195169908 /nfs/dbraw/zinc/16/99/08/195169908.db2.gz YEFLMEVHJRVSBK-GOTSBHOMSA-N 1 0 468.573 2.714 50 0 biogenic JFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000012890153 195172224 /nfs/dbraw/zinc/17/22/24/195172224.db2.gz VLLZQAAEDQPPCC-QYNSMDLWSA-N 1 0 451.523 2.625 50 0 biogenic JFAARO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000020604638 195180608 /nfs/dbraw/zinc/18/06/08/195180608.db2.gz BWSGNBLGKQUDLR-QHCPKHFHSA-N 1 0 458.555 2.882 50 0 JFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020611333 195185153 /nfs/dbraw/zinc/18/51/53/195185153.db2.gz KFBIRVXIQRCULY-FFMLRLECSA-N 1 0 483.524 2.564 50 0 biogenic JFAARO CCCC[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21 ZINC000020683449 195204473 /nfs/dbraw/zinc/20/44/73/195204473.db2.gz ADDDYWRFGJDQRC-GOSISDBHSA-N 1 0 476.643 2.801 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@@H+](Cc1ccc(C)c(C)c1)CC2 ZINC000020781153 195224560 /nfs/dbraw/zinc/22/45/60/195224560.db2.gz LKQNEIMPHSIINY-UHFFFAOYSA-N 1 0 463.582 2.549 50 0 JFAARO Cc1nn(CCCC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000020866568 195234522 /nfs/dbraw/zinc/23/45/22/195234522.db2.gz GHRXGIJCVQRDNZ-UHFFFAOYSA-N 1 0 482.629 2.787 50 0 JFAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3n2C)CC1 ZINC000020893086 195237872 /nfs/dbraw/zinc/23/78/72/195237872.db2.gz BQWSJNDBWQPQMH-UHFFFAOYSA-N 1 0 467.570 2.989 50 0 JFAARO CC[C@@H](C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943759 195256338 /nfs/dbraw/zinc/25/63/38/195256338.db2.gz CLPBKMVIWAGBFX-QFIPXVFZSA-N 1 0 466.630 2.652 50 0 JFAARO Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)C3)c12 ZINC000020945139 195256709 /nfs/dbraw/zinc/25/67/09/195256709.db2.gz JDHIIVQXWOMPEL-HXUWFJFHSA-N 1 0 469.634 2.599 50 0 JFAARO COc1ccc(CC[NH+]2CCC(CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)cc1 ZINC000020985072 195260458 /nfs/dbraw/zinc/26/04/58/195260458.db2.gz RSQWZVICGNKDNC-UHFFFAOYSA-N 1 0 488.635 2.740 50 0 JFAARO Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1C ZINC000020989801 195261844 /nfs/dbraw/zinc/26/18/44/195261844.db2.gz HZRUIYAYDJDWEZ-UHFFFAOYSA-N 1 0 458.628 2.821 50 0 JFAARO O=C(c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1)N1CCN(c2ncccn2)CC1 ZINC000021018154 195267165 /nfs/dbraw/zinc/26/71/65/195267165.db2.gz GUAHECAHGHVUIS-UHFFFAOYSA-N 1 0 451.962 2.745 50 0 JFAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(C)cc2)cc1Cl ZINC000021534212 195310550 /nfs/dbraw/zinc/31/05/50/195310550.db2.gz RMZXBIIORRHFJF-UHFFFAOYSA-N 1 0 466.003 2.670 50 0 JFAARO COc1ccccc1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000021534184 195310606 /nfs/dbraw/zinc/31/06/06/195310606.db2.gz JXEQKASZCMUBHT-UHFFFAOYSA-N 1 0 473.639 2.907 50 0 JFAARO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c1 ZINC000021534364 195310621 /nfs/dbraw/zinc/31/06/21/195310621.db2.gz JBOSSTXXMQKYSP-UHFFFAOYSA-N 1 0 450.004 2.970 50 0 JFAARO CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NCCN2CC[NH+](C)CC2)c3C)cc1OCC ZINC000021913976 195331727 /nfs/dbraw/zinc/33/17/27/195331727.db2.gz ROXIVYMJFCKVIF-UHFFFAOYSA-N 1 0 480.613 2.788 50 0 JFAARO CCc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000058218337 195374017 /nfs/dbraw/zinc/37/40/17/195374017.db2.gz ZPDGJQGSBXZENL-KDURUIRLSA-N 1 0 465.660 2.756 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)c1ccccc1 ZINC000059264536 195396510 /nfs/dbraw/zinc/39/65/10/195396510.db2.gz UWCQCDRBBKQMLF-QHCPKHFHSA-N 1 0 462.598 2.833 50 0 JFAARO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)cc1 ZINC000045944317 519440943 /nfs/dbraw/zinc/44/09/43/519440943.db2.gz RJRKHECGPXLBAZ-UHFFFAOYSA-N 1 0 457.640 2.940 50 0 JFAARO CC(C)CC[C@@]1(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012219261 519687695 /nfs/dbraw/zinc/68/76/95/519687695.db2.gz GGUUAYPMFQJVOK-VWLOTQADSA-N 1 0 460.594 2.895 50 0 JFAARO CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033696 519838776 /nfs/dbraw/zinc/83/87/76/519838776.db2.gz HZQGOGRFNQFHJJ-NRFANRHFSA-N 1 0 486.638 2.929 50 0 JFAARO CCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(CC)n4)sc3C)CC2)CC1 ZINC000035502690 519855501 /nfs/dbraw/zinc/85/55/01/519855501.db2.gz YYGXWZTUVHWLJU-UHFFFAOYSA-N 1 0 495.671 2.624 50 0 JFAARO CCC[NH+]1CCN(C(=O)CCc2c(C)n(CC)c3cc(-c4ccccc4OC)nn3c2=O)CC1 ZINC000020437186 519855618 /nfs/dbraw/zinc/85/56/18/519855618.db2.gz MORVYIZKYJGQKJ-UHFFFAOYSA-N 1 0 465.598 2.987 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)CC1 ZINC000045895354 519857529 /nfs/dbraw/zinc/85/75/29/519857529.db2.gz BDOQVSUZHGFLPJ-MRXNPFEDSA-N 1 0 453.509 2.510 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062042 519857534 /nfs/dbraw/zinc/85/75/34/519857534.db2.gz LARGQSILWXTPSR-UHFFFAOYSA-N 1 0 491.123 2.726 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)[C@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)CC1 ZINC000045895357 519858284 /nfs/dbraw/zinc/85/82/84/519858284.db2.gz BDOQVSUZHGFLPJ-INIZCTEOSA-N 1 0 453.509 2.510 50 0 JFAARO CCC[NH+]1CCN(c2nnc(-n3cccc3CN3CCN(c4ccccn4)CC3)s2)CC1 ZINC000021880813 519860933 /nfs/dbraw/zinc/86/09/33/519860933.db2.gz APTRJJKKYIFGAS-UHFFFAOYSA-N 1 0 452.632 2.578 50 0 JFAARO CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)ccc21 ZINC000033262805 520139199 /nfs/dbraw/zinc/13/91/99/520139199.db2.gz ZVMFDJFTJUKNBR-IBGZPJMESA-N 1 0 490.674 2.794 50 0 JFAARO CCOc1cc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)ccc1OC ZINC000020452895 520699864 /nfs/dbraw/zinc/69/98/64/520699864.db2.gz ZVQUUQSSJSNPHD-IBGZPJMESA-N 1 0 459.591 2.594 50 0 JFAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)CN3Cc4ccc(OC)cc4O[C@H](C)C3)CC2)C1 ZINC000012218573 521296841 /nfs/dbraw/zinc/29/68/41/521296841.db2.gz VKLYJLZPMSJQKT-CTNGQTDRSA-N 1 0 473.614 2.544 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCC[NH+]3CCCCCC3)CC2)c1C ZINC000046046273 521365366 /nfs/dbraw/zinc/36/53/66/521365366.db2.gz LWTUTCZIRHBRIE-UHFFFAOYSA-N 1 0 474.646 2.972 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)c1C ZINC000046046151 521365620 /nfs/dbraw/zinc/36/56/20/521365620.db2.gz ACQVOHSEVHPORR-UHFFFAOYSA-N 1 0 462.635 2.828 50 0 JFAARO CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000036146135 521490961 /nfs/dbraw/zinc/49/09/61/521490961.db2.gz JDMPIPMQQWLVTH-NRFANRHFSA-N 1 0 480.675 2.861 50 0 JFAARO CCC[NH+](CCC)CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000008595114 521644633 /nfs/dbraw/zinc/64/46/33/521644633.db2.gz NGPOMDUKTWRHRL-UHFFFAOYSA-N 1 0 467.661 2.720 50 0 JFAARO CCN1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3cc(C)c(C)cc3C)c2)CC1 ZINC000033033579 521669446 /nfs/dbraw/zinc/66/94/46/521669446.db2.gz HPXLWESUNWTDIT-UHFFFAOYSA-N 1 0 499.681 2.600 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)CC1 ZINC000020508136 521681241 /nfs/dbraw/zinc/68/12/41/521681241.db2.gz AOABYTJRDUODTE-RPWUZVMVSA-N 1 0 484.666 2.819 50 0 JFAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCN(c4ncnc5onc(C)c54)C3)cc2)CC1 ZINC000021533201 521688306 /nfs/dbraw/zinc/68/83/06/521688306.db2.gz BWRVAZXQWLEBPG-FQEVSTJZSA-N 1 0 463.586 2.919 50 0 JFAARO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000014964963 521779302 /nfs/dbraw/zinc/77/93/02/521779302.db2.gz AWHIOMCMGNVPQM-QFIPXVFZSA-N 1 0 495.620 2.749 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccccc1 ZINC000016599993 522083298 /nfs/dbraw/zinc/08/32/98/522083298.db2.gz HVUNVLODLMSZJZ-JOCHJYFZSA-N 1 0 481.574 2.927 50 0 JFAARO 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Cc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C(C)C)cc1 ZINC000008951921 554835129 /nfs/dbraw/zinc/83/51/29/554835129.db2.gz FPYJGUOKYIRWOU-ZEQRLZLVSA-N 1 0 464.610 2.883 50 0 biogenic JFAARO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000009052096 554872697 /nfs/dbraw/zinc/87/26/97/554872697.db2.gz DMZBMUOWSOQKHE-HXUWFJFHSA-N 1 0 461.609 2.621 50 0 JFAARO COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCC[NH+]5CCCC5)C4)sc3n2)cc1 ZINC000009117469 554907005 /nfs/dbraw/zinc/90/70/05/554907005.db2.gz QOCCWIKAWWUVPI-SFHVURJKSA-N 1 0 454.600 2.895 50 0 JFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009224319 554995839 /nfs/dbraw/zinc/99/58/39/554995839.db2.gz YUJRCRBKHYXZJS-NRFANRHFSA-N 1 0 463.003 2.884 50 0 JFAARO Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)C3)c12 ZINC000009228935 555002770 /nfs/dbraw/zinc/00/27/70/555002770.db2.gz UCVWGHWVTOUFRF-IBGZPJMESA-N 1 0 481.576 2.610 50 0 JFAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000009255230 555031502 /nfs/dbraw/zinc/03/15/02/555031502.db2.gz BPPPNXVIMAIDSA-UHFFFAOYSA-N 1 0 453.568 2.839 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(C)C)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000009347882 555114107 /nfs/dbraw/zinc/11/41/07/555114107.db2.gz IOCAYCTUXKSDNB-YRCDICCDSA-N 1 0 495.551 2.852 50 0 JFAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009388065 555149563 /nfs/dbraw/zinc/14/95/63/555149563.db2.gz VIUWGQIJIPVZPQ-HXUWFJFHSA-N 1 0 481.549 2.754 50 0 JFAARO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009453957 555225250 /nfs/dbraw/zinc/22/52/50/555225250.db2.gz RFXUFRVBWGEHCS-DEOSSOPVSA-N 1 0 466.607 2.848 50 0 JFAARO CC[NH+](CC)CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C ZINC000009498953 555283574 /nfs/dbraw/zinc/28/35/74/555283574.db2.gz NBWOOFCGWGKFAA-INIZCTEOSA-N 1 0 461.632 2.629 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529920 555324427 /nfs/dbraw/zinc/32/44/27/555324427.db2.gz XVRPBLOIAFOCGA-VXKWHMMOSA-N 1 0 484.647 2.761 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000009604064 555430545 /nfs/dbraw/zinc/43/05/45/555430545.db2.gz XTQKDHOPCDMEBL-UHFFFAOYSA-N 1 0 490.607 2.526 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3F)CC2)c1 ZINC000009714312 555443268 /nfs/dbraw/zinc/44/32/68/555443268.db2.gz ZNWYBSPXYGWAOJ-UHFFFAOYSA-N 1 0 476.556 2.550 50 0 JFAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000009714460 555443548 /nfs/dbraw/zinc/44/35/48/555443548.db2.gz RYDDSLNWOXKNBW-UHFFFAOYSA-N 1 0 465.385 2.556 50 0 JFAARO Cn1c2nc(N3CC[NH+](CCCc4ccccc4)CC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000009714519 555443944 /nfs/dbraw/zinc/44/39/44/555443944.db2.gz NXXIVFQMGMKKIJ-UHFFFAOYSA-N 1 0 486.620 2.811 50 0 JFAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000009741561 555472922 /nfs/dbraw/zinc/47/29/22/555472922.db2.gz RTVMOSNEKFWNPI-XMMPIXPASA-N 1 0 490.670 2.520 50 0 JFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(C(=O)OC)cc3)nc1=O)CCC2 ZINC000009745552 555476992 /nfs/dbraw/zinc/47/69/92/555476992.db2.gz VSGZZHAOOWVHDD-UHFFFAOYSA-N 1 0 458.584 2.591 50 0 JFAARO COc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1OC ZINC000009747881 555479732 /nfs/dbraw/zinc/47/97/32/555479732.db2.gz GCBKIHSXMZHSLG-UHFFFAOYSA-N 1 0 460.600 2.822 50 0 JFAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000013522602 555486362 /nfs/dbraw/zinc/48/63/62/555486362.db2.gz MVBSHUFHCPQGHS-HXUWFJFHSA-N 1 0 463.987 2.967 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000013574864 555513443 /nfs/dbraw/zinc/51/34/43/555513443.db2.gz CKRIEFAYLRVQTK-FLFXDLLNSA-N 1 0 453.926 2.809 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000013575984 555514968 /nfs/dbraw/zinc/51/49/68/555514968.db2.gz KMFKLIKUWOSGJH-MTXNFPGFSA-N 1 0 498.377 2.918 50 0 JFAARO CCC[NH+](CCC)CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000009833583 555536382 /nfs/dbraw/zinc/53/63/82/555536382.db2.gz SXZOEFWMZRVSIU-UHFFFAOYSA-N 1 0 493.608 2.752 50 0 JFAARO COc1ccc([C@@H](CNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)[NH+]2CCCC2)cc1 ZINC000010037566 555603973 /nfs/dbraw/zinc/60/39/73/555603973.db2.gz ARNBSBRAHLFSQF-XMMPIXPASA-N 1 0 486.638 2.985 50 0 JFAARO C[NH+](C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2cc3c(cc2s1)OCCO3 ZINC000010068235 555614259 /nfs/dbraw/zinc/61/42/59/555614259.db2.gz MHWDWEUCYRAVOG-UHFFFAOYSA-N 1 0 480.546 2.648 50 0 JFAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000020114294 555652174 /nfs/dbraw/zinc/65/21/74/555652174.db2.gz RRMDOQYJSUVKBK-RPBOFIJWSA-N 1 0 498.599 2.507 50 0 JFAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114974 555652630 /nfs/dbraw/zinc/65/26/30/555652630.db2.gz AFMBSRBOTDPQBR-QHCPKHFHSA-N 1 0 495.649 2.664 50 0 JFAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000020114986 555652764 /nfs/dbraw/zinc/65/27/64/555652764.db2.gz COENPWJMXYYWIL-HSZRJFAPSA-N 1 0 495.649 2.582 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)[NH+]2CCCC2)cc1 ZINC000014068662 555677535 /nfs/dbraw/zinc/67/75/35/555677535.db2.gz NLMOYRPXHRSKMS-DEOSSOPVSA-N 1 0 487.622 2.591 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000014183604 555725102 /nfs/dbraw/zinc/72/51/02/555725102.db2.gz XGVCDKGVRMBFEA-WIOPSUGQSA-N 1 0 466.538 2.633 50 0 JFAARO CCC[NH+](CCC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C ZINC000020242006 555738348 /nfs/dbraw/zinc/73/83/48/555738348.db2.gz HQCQYWXUOCUGOX-UHFFFAOYSA-N 1 0 451.589 2.812 50 0 JFAARO COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCC[NH+]3CCCCCC3)c(C)o2)c1 ZINC000020242002 555738351 /nfs/dbraw/zinc/73/83/51/555738351.db2.gz VMPZPTOKUZULPT-UHFFFAOYSA-N 1 0 463.600 2.956 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000014241134 555742258 /nfs/dbraw/zinc/74/22/58/555742258.db2.gz CTGSBKUOIVLTNO-UHFFFAOYSA-N 1 0 460.600 2.604 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020288964 555758938 /nfs/dbraw/zinc/75/89/38/555758938.db2.gz FLODDTSRULRJLR-WMZHIEFXSA-N 1 0 489.661 2.713 50 0 JFAARO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020294983 555763242 /nfs/dbraw/zinc/76/32/42/555763242.db2.gz PWSMQAVKEPKNCJ-UHFFFAOYSA-N 1 0 480.590 2.852 50 0 JFAARO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCC[N@@H+](C)C1CCCCC1)nc2C ZINC000020563115 555814759 /nfs/dbraw/zinc/81/47/59/555814759.db2.gz LROZQXACTSXDOI-UHFFFAOYSA-N 1 0 450.587 2.970 50 0 JFAARO Cc1csc([C@H](C)N(C)C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(CC[NH+](C)C)C2=O)n1 ZINC000011784138 555815491 /nfs/dbraw/zinc/81/54/91/555815491.db2.gz CCFBCXWJIFWJAY-QMHKHESXSA-N 1 0 460.575 2.759 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)CC1 ZINC000011786522 555819941 /nfs/dbraw/zinc/81/99/41/555819941.db2.gz TZDZGYZTYGKLIN-DEOSSOPVSA-N 1 0 475.033 2.644 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566374 555820663 /nfs/dbraw/zinc/82/06/63/555820663.db2.gz YUKOQZBTSJQSDD-IHSNIMORSA-N 1 0 466.401 2.723 50 0 JFAARO CCC[NH+]1CCC(N2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)Nc2cccc(SC)c2)CC1 ZINC000011787673 555821826 /nfs/dbraw/zinc/82/18/26/555821826.db2.gz JVFXFOUCAHRPDB-UGKGYDQZSA-N 1 0 486.642 2.915 50 0 JFAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(OCCO)cc1)CC2 ZINC000014535645 555824732 /nfs/dbraw/zinc/82/47/32/555824732.db2.gz LHSHREMJIXGEIQ-UHFFFAOYSA-N 1 0 466.582 2.908 50 0 JFAARO CC(C)C[N@H+]1C[C@H](C(=O)NCCCN2CCOCC2)C[C@H](COc2ccc3c(c2)CCC3)C1 ZINC000014536837 555826146 /nfs/dbraw/zinc/82/61/46/555826146.db2.gz LGMNUGUYEIEEMS-WIOPSUGQSA-N 1 0 457.659 2.987 50 0 JFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH+]1CCN(c3ccc(O)cc3)CC1)C2 ZINC000014536932 555826411 /nfs/dbraw/zinc/82/64/11/555826411.db2.gz HRYNKAGPMPZJTD-HXUWFJFHSA-N 1 0 469.655 2.867 50 0 JFAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014537209 555826738 /nfs/dbraw/zinc/82/67/38/555826738.db2.gz WPGGIVKZLVLXIG-UHFFFAOYSA-N 1 0 467.566 2.889 50 0 JFAARO COc1cccc([C@@]2(CC(=O)N3CC[C@H](c4ccc(F)cc4)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011816269 555830816 /nfs/dbraw/zinc/83/08/16/555830816.db2.gz WLVSQZKKFWHGEU-CCLHPLFOSA-N 1 0 481.568 2.799 50 0 JFAARO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3ccoc3C)n2CC1 ZINC000011838988 555832211 /nfs/dbraw/zinc/83/22/11/555832211.db2.gz NVCIPJRBWMAVPO-HNNXBMFYSA-N 1 0 469.542 2.755 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@@H+](Cc1cc(C)c(C)cc1C)CC2 ZINC000020601666 555842153 /nfs/dbraw/zinc/84/21/53/555842153.db2.gz UOVPQIIWHHGVGP-UHFFFAOYSA-N 1 0 477.609 2.857 50 0 JFAARO CCC(CC)C[N@@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1ccc2ccccc2n1 ZINC000014999212 555843554 /nfs/dbraw/zinc/84/35/54/555843554.db2.gz YGIAHMZIIFLSQT-REWPJTCUSA-N 1 0 464.570 2.981 50 0 JFAARO O=C([C@@H]1CCC(=O)N1)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000011871972 555847128 /nfs/dbraw/zinc/84/71/28/555847128.db2.gz KKBHQSPUBDORHB-DEOSSOPVSA-N 1 0 463.578 2.867 50 0 JFAARO C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(C[NH+]3CCCCC3)s1)CC2 ZINC000011872049 555847441 /nfs/dbraw/zinc/84/74/41/555847441.db2.gz BSHGREKBRMYPCM-IBGZPJMESA-N 1 0 486.686 2.988 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)cc2)CC1 ZINC000011951998 555869942 /nfs/dbraw/zinc/86/99/42/555869942.db2.gz DEHNVIIYRHLRBG-JOCHJYFZSA-N 1 0 472.611 2.538 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000011946151 555870036 /nfs/dbraw/zinc/87/00/36/555870036.db2.gz IQOCDLYHDXEUNQ-UHFFFAOYSA-N 1 0 450.992 2.741 50 0 JFAARO COc1cc(C[C@H]2CC(C[NH2+]CCc3ccc(OC)c(OC)c3)=NO2)c(OC)c2c1OCO2 ZINC000015081402 555873000 /nfs/dbraw/zinc/87/30/00/555873000.db2.gz GAAJKEBFGWVDNP-SFHVURJKSA-N 1 0 458.511 2.969 50 0 JFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1 ZINC000011998209 555880680 /nfs/dbraw/zinc/88/06/80/555880680.db2.gz IWIHZSGUEBWSHC-IBGZPJMESA-N 1 0 491.592 2.725 50 0 JFAARO CC(C)CC[C@]1(C2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012040427 555893229 /nfs/dbraw/zinc/89/32/29/555893229.db2.gz MLQPYRRXSNZYMU-ATIYNZHBSA-N 1 0 470.614 2.517 50 0 JFAARO CC(C)CC[C@]1(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012040419 555893246 /nfs/dbraw/zinc/89/32/46/555893246.db2.gz MLQPYRRXSNZYMU-BKMJKUGQSA-N 1 0 470.614 2.517 50 0 JFAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000012129958 555911321 /nfs/dbraw/zinc/91/13/21/555911321.db2.gz HDKCTBZATBQHMY-UHFFFAOYSA-N 1 0 489.498 2.973 50 0 JFAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)CN3C(=O)c4ccccc4C3=O)nc21 ZINC000012140830 555919740 /nfs/dbraw/zinc/91/97/40/555919740.db2.gz CMAHELSXTRPGMD-UHFFFAOYSA-N 1 0 452.536 2.804 50 0 JFAARO Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000015671303 555928148 /nfs/dbraw/zinc/92/81/48/555928148.db2.gz BISUPSZLTOCLDR-UHFFFAOYSA-N 1 0 459.616 2.564 50 0 JFAARO CC(C)CCn1c2c(nc1N1CC[NH+](Cc3cccc4ccccc43)CC1)n(C)c(=O)[nH]c2=O ZINC000022409193 555930001 /nfs/dbraw/zinc/93/00/01/555930001.db2.gz IIGRAWVEYCPPGB-UHFFFAOYSA-N 1 0 460.582 2.945 50 0 JFAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+]CCc4ccncc4)CC3)cc2)CC1 ZINC000012182196 555935436 /nfs/dbraw/zinc/93/54/36/555935436.db2.gz RYYQZDABSPICBF-UHFFFAOYSA-N 1 0 465.598 2.797 50 0 JFAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]CCn3ccc4ccccc43)CC2)cc1 ZINC000012184915 555936480 /nfs/dbraw/zinc/93/64/80/555936480.db2.gz JNJVAPMQGRTDPK-UHFFFAOYSA-N 1 0 475.637 2.962 50 0 JFAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724309 555959796 /nfs/dbraw/zinc/95/97/96/555959796.db2.gz ASKVOODIXAIMEM-UHFFFAOYSA-N 1 0 478.641 2.890 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCC[NH+]4CCC(C)CC4)C3)n2)cc1OC ZINC000015726269 555963951 /nfs/dbraw/zinc/96/39/51/555963951.db2.gz YOWROZXPISUMGH-HXUWFJFHSA-N 1 0 471.602 2.814 50 0 JFAARO CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022914177 555969485 /nfs/dbraw/zinc/96/94/85/555969485.db2.gz QDAHBSOOGOEZQB-AREMUKBSSA-N 1 0 450.627 2.763 50 0 JFAARO Cc1cc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000022933011 555985680 /nfs/dbraw/zinc/98/56/80/555985680.db2.gz WJLQVYHQGJMRSK-UHFFFAOYSA-N 1 0 459.388 2.630 50 0 JFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000022937308 555990086 /nfs/dbraw/zinc/99/00/86/555990086.db2.gz MVKWWNGVUSGSKC-UHFFFAOYSA-N 1 0 479.654 2.867 50 0 JFAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3nc(CS(=O)(=O)c4ccccc4)no3)CC2)c1 ZINC000015786757 556006361 /nfs/dbraw/zinc/00/63/61/556006361.db2.gz SVHUDTKCPIHEPS-UHFFFAOYSA-N 1 0 468.579 2.994 50 0 JFAARO O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000023129005 556018099 /nfs/dbraw/zinc/01/80/99/556018099.db2.gz OMFFGTHLQIKIGK-SANMLTNESA-N 1 0 481.618 2.658 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000023130632 556019197 /nfs/dbraw/zinc/01/91/97/556019197.db2.gz OFXBWHXHLPJFHL-OAHLLOKOSA-N 1 0 460.550 2.716 50 0 JFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@H]1CCOC1 ZINC000023130741 556019278 /nfs/dbraw/zinc/01/92/78/556019278.db2.gz NYAFUHWBWHGWHJ-QFIPXVFZSA-N 1 0 461.566 2.568 50 0 JFAARO CC(C)c1ccc(C[NH+]2CCN(Cn3nc([C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 ZINC000023256988 556035953 /nfs/dbraw/zinc/03/59/53/556035953.db2.gz LGDDNEDRUNOTRN-FQEVSTJZSA-N 1 0 463.673 2.752 50 0 JFAARO COc1ccc(N2C(=O)C(=O)N(CN3CC[NH+](Cc4cccc5ccccc54)CC3)C2=O)cc1 ZINC000023257715 556036384 /nfs/dbraw/zinc/03/63/84/556036384.db2.gz OQCXJRWEERWZCN-UHFFFAOYSA-N 1 0 458.518 2.919 50 0 JFAARO COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCC[NH+]3CCCCCC3)c(C)o2)cc1OC ZINC000015944312 556080526 /nfs/dbraw/zinc/08/05/26/556080526.db2.gz DJJGOLUGIFUFTN-YTTGMZPUSA-N 1 0 463.600 2.908 50 0 JFAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000023736298 556086463 /nfs/dbraw/zinc/08/64/63/556086463.db2.gz BGOWDDAJLHTMOM-AREMUKBSSA-N 1 0 478.593 2.758 50 0 JFAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015958023 556089567 /nfs/dbraw/zinc/08/95/67/556089567.db2.gz WYQJUIYDCASQSO-IMBSWCNGSA-N 1 0 481.508 2.780 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015958999 556090783 /nfs/dbraw/zinc/09/07/83/556090783.db2.gz UFSLYHYYCIPNGW-BMEWAZJXSA-N 1 0 481.508 2.579 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959341 556090962 /nfs/dbraw/zinc/09/09/62/556090962.db2.gz PVBCCAXXJJYJBQ-DFIMXKNXSA-N 1 0 451.526 2.892 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959342 556091091 /nfs/dbraw/zinc/09/10/91/556091091.db2.gz PVBCCAXXJJYJBQ-QUIZSENMSA-N 1 0 451.526 2.892 50 0 biogenic JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000016010179 556109482 /nfs/dbraw/zinc/10/94/82/556109482.db2.gz WUVJXONIDKVXES-IMIIHFCZSA-N 1 0 475.451 2.838 50 0 JFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000016011540 556110643 /nfs/dbraw/zinc/11/06/43/556110643.db2.gz JXNIYCDCPMVART-AVJFOWIRSA-N 1 0 457.461 2.699 50 0 JFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016012740 556111691 /nfs/dbraw/zinc/11/16/91/556111691.db2.gz XRKRKVXSSIRFFM-GIRPNKPCSA-N 1 0 487.487 2.708 50 0 JFAARO CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)C1=O ZINC000024023651 556116919 /nfs/dbraw/zinc/11/69/19/556116919.db2.gz JPTCHOIHHPQXDM-DEOSSOPVSA-N 1 0 469.973 2.888 50 0 JFAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016032831 556116963 /nfs/dbraw/zinc/11/69/63/556116963.db2.gz GYISMPPKWPQJOZ-HQGMYGGFSA-N 1 0 481.508 2.641 50 0 biogenic JFAARO CNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC ZINC000012930443 556147327 /nfs/dbraw/zinc/14/73/27/556147327.db2.gz LTPFKEDZJXHSKL-UHFFFAOYSA-N 1 0 451.976 2.651 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1cccs1 ZINC000012944407 556156462 /nfs/dbraw/zinc/15/64/62/556156462.db2.gz LNRJWVQTCMLDRA-HXUWFJFHSA-N 1 0 457.568 2.846 50 0 JFAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(OCC(N)=O)cc1 ZINC000016806260 556162437 /nfs/dbraw/zinc/16/24/37/556162437.db2.gz BVYCUKYZJCDRQF-OAQYLSRUSA-N 1 0 469.925 2.807 50 0 JFAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000017012801 556202800 /nfs/dbraw/zinc/20/28/00/556202800.db2.gz MBTZWAWNJMIYMS-UHFFFAOYSA-N 1 0 479.606 2.800 50 0 JFAARO COc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)[NH+](C)C)cc1 ZINC000017121234 556219154 /nfs/dbraw/zinc/21/91/54/556219154.db2.gz XVTBZDBSEGCHHC-JOCHJYFZSA-N 1 0 474.627 2.631 50 0 JFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 ZINC000017276160 556250275 /nfs/dbraw/zinc/25/02/75/556250275.db2.gz OZWMQXYSTZKSGE-GOSISDBHSA-N 1 0 456.612 2.692 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccccc1 ZINC000013096147 556290017 /nfs/dbraw/zinc/29/00/17/556290017.db2.gz AQYHNXIJCWSNRM-HSZRJFAPSA-N 1 0 459.612 2.829 50 0 JFAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000013112391 556313385 /nfs/dbraw/zinc/31/33/85/556313385.db2.gz BEUOKOYGVKRKRJ-QZGUCNERSA-N 1 0 461.628 2.901 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCCC2)cc1 ZINC000013117254 556326149 /nfs/dbraw/zinc/32/61/49/556326149.db2.gz SDVHNQHHZODNSR-DEOSSOPVSA-N 1 0 487.622 2.673 50 0 JFAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000019229012 556336383 /nfs/dbraw/zinc/33/63/83/556336383.db2.gz KEEVPTDKYRIGRU-UHFFFAOYSA-N 1 0 452.555 2.578 50 0 JFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@H]1CCCO1 ZINC000019740769 556364082 /nfs/dbraw/zinc/36/40/82/556364082.db2.gz CCGQDTGWKLMDGS-XMMPIXPASA-N 1 0 475.593 2.753 50 0 JFAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000019790673 556370326 /nfs/dbraw/zinc/37/03/26/556370326.db2.gz FBJZOQATFYWVHZ-HSZRJFAPSA-N 1 0 473.573 2.631 50 0 JFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2)CC1 ZINC000032921832 556541375 /nfs/dbraw/zinc/54/13/75/556541375.db2.gz DMEWQJNVRHKVEE-DEOSSOPVSA-N 1 0 468.667 2.992 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c(O)c2c1 ZINC000006181399 562937074 /nfs/dbraw/zinc/93/70/74/562937074.db2.gz DTVKRZUTARXFCC-KRWDZBQOSA-N 1 0 462.616 2.965 50 0 JFAARO Cc1cccc(CN2CCN(CC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)c1 ZINC000008671451 562949502 /nfs/dbraw/zinc/94/95/02/562949502.db2.gz UXYLDKJTUGXFKC-UHFFFAOYSA-N 1 0 467.589 2.700 50 0 JFAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000056952862 569593596 /nfs/dbraw/zinc/59/35/96/569593596.db2.gz IEDLQIVCMKEUDQ-UHFFFAOYSA-N 1 0 480.572 2.947 50 0 JFAARO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000057273958 569595447 /nfs/dbraw/zinc/59/54/47/569595447.db2.gz GRSWYSOQWJLRHT-SFHVURJKSA-N 1 0 493.651 2.944 50 0 JFAARO COc1ccc([C@H](CNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000057281197 569595520 /nfs/dbraw/zinc/59/55/20/569595520.db2.gz GWHBOYUULKHMHF-DEOSSOPVSA-N 1 0 483.588 2.937 50 0 JFAARO COc1ccc([C@H](CNC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)[NH+]2CCCC2)cc1 ZINC000057273966 569595532 /nfs/dbraw/zinc/59/55/32/569595532.db2.gz ZSRICTJDJDZCRZ-DEOSSOPVSA-N 1 0 483.588 2.937 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414737 569600193 /nfs/dbraw/zinc/60/01/93/569600193.db2.gz OOQUKDVASJUXGH-XMMPIXPASA-N 1 0 464.566 2.684 50 0 JFAARO COc1cc(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCCCC3)CC2)cc(OC)c1OC ZINC000032974297 569605426 /nfs/dbraw/zinc/60/54/26/569605426.db2.gz LOGCIWCDLYAZJM-UHFFFAOYSA-N 1 0 461.603 2.947 50 0 JFAARO CCCCn1c(CCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000060374150 569608981 /nfs/dbraw/zinc/60/89/81/569608981.db2.gz OTMONQSZGUBBRH-IBGZPJMESA-N 1 0 475.659 2.716 50 0 JFAARO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccc(C)c(C)c3NC2=O)c1 ZINC000061997606 569609829 /nfs/dbraw/zinc/60/98/29/569609829.db2.gz DNDQAQWBBUWGSB-PNOLHXSVSA-N 1 0 461.518 2.752 50 0 biogenic JFAARO CC[C@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000062587409 569611963 /nfs/dbraw/zinc/61/19/63/569611963.db2.gz AQOSOEDMTQGDOI-YXPXJKJVSA-N 1 0 489.682 2.908 50 0 JFAARO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613428 569612964 /nfs/dbraw/zinc/61/29/64/569612964.db2.gz CENZDJFXGCBZDC-IAGOWNOFSA-N 1 0 487.066 2.936 50 0 JFAARO CCn1c2ccccc2nc(SCC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000033006502 569614855 /nfs/dbraw/zinc/61/48/55/569614855.db2.gz HKPSQTRILFABOZ-UHFFFAOYSA-N 1 0 465.623 2.837 50 0 JFAARO CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)cnc1N1CC[NH2+]CC1 ZINC000065025192 569650239 /nfs/dbraw/zinc/65/02/39/569650239.db2.gz JAJRACCEITWCSR-UHFFFAOYSA-N 1 0 459.616 2.781 50 0 JFAARO CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CC[NH2+]CC1 ZINC000065025208 569650394 /nfs/dbraw/zinc/65/03/94/569650394.db2.gz QZFBMIRLWFLJNN-QGZVFWFLSA-N 1 0 471.627 2.699 50 0 JFAARO CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000065025250 569650579 /nfs/dbraw/zinc/65/05/79/569650579.db2.gz MYVAYUYSHHUOKZ-UHFFFAOYSA-N 1 0 457.600 2.651 50 0 JFAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740638 569655508 /nfs/dbraw/zinc/65/55/08/569655508.db2.gz HZKUIXGWKRCXFI-UNMCSNQZSA-N 1 0 470.566 2.761 50 0 JFAARO COc1ccccc1CNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000065074706 569657330 /nfs/dbraw/zinc/65/73/30/569657330.db2.gz TVPZOUKESADZMK-UHFFFAOYSA-N 1 0 463.003 2.663 50 0 biogenic JFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cccc(OC)c2)cc1 ZINC000065074878 569657515 /nfs/dbraw/zinc/65/75/15/569657515.db2.gz SKTVWWNJXUCKEL-UHFFFAOYSA-N 1 0 456.612 2.572 50 0 biogenic JFAARO CCOC(=O)CCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034831879 569664327 /nfs/dbraw/zinc/66/43/27/569664327.db2.gz PDVRHHJPUHDKRK-UHFFFAOYSA-N 1 0 485.629 2.641 50 0 JFAARO Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000065117333 569667143 /nfs/dbraw/zinc/66/71/43/569667143.db2.gz WTIJVTPSXCCFTO-UHFFFAOYSA-N 1 0 468.579 2.789 50 0 JFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319247 569673889 /nfs/dbraw/zinc/67/38/89/569673889.db2.gz VDSVLUHQEDPPKQ-GOSISDBHSA-N 1 0 461.588 2.515 50 0 JFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287445 569684624 /nfs/dbraw/zinc/68/46/24/569684624.db2.gz KFGHLGWIFBPRBL-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO Cc1oc2ncn(CCC(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)c(=O)c2c1C ZINC000035378553 569685854 /nfs/dbraw/zinc/68/58/54/569685854.db2.gz FUDJXTKHORBSDS-UHFFFAOYSA-N 1 0 465.598 2.942 50 0 JFAARO CCCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068832562 569692431 /nfs/dbraw/zinc/69/24/31/569692431.db2.gz SAUIGLCLUQXKFC-DHIUTWEWSA-N 1 0 487.670 2.866 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCC3)C2)c1C ZINC000035447530 569696129 /nfs/dbraw/zinc/69/61/29/569696129.db2.gz CGVJDULMVTZAIG-OAQYLSRUSA-N 1 0 474.646 2.972 50 0 JFAARO O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000071282658 569696237 /nfs/dbraw/zinc/69/62/37/569696237.db2.gz VQWAUDLMBKEIIH-UHFFFAOYSA-N 1 0 461.562 2.700 50 0 JFAARO O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000071772347 569697925 /nfs/dbraw/zinc/69/79/25/569697925.db2.gz IRYXGELGXOETGM-UHFFFAOYSA-N 1 0 450.543 2.540 50 0 JFAARO C[NH+](C)CCNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000035559643 569703949 /nfs/dbraw/zinc/70/39/49/569703949.db2.gz GWMVUFCWKOOICD-HXUWFJFHSA-N 1 0 480.428 2.805 50 0 JFAARO O=C(CN1CCN([C@@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000084519423 569709267 /nfs/dbraw/zinc/70/92/67/569709267.db2.gz XJNIFGJDYSWINP-HSZRJFAPSA-N 1 0 490.526 2.862 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(C)ccc3NC2=O)cc1 ZINC000035780334 569711045 /nfs/dbraw/zinc/71/10/45/569711045.db2.gz WUDDWQYMJXMPJB-KKPNIWNPSA-N 1 0 459.502 2.603 50 0 biogenic JFAARO CC(C)(C)CC(=O)N1CCCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926355 569729629 /nfs/dbraw/zinc/72/96/29/569729629.db2.gz SOOUTYRBHXRIMV-UHFFFAOYSA-N 1 0 480.657 2.563 50 0 JFAARO O=C(C1CCCCC1)N1CCCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926351 569729657 /nfs/dbraw/zinc/72/96/57/569729657.db2.gz XBGPHWYQYIFIJS-UHFFFAOYSA-N 1 0 492.668 2.707 50 0 JFAARO O=C(CCc1ccccc1)N1CCN(c2nc(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)[nH]2)CC1 ZINC000035926691 569729745 /nfs/dbraw/zinc/72/97/45/569729745.db2.gz XLMZNFPPSIEAJF-UHFFFAOYSA-N 1 0 492.668 2.502 50 0 JFAARO COCC[NH+]1CCN(c2nc3nn(-c4ccc(OC)cc4)c(N)c3c(-c3ccc(OC)cc3)n2)CC1 ZINC000035929271 569731388 /nfs/dbraw/zinc/73/13/88/569731388.db2.gz MSWVBYRWKCSCFO-UHFFFAOYSA-N 1 0 489.580 2.850 50 0 JFAARO COc1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000096191557 569737147 /nfs/dbraw/zinc/73/71/47/569737147.db2.gz MLYIKHBVCYVNED-HOCLYGCPSA-N 1 0 485.400 2.917 50 0 JFAARO O=C1C[C@H](N2CCN(CCOc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000101076738 569781628 /nfs/dbraw/zinc/78/16/28/569781628.db2.gz KXAJUQSGXFJIMB-FQEVSTJZSA-N 1 0 458.356 2.778 50 0 JFAARO CCc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCC[NH+](C)C)C(=O)CO3)cc1 ZINC000037512513 569792225 /nfs/dbraw/zinc/79/22/25/569792225.db2.gz IHBJWQNPBCWRSS-UHFFFAOYSA-N 1 0 467.566 2.694 50 0 JFAARO O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21)NCC[NH+]1CCCC1 ZINC000037519850 569792770 /nfs/dbraw/zinc/79/27/70/569792770.db2.gz XYOHMUPMLWMWBN-UHFFFAOYSA-N 1 0 471.941 2.539 50 0 JFAARO Cc1ccc(S(=O)(=O)NCC(=O)NCCCOc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000039932489 569812398 /nfs/dbraw/zinc/81/23/98/569812398.db2.gz BVRNFDCZEDTSPA-UHFFFAOYSA-N 1 0 459.612 2.845 50 0 JFAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C(=O)OC)c(CC(=O)OC)c2C(=O)OC)cc1 ZINC000039978750 569812773 /nfs/dbraw/zinc/81/27/73/569812773.db2.gz XXUULLGSRGSXJO-CYBMUJFWSA-N 1 0 476.551 2.889 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000102527520 569813848 /nfs/dbraw/zinc/81/38/48/569813848.db2.gz QVKKMHZJKBQNJH-UZUQRXQVSA-N 1 0 457.596 2.973 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 ZINC000049581212 569849070 /nfs/dbraw/zinc/84/90/70/569849070.db2.gz FROSIILCFGPCOT-YADARESESA-N 1 0 476.595 2.944 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COC ZINC000169680189 569870200 /nfs/dbraw/zinc/87/02/00/569870200.db2.gz LGJTUMUMIQFOKK-DENIHFKCSA-N 1 0 480.602 2.738 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@@H](O)COC ZINC000169680324 569870328 /nfs/dbraw/zinc/87/03/28/569870328.db2.gz AAZBHMCZGGDYGF-XMSQKQJNSA-N 1 0 462.612 2.981 50 0 JFAARO CCCn1c2c(nc1N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000170624468 569873335 /nfs/dbraw/zinc/87/33/35/569873335.db2.gz NNCVFHQGUYLDHI-UHFFFAOYSA-N 1 0 458.566 2.745 50 0 JFAARO COC(=O)C[C@@H](c1ccccc1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225414968 569995700 /nfs/dbraw/zinc/99/57/00/569995700.db2.gz AVQVHWUIBNOFEC-LMNJBCLMSA-N 1 0 476.529 2.821 50 0 biogenic JFAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C[C@H]2C)c1 ZINC000230136689 570045640 /nfs/dbraw/zinc/04/56/40/570045640.db2.gz GYTYTEXPVNLIGA-OAQYLSRUSA-N 1 0 486.620 2.914 50 0 JFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCCN1CCOCC1)C2 ZINC000230138112 570045864 /nfs/dbraw/zinc/04/58/64/570045864.db2.gz ZSHBRYUNOYOXHG-VPUSJEBWSA-N 1 0 496.627 2.536 50 0 JFAARO COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000230188376 570046052 /nfs/dbraw/zinc/04/60/52/570046052.db2.gz CRYMVZOZQSFNLZ-FAODYONGSA-N 1 0 482.334 2.889 50 0 JFAARO COc1ccc2c(c1)CCN(C(=O)CN1CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)C2 ZINC000239807988 570052777 /nfs/dbraw/zinc/05/27/77/570052777.db2.gz KEBALTWKHVUDKK-UHFFFAOYSA-N 1 0 512.610 2.647 50 0 JFAARO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241231177 570053177 /nfs/dbraw/zinc/05/31/77/570053177.db2.gz KSUWGHTXFKYVMY-OFNKIYASSA-N 1 0 499.633 2.906 50 0 JFAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000244983870 570054452 /nfs/dbraw/zinc/05/44/52/570054452.db2.gz IUSABXVBIWOMSR-XMMPIXPASA-N 1 0 453.627 2.728 50 0 JFAARO O=C(c1cnn2c1OCCC2)N1CCC([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC000244998770 570054500 /nfs/dbraw/zinc/05/45/00/570054500.db2.gz KSSJAPBFTNVYAD-UHFFFAOYSA-N 1 0 464.492 2.506 50 0 JFAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000245171680 570054605 /nfs/dbraw/zinc/05/46/05/570054605.db2.gz XPTGCIIHDJXPNW-JOCHJYFZSA-N 1 0 491.636 2.820 50 0 JFAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245279555 570061545 /nfs/dbraw/zinc/06/15/45/570061545.db2.gz HZKUIXGWKRCXFI-RBBKRZOGSA-N 1 0 470.566 2.761 50 0 JFAARO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Br)cc54)[C@H]3C2=O)cc1 ZINC000245313037 570063873 /nfs/dbraw/zinc/06/38/73/570063873.db2.gz ZCKINYWZIMYPQQ-LVBDUCALSA-N 1 0 482.334 2.889 50 0 JFAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000245328761 570065908 /nfs/dbraw/zinc/06/59/08/570065908.db2.gz PKTVOZQHUAKBMD-RBUKOAKNSA-N 1 0 463.550 2.696 50 0 JFAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247859785 570070225 /nfs/dbraw/zinc/07/02/25/570070225.db2.gz VWQFHLSYXDDIMQ-LUCIHVKJSA-N 1 0 465.893 2.558 50 0 JFAARO COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397623 570096131 /nfs/dbraw/zinc/09/61/31/570096131.db2.gz BOIAYPLNLVSAMI-FAGZOMQFSA-N 1 0 459.587 2.613 50 0 biogenic JFAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000299765484 570175190 /nfs/dbraw/zinc/17/51/90/570175190.db2.gz NQYKRHNOAUXZQH-DEOSSOPVSA-N 1 0 450.583 2.862 50 0 JFAARO COc1ccc(OC)c(-c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c(N3CC[NH+](C)CC3)n2)c1 ZINC000299776030 570176180 /nfs/dbraw/zinc/17/61/80/570176180.db2.gz MSKCQAHRQPDYRO-HDICACEKSA-N 1 0 454.571 2.767 50 0 JFAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCC[NH+](C)C)cc1C ZINC000003670441 194358368 /nfs/dbraw/zinc/35/83/68/194358368.db2.gz KRIQSDHXDTXYKH-NRFANRHFSA-N 1 0 461.360 2.941 50 0 JFAARO CCC[NH+](CCC)CCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000004034424 194371030 /nfs/dbraw/zinc/37/10/30/194371030.db2.gz RXGAAKBVAQXHBF-DEOSSOPVSA-N 1 0 486.638 2.829 50 0 JFAARO CC[N@H+](CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)Cc1ccccc1 ZINC000004034843 194371294 /nfs/dbraw/zinc/37/12/94/194371294.db2.gz SIHDCNGOQRGQQF-UHFFFAOYSA-N 1 0 485.610 2.652 50 0 JFAARO CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)n(CC[NH+](C)C)c2c1CCCC2 ZINC000009747343 194940915 /nfs/dbraw/zinc/94/09/15/194940915.db2.gz GDTHLSRDMCZFKF-UHFFFAOYSA-N 1 0 458.584 2.591 50 0 JFAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009909891 195021008 /nfs/dbraw/zinc/02/10/08/195021008.db2.gz NYPJCYRPRPIDBL-UHFFFAOYSA-N 1 0 457.596 2.623 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)CC1 ZINC000012595695 195043379 /nfs/dbraw/zinc/04/33/79/195043379.db2.gz PBTJQGIPUWQHEI-SFHVURJKSA-N 1 0 450.539 2.591 50 0 JFAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCC[NH+](C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012657758 195078608 /nfs/dbraw/zinc/07/86/08/195078608.db2.gz FSISLLNMVKHBPA-IBGZPJMESA-N 1 0 455.555 2.837 50 0 biogenic JFAARO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012904882 195179080 /nfs/dbraw/zinc/17/90/80/195179080.db2.gz SWZBYMBYWQGSPP-SFHVURJKSA-N 1 0 453.461 2.839 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)CC)cc2c1O ZINC000020682449 195204290 /nfs/dbraw/zinc/20/42/90/195204290.db2.gz DMPPHJNGYBQWNH-GOSISDBHSA-N 1 0 476.643 2.943 50 0 JFAARO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000020687317 195205615 /nfs/dbraw/zinc/20/56/15/195205615.db2.gz KLFNWEBUARNPLE-XMMPIXPASA-N 1 0 464.610 2.823 50 0 JFAARO CCc1ccc(C2=NN(CCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)C(=O)CC2)cc1 ZINC000020733655 195211434 /nfs/dbraw/zinc/21/14/34/195211434.db2.gz ZUHGXXHXCUIPBO-UHFFFAOYSA-N 1 0 475.637 2.900 50 0 JFAARO COc1cc(C(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C)cc(OC)c1OC ZINC000020893069 195237896 /nfs/dbraw/zinc/23/78/96/195237896.db2.gz IGBYDRNNVXOGKH-UHFFFAOYSA-N 1 0 453.543 2.599 50 0 JFAARO Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020944095 195256261 /nfs/dbraw/zinc/25/62/61/195256261.db2.gz VRFOVEWMWNNNOH-UHFFFAOYSA-N 1 0 487.048 2.999 50 0 JFAARO CC[C@H](C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943591 195256342 /nfs/dbraw/zinc/25/63/42/195256342.db2.gz PVXRPSVUWRSWRA-OAQYLSRUSA-N 1 0 473.021 2.689 50 0 JFAARO CN(CC(=O)NCCC[N@H+](Cc1ccco1)C1CCCC1)c1nnc(N2CCCC2=O)s1 ZINC000021026162 195268702 /nfs/dbraw/zinc/26/87/02/195268702.db2.gz RFSCMTCSYWMXKV-UHFFFAOYSA-N 1 0 460.604 2.645 50 0 JFAARO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccccc1 ZINC000021026890 195269181 /nfs/dbraw/zinc/26/91/81/195269181.db2.gz SHZSZCOMVXRYSA-FQEVSTJZSA-N 1 0 470.643 2.910 50 0 JFAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000021052336 195272873 /nfs/dbraw/zinc/27/28/73/195272873.db2.gz TWKAKIYYRCZRCL-OAQYLSRUSA-N 1 0 470.705 2.508 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1cccc(OC)c1 ZINC000021071244 195273530 /nfs/dbraw/zinc/27/35/30/195273530.db2.gz KWCPOMDSEWIJNR-HOFKKMOUSA-N 1 0 478.593 2.978 50 0 JFAARO C[C@@H](CCNC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)[NH+]1CCCC1 ZINC000021110028 195277637 /nfs/dbraw/zinc/27/76/37/195277637.db2.gz YFVAXODBSQYRRF-WEZXKFLESA-N 1 0 453.612 2.902 50 0 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COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014742434 523803409 /nfs/dbraw/zinc/80/34/09/523803409.db2.gz PCHHBDQCZTXGST-FQEVSTJZSA-N 1 0 494.592 2.934 50 0 JFAARO C[NH+]1CCN(CCNC(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)CC1 ZINC000065002520 523903737 /nfs/dbraw/zinc/90/37/37/523903737.db2.gz QYZJVKDDZSQMMI-UHFFFAOYSA-N 1 0 458.610 2.539 50 0 JFAARO COc1cccc([C@@H](CNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)[NH+]2CCCC2)c1 ZINC000022619035 524094458 /nfs/dbraw/zinc/09/44/58/524094458.db2.gz SAXPPUMMIAOSCG-JOCHJYFZSA-N 1 0 459.612 2.934 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)CC2)c1 ZINC000008591300 524126395 /nfs/dbraw/zinc/12/63/95/524126395.db2.gz CLDYKETYQKWKNQ-UHFFFAOYSA-N 1 0 472.593 2.823 50 0 JFAARO Cc1cc(C)c(C(=O)N2CCC([C@]3(Cc4cccc(F)c4)NC(=O)N(CC[NH+](C)C)C3=O)CC2)[nH]1 ZINC000014956946 524222583 /nfs/dbraw/zinc/22/25/83/524222583.db2.gz VLHBCOIJKHRJBT-SANMLTNESA-N 1 0 483.588 2.718 50 0 JFAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)C[C@@H](C)c1ccccc1 ZINC000045944620 524248150 /nfs/dbraw/zinc/24/81/50/524248150.db2.gz GJGUGLSUHXHPKN-GOSISDBHSA-N 1 0 480.030 2.965 50 0 JFAARO COc1ccccc1C(=O)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255084 524344181 /nfs/dbraw/zinc/34/41/81/524344181.db2.gz BDMXXDLXSCASLX-DEOSSOPVSA-N 1 0 456.631 2.614 50 0 JFAARO COc1ccccc1CCNC(=O)Cc1ccc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)cc1 ZINC000012470109 524413865 /nfs/dbraw/zinc/41/38/65/524413865.db2.gz TUWMZHFMCYXNBZ-VWLOTQADSA-N 1 0 467.610 2.570 50 0 JFAARO Cc1cccc(N2CCN(C(=O)C[C@]3(c4ccccc4F)CC(=O)N(CC[NH+](C)C)C3=O)CC2)c1C ZINC000012246937 524548247 /nfs/dbraw/zinc/54/82/47/524548247.db2.gz YTKLDDPUACDTIQ-MUUNZHRXSA-N 1 0 494.611 2.740 50 0 JFAARO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[NH+]1CCCC1 ZINC000022679551 524732301 /nfs/dbraw/zinc/73/23/01/524732301.db2.gz VSTZHCQYFLJGQQ-WIYYLYMNSA-N 1 0 465.550 2.773 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000022759590 525019616 /nfs/dbraw/zinc/01/96/16/525019616.db2.gz PMQLZLCHIXIMFM-IBGZPJMESA-N 1 0 451.614 2.577 50 0 JFAARO Cc1ccccc1C[C@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(CCC[NH+](C)C)C1=O ZINC000012244385 525200424 /nfs/dbraw/zinc/20/04/24/525200424.db2.gz SKGWFQBPUNWYFE-AREMUKBSSA-N 1 0 466.582 2.925 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[C@H](C)[NH+]4CCCC4)CC3)s2)cc1 ZINC000033024548 525258661 /nfs/dbraw/zinc/25/86/61/525258661.db2.gz NQYQEUKMXQZJTB-SFHVURJKSA-N 1 0 498.653 2.942 50 0 JFAARO Cc1ccccc1OCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2)s1 ZINC000033027345 525317094 /nfs/dbraw/zinc/31/70/94/525317094.db2.gz LBXOCKJMQNKGFZ-UHFFFAOYSA-N 1 0 494.621 2.655 50 0 JFAARO Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048216 525581552 /nfs/dbraw/zinc/58/15/52/525581552.db2.gz ZXCDFUNQGCSSCM-UHFFFAOYSA-N 1 0 450.612 2.710 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1Cl ZINC000033275456 525608545 /nfs/dbraw/zinc/60/85/45/525608545.db2.gz LRSSEGLDVJMUQC-UHFFFAOYSA-N 1 0 450.992 2.997 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NC[C@@H]3CCCO3)c2)cc1Cl ZINC000033121307 525610724 /nfs/dbraw/zinc/61/07/24/525610724.db2.gz NYRQBZMXYQHGBA-SFHVURJKSA-N 1 0 493.029 2.768 50 0 JFAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCN2CC[NH+](C)CC2)C3=O)o1 ZINC000021811874 525618860 /nfs/dbraw/zinc/61/88/60/525618860.db2.gz RDHKHTCBCZIJIB-AREMUKBSSA-N 1 0 469.630 2.844 50 0 JFAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCN1CC[NH+](C)CC1)C3=O ZINC000021856325 525642452 /nfs/dbraw/zinc/64/24/52/525642452.db2.gz JWESJNPGALXGSV-MHZLTWQESA-N 1 0 481.641 2.561 50 0 JFAARO Cc1cc2nc(C)c(=O)n(CC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c2cc1C ZINC000033254823 525670030 /nfs/dbraw/zinc/67/00/30/525670030.db2.gz LERPWANSKZJUHE-UHFFFAOYSA-N 1 0 465.573 2.789 50 0 JFAARO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@@H+](Cc2cc(OC)ccc2OC)CC3)c1 ZINC000014987777 525825102 /nfs/dbraw/zinc/82/51/02/525825102.db2.gz NUJQQEBQMOVPDZ-KRWDZBQOSA-N 1 0 465.554 2.853 50 0 JFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCC[C@@H](C)[NH+]1CCCCCC1)c2=O ZINC000064970789 525936151 /nfs/dbraw/zinc/93/61/51/525936151.db2.gz OGAWLZFJMNRWLN-GOSISDBHSA-N 1 0 450.587 2.970 50 0 JFAARO C[C@H](C(=O)NCCN1CC[NH+](C)CC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113954 526050900 /nfs/dbraw/zinc/05/09/00/526050900.db2.gz SUFHOTDPQGMECO-KRWDZBQOSA-N 1 0 460.022 2.673 50 0 JFAARO Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)n21 ZINC000020464922 526147047 /nfs/dbraw/zinc/14/70/47/526147047.db2.gz MDCGXGSABJQOPX-OAQYLSRUSA-N 1 0 478.641 2.975 50 0 JFAARO COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000014978557 526234917 /nfs/dbraw/zinc/23/49/17/526234917.db2.gz XOJJWKYVRAKRKD-ROUUACIJSA-N 1 0 476.957 2.988 50 0 JFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008662048 526250819 /nfs/dbraw/zinc/25/08/19/526250819.db2.gz CMDCPXDMRSPLNQ-SFHVURJKSA-N 1 0 474.627 2.697 50 0 JFAARO Cc1csc(-c2cc(C(=O)NCC[C@H]3CCC[N@H+]3C)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014536769 526299176 /nfs/dbraw/zinc/29/91/76/526299176.db2.gz NNOSYRIGBFVIPA-HXUWFJFHSA-N 1 0 477.652 2.959 50 0 JFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000033045211 526313383 /nfs/dbraw/zinc/31/33/83/526313383.db2.gz YGHVTIQMDUAIFF-NRFANRHFSA-N 1 0 464.639 2.842 50 0 JFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060366 526313694 /nfs/dbraw/zinc/31/36/94/526313694.db2.gz OTHTXEPWVIQKPO-UHFFFAOYSA-N 1 0 485.013 2.991 50 0 JFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000021729678 526322361 /nfs/dbraw/zinc/32/23/61/526322361.db2.gz MKILPWTUPANDMK-UHFFFAOYSA-N 1 0 466.607 2.732 50 0 JFAARO O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000035459743 526367446 /nfs/dbraw/zinc/36/74/46/526367446.db2.gz NMYWDKCHDGGWDA-UHFFFAOYSA-N 1 0 496.743 2.996 50 0 JFAARO O=C(NC[C@@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033033728 526519680 /nfs/dbraw/zinc/51/96/80/526519680.db2.gz WKFSLVSPIFKACH-INIZCTEOSA-N 1 0 496.992 2.598 50 0 JFAARO O=C(NC[C@@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033033683 526520431 /nfs/dbraw/zinc/52/04/31/526520431.db2.gz RBSIFBLQMAWWKL-QFIPXVFZSA-N 1 0 498.649 2.685 50 0 JFAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCCC1 ZINC000033032935 526700720 /nfs/dbraw/zinc/70/07/20/526700720.db2.gz LMYDOCPDQPGQHB-UHFFFAOYSA-N 1 0 493.427 2.896 50 0 JFAARO O=C(C[NH2+][C@@H](CN1CCOCC1)c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000023473030 526887681 /nfs/dbraw/zinc/88/76/81/526887681.db2.gz WKRZPIJMBRMODA-IWQUUTMOSA-N 1 0 494.617 2.502 50 0 JFAARO O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000033263590 527181787 /nfs/dbraw/zinc/18/17/87/527181787.db2.gz CQFROQXVVNFWPA-OAHLLOKOSA-N 1 0 491.017 2.508 50 0 JFAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCN2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014745221 527273018 /nfs/dbraw/zinc/27/30/18/527273018.db2.gz RWSDAYCYVHWMHO-IZZNHLLZSA-N 1 0 490.648 2.701 50 0 JFAARO Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000033308075 527519078 /nfs/dbraw/zinc/51/90/78/527519078.db2.gz QMLGVRUSQYGVGQ-UHFFFAOYSA-N 1 0 454.600 2.956 50 0 JFAARO Cn1cnnc1SCC[NH2+]C1CCN(c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000012243771 527527999 /nfs/dbraw/zinc/52/79/99/527527999.db2.gz GHKQHDZHKZNXCB-UHFFFAOYSA-N 1 0 472.640 2.967 50 0 JFAARO O[C@@H](CNCC[NH2+]C[C@H](O)COCc1ccccc1Cl)COCc1ccccc1Cl ZINC000022790035 527651084 /nfs/dbraw/zinc/65/10/84/527651084.db2.gz QETCUJTUTRYLSX-PMACEKPBSA-N 1 0 457.398 2.628 50 0 JFAARO COc1cc2nc(N3CCN(C(=O)COc4ccccc4Cl)CC3)nc(N)c2cc1OC ZINC000000638454 553722280 /nfs/dbraw/zinc/72/22/80/553722280.db2.gz LBQRJZUDACMKGZ-UHFFFAOYSA-N 1 0 457.918 2.610 50 0 JFAARO COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+](C)C)CC(=O)N32)cc1 ZINC000002122744 554056923 /nfs/dbraw/zinc/05/69/23/554056923.db2.gz QYGVZZPWWVRIMW-DHLKQENFSA-N 1 0 474.561 2.591 50 0 biogenic JFAARO C[N@H+](CCCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)Cc1ccccc1 ZINC000004791711 554479762 /nfs/dbraw/zinc/47/97/62/554479762.db2.gz PKWIMBKSRIRTPO-UHFFFAOYSA-N 1 0 487.398 2.871 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000008855643 554751404 /nfs/dbraw/zinc/75/14/04/554751404.db2.gz OKXCSPPBHJCUJP-UHFFFAOYSA-N 1 0 472.611 2.568 50 0 JFAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000008927486 554825017 /nfs/dbraw/zinc/82/50/17/554825017.db2.gz DXAJCCQWIIKAGY-KRWDZBQOSA-N 1 0 450.276 2.764 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCCC2)cc1 ZINC000009056597 554875231 /nfs/dbraw/zinc/87/52/31/554875231.db2.gz SDVHNQHHZODNSR-XMMPIXPASA-N 1 0 487.622 2.673 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Nc2cccc(C)c2)CC1 ZINC000009126590 554920492 /nfs/dbraw/zinc/92/04/92/554920492.db2.gz LEVRRSFEMTUPSA-UHFFFAOYSA-N 1 0 487.626 2.802 50 0 JFAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OCc1ccccc1 ZINC000009194402 554968028 /nfs/dbraw/zinc/96/80/28/554968028.db2.gz LNNQESGMWWIQPB-UHFFFAOYSA-N 1 0 490.358 2.912 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c2c1 ZINC000009223291 554993481 /nfs/dbraw/zinc/99/34/81/554993481.db2.gz NZJVDVHLGJAIDH-UHFFFAOYSA-N 1 0 497.621 2.563 50 0 JFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009225999 554998616 /nfs/dbraw/zinc/99/86/16/554998616.db2.gz GPQXBQKKXSQFKY-LJQANCHMSA-N 1 0 457.575 2.566 50 0 JFAARO CCOc1ccc(NC(=[NH2+])Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000009245403 555021476 /nfs/dbraw/zinc/02/14/76/555021476.db2.gz BAEDIIOYMWFLSE-UHFFFAOYSA-N 1 0 463.527 2.895 50 0 JFAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)nc(C)n3n2)cc1 ZINC000009287472 555060980 /nfs/dbraw/zinc/06/09/80/555060980.db2.gz BZVHERJNJXGFHV-KDURUIRLSA-N 1 0 464.614 2.913 50 0 JFAARO O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009406259 555166281 /nfs/dbraw/zinc/16/62/81/555166281.db2.gz LSSTYGOZQHUAFZ-UHFFFAOYSA-N 1 0 479.531 2.861 50 0 JFAARO CC[NH+](CC)CCCNC(=O)c1sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c2c1C ZINC000009501296 555285720 /nfs/dbraw/zinc/28/57/20/555285720.db2.gz PBWGWXQDXHFMOZ-CALCHBBNSA-N 1 0 475.659 2.733 50 0 JFAARO CC(C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530040 555324596 /nfs/dbraw/zinc/32/45/96/555324596.db2.gz JOZMPOMLHIMARO-RTWAWAEBSA-N 1 0 490.651 2.529 50 0 JFAARO Cc1cccc(Cn2c(N3CC[NH+](CCCc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009714241 555442803 /nfs/dbraw/zinc/44/28/03/555442803.db2.gz JEDJQWSPRBRPBO-UHFFFAOYSA-N 1 0 472.593 2.535 50 0 JFAARO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000009714461 555443463 /nfs/dbraw/zinc/44/34/63/555443463.db2.gz GWYDBEKYXLQVKC-UHFFFAOYSA-N 1 0 479.412 2.947 50 0 JFAARO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000009714541 555443891 /nfs/dbraw/zinc/44/38/91/555443891.db2.gz MBNMDNHXTASZFM-UHFFFAOYSA-N 1 0 460.582 2.793 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2)CC1 ZINC000009717100 555451107 /nfs/dbraw/zinc/45/11/07/555451107.db2.gz HWDNXKUDGRCXOI-UHFFFAOYSA-N 1 0 454.552 2.762 50 0 JFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000013541182 555489315 /nfs/dbraw/zinc/48/93/15/555489315.db2.gz XRKRKVXSSIRFFM-IQXSCUCBSA-N 1 0 487.487 2.708 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013573180 555511810 /nfs/dbraw/zinc/51/18/10/555511810.db2.gz QSTHZYIDJKOOMJ-XVOHXHPPSA-N 1 0 498.377 2.916 50 0 JFAARO COc1ccccc1[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)[NH+]1CCCC1 ZINC000009798784 555515450 /nfs/dbraw/zinc/51/54/50/555515450.db2.gz FFVGOMFLJFFBRH-HSZRJFAPSA-N 1 0 487.622 2.591 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2nc3ccccc3c3nc(-c4cccnc4)nn32)CC1 ZINC000009831075 555532659 /nfs/dbraw/zinc/53/26/59/555532659.db2.gz BKMFZPQWLBZYCD-UHFFFAOYSA-N 1 0 456.554 2.650 50 0 JFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)c1 ZINC000013609435 555532896 /nfs/dbraw/zinc/53/28/96/555532896.db2.gz OGUNXSMESNSKAI-VZXQIFKDSA-N 1 0 459.930 2.811 50 0 JFAARO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC1CCCCC1 ZINC000019922712 555539912 /nfs/dbraw/zinc/53/99/12/555539912.db2.gz MCMTYZQADDDZAF-UHFFFAOYSA-N 1 0 475.611 2.503 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=S)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 ZINC000020105294 555638658 /nfs/dbraw/zinc/63/86/58/555638658.db2.gz QRETZRRAZNOTTJ-UHFFFAOYSA-N 1 0 456.660 2.827 50 0 JFAARO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCC(=O)NCC[NH+](C)C ZINC000013896501 555643674 /nfs/dbraw/zinc/64/36/74/555643674.db2.gz PPQKQXWMUFXNBI-UHFFFAOYSA-N 1 0 456.543 2.743 50 0 JFAARO Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014021204 555672930 /nfs/dbraw/zinc/67/29/30/555672930.db2.gz VZLDRHVKPARGRA-HXUWFJFHSA-N 1 0 450.568 2.550 50 0 JFAARO CCOC(=O)N1CCN(C(=S)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)CC1 ZINC000020153750 555672940 /nfs/dbraw/zinc/67/29/40/555672940.db2.gz DSTKHHJELJNDIH-UHFFFAOYSA-N 1 0 456.616 2.766 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000014141751 555706982 /nfs/dbraw/zinc/70/69/82/555706982.db2.gz VZNHBKJYNRTQGK-UHFFFAOYSA-N 1 0 477.671 2.945 50 0 JFAARO COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)[nH]c3c2cc1OC ZINC000020234136 555725577 /nfs/dbraw/zinc/72/55/77/555725577.db2.gz POUNQTAAWGSXBE-GOSISDBHSA-N 1 0 499.637 2.629 50 0 JFAARO CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000011035011 555755550 /nfs/dbraw/zinc/75/55/50/555755550.db2.gz SICDWQOBDLPNSI-UHFFFAOYSA-N 1 0 451.539 2.708 50 0 JFAARO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000014329397 555795043 /nfs/dbraw/zinc/79/50/43/555795043.db2.gz FVQJPYLHUZOYOK-FQEVSTJZSA-N 1 0 455.507 2.579 50 0 JFAARO Cc1ccccc1C[C@@]1(C2CCN(C(=O)C3(C)CC3)CC2)NC(=O)N(CCC[NH+](C)C)C1=O ZINC000011783473 555814519 /nfs/dbraw/zinc/81/45/19/555814519.db2.gz BYPBAAWCPQXACN-SANMLTNESA-N 1 0 454.615 2.819 50 0 JFAARO Cc1ccccc1C[C@]1(C2CCN(C(=O)C3(C)CC3)CC2)NC(=O)N(CCC[NH+](C)C)C1=O ZINC000011783474 555814529 /nfs/dbraw/zinc/81/45/29/555814529.db2.gz BYPBAAWCPQXACN-AREMUKBSSA-N 1 0 454.615 2.819 50 0 JFAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000011786036 555818956 /nfs/dbraw/zinc/81/89/56/555818956.db2.gz IZXZTGMTSDPFMU-RLWLMLJZSA-N 1 0 495.649 2.856 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(OC)c(OC)c1)CC2 ZINC000014532489 555820265 /nfs/dbraw/zinc/82/02/65/555820265.db2.gz FDWORYVWNZICNB-UHFFFAOYSA-N 1 0 468.554 2.544 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020566629 555820475 /nfs/dbraw/zinc/82/04/75/555820475.db2.gz FUUWESJRHWQYMX-MTXNFPGFSA-N 1 0 453.926 2.809 50 0 JFAARO COc1cc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)cc(OC)c1OC ZINC000014534595 555823310 /nfs/dbraw/zinc/82/33/10/555823310.db2.gz BBXUWZRKDOHUMP-KRWDZBQOSA-N 1 0 468.554 2.958 50 0 JFAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014536017 555825068 /nfs/dbraw/zinc/82/50/68/555825068.db2.gz QYWGZVDHMMYREA-UHFFFAOYSA-N 1 0 494.592 2.873 50 0 JFAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+][C@@H](C)c4cn(C)nc4C)CC3)cc2)CC1 ZINC000011790512 555826298 /nfs/dbraw/zinc/82/62/98/555826298.db2.gz NUFGZPWQEUULJP-IBGZPJMESA-N 1 0 482.629 2.962 50 0 JFAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1 ZINC000011791350 555827855 /nfs/dbraw/zinc/82/78/55/555827855.db2.gz QWBSNWSNLIUQIR-UHFFFAOYSA-N 1 0 478.593 2.916 50 0 JFAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc4cccnc4c3)CC2)C1=O ZINC000014539237 555828936 /nfs/dbraw/zinc/82/89/36/555828936.db2.gz ZGALPSABXVZFHD-UHFFFAOYSA-N 1 0 471.561 2.562 50 0 JFAARO C[NH+]1CCN(c2ccccc2NC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000020574376 555829189 /nfs/dbraw/zinc/82/91/89/555829189.db2.gz DDFWPRDEJGBIJF-UHFFFAOYSA-N 1 0 462.485 2.581 50 0 JFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](CC(C)C)C2)nn1 ZINC000011813791 555829237 /nfs/dbraw/zinc/82/92/37/555829237.db2.gz RSCJQTHBSXLWQK-AEFFLSMTSA-N 1 0 453.465 2.671 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(OC)c1C ZINC000020599372 555840908 /nfs/dbraw/zinc/84/09/08/555840908.db2.gz OTLITQJOQKSJGJ-QGZVFWFLSA-N 1 0 450.543 2.548 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000015001734 555846494 /nfs/dbraw/zinc/84/64/94/555846494.db2.gz COIZYSIZNHSIHC-KRWDZBQOSA-N 1 0 460.550 2.716 50 0 JFAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@H](c1ccncc1)N1CCOCC1 ZINC000015001754 555846562 /nfs/dbraw/zinc/84/65/62/555846562.db2.gz CLDAADIEVUILHZ-LADGPHEKSA-N 1 0 456.562 2.644 50 0 JFAARO Cc1ccccc1N1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000011913534 555863510 /nfs/dbraw/zinc/86/35/10/555863510.db2.gz DLHZQSCAZNGFGY-MUUNZHRXSA-N 1 0 476.621 2.601 50 0 JFAARO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000015070546 555870127 /nfs/dbraw/zinc/87/01/27/555870127.db2.gz UMYDJGDALXVCBL-HXUWFJFHSA-N 1 0 462.554 2.977 50 0 JFAARO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000011967270 555872633 /nfs/dbraw/zinc/87/26/33/555872633.db2.gz MGIFWPLUSYHJLL-MRXNPFEDSA-N 1 0 464.536 2.874 50 0 JFAARO COc1cccc(-n2c(CNC(=O)c3ccc(OC)c(OC)c3)nnc2SCC[NH+](C)C)c1 ZINC000011971060 555873931 /nfs/dbraw/zinc/87/39/31/555873931.db2.gz BDOMMFZQUKITAV-UHFFFAOYSA-N 1 0 471.583 2.877 50 0 JFAARO C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CCc3ccccc3C2)(c2ccccc2Cl)C1=O ZINC000012037292 555890346 /nfs/dbraw/zinc/89/03/46/555890346.db2.gz KJHBQMAUVMRGGC-VWLOTQADSA-N 1 0 453.970 2.873 50 0 JFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000015240419 555890388 /nfs/dbraw/zinc/89/03/88/555890388.db2.gz NJOVNBSOIMLIGF-PKOBYXMFSA-N 1 0 464.551 2.626 50 0 JFAARO Cc1sc2nc(CN3CC[NH+](CCCCN4C(=O)c5ccccc5C4=O)CC3)[nH]c(=O)c2c1C ZINC000022248316 555899005 /nfs/dbraw/zinc/89/90/05/555899005.db2.gz NIGUGANRUFTNDY-UHFFFAOYSA-N 1 0 479.606 2.795 50 0 JFAARO COCCCN1C(=O)C[C@](CC(=O)N(C)CC[C@H](C)[NH+]2CCCC2)(c2ccccc2C)C1=O ZINC000012128164 555910632 /nfs/dbraw/zinc/91/06/32/555910632.db2.gz RSBDKHYYAGBRGC-HFZDXXHNSA-N 1 0 457.615 2.751 50 0 JFAARO CN(C[C@H]1Cc2ccccc2O1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012160284 555930661 /nfs/dbraw/zinc/93/06/61/555930661.db2.gz HCACUYDPWHJUFQ-BCHFMIIMSA-N 1 0 483.996 2.751 50 0 JFAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000015677829 555941798 /nfs/dbraw/zinc/94/17/98/555941798.db2.gz VUQNUZLLUQGMQB-VWLOTQADSA-N 1 0 490.714 2.890 50 0 JFAARO O=C(c1ccc(N2CCC([NH2+]CCc3nc(-c4ccccc4)n[nH]3)CC2)cc1)N1CCOCC1 ZINC000012210984 555943097 /nfs/dbraw/zinc/94/30/97/555943097.db2.gz IZWMSXNSCLVAGL-UHFFFAOYSA-N 1 0 460.582 2.745 50 0 JFAARO COc1cccc(-n2c(CNC(=O)c3ccc4c(c3)OCO4)nnc2SCC[NH+](C)C)c1 ZINC000012242948 555946108 /nfs/dbraw/zinc/94/61/08/555946108.db2.gz JFVVAMUFSDQTCZ-UHFFFAOYSA-N 1 0 455.540 2.588 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724300 555959867 /nfs/dbraw/zinc/95/98/67/555959867.db2.gz VOPQZZSWNNAPAX-UHFFFAOYSA-N 1 0 490.583 2.901 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCCC[NH+]4CCCCC4)C3)n2)cc1OC ZINC000015726233 555964014 /nfs/dbraw/zinc/96/40/14/555964014.db2.gz WTDULEZFZRZEAH-FQEVSTJZSA-N 1 0 471.602 2.958 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCCC[NH+]4CCCCC4)C3)n2)cc1OC ZINC000015726231 555964045 /nfs/dbraw/zinc/96/40/45/555964045.db2.gz WTDULEZFZRZEAH-HXUWFJFHSA-N 1 0 471.602 2.958 50 0 JFAARO CC1=C(C(=O)NCCC[N@H+]2CCCC[C@H]2C)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731403 555974746 /nfs/dbraw/zinc/97/47/46/555974746.db2.gz RTOSZQZKNHFWLX-QGZVFWFLSA-N 1 0 495.667 2.525 50 0 biogenic JFAARO COc1ccc(-c2c(C)oc3cc(OCCN4CC[NH+](CCO)CC4)ccc3c2=O)cc1OC ZINC000022933382 555985987 /nfs/dbraw/zinc/98/59/87/555985987.db2.gz FHILEGNIRSHDCS-UHFFFAOYSA-N 1 0 468.550 2.774 50 0 biogenic JFAARO CC[NH+]1CCN(CCCNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)CC1 ZINC000022937433 555990525 /nfs/dbraw/zinc/99/05/25/555990525.db2.gz NJEISNCUBACNMA-UHFFFAOYSA-N 1 0 460.644 2.937 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)N2C(C)=O ZINC000015776025 555995637 /nfs/dbraw/zinc/99/56/37/555995637.db2.gz YJFWWTNZDJFXSL-XMMPIXPASA-N 1 0 492.686 2.766 50 0 JFAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)CC1 ZINC000015786777 556006404 /nfs/dbraw/zinc/00/64/04/556006404.db2.gz KUASQWQBWZHILA-UHFFFAOYSA-N 1 0 468.579 2.994 50 0 JFAARO CSCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N1C(=O)c2ccccc2C1=O ZINC000023134585 556020301 /nfs/dbraw/zinc/02/03/01/556020301.db2.gz JPUDQSNZABNXSK-NRFANRHFSA-N 1 0 452.580 2.795 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181144 556027593 /nfs/dbraw/zinc/02/75/93/556027593.db2.gz PFJUEFXXEAORDF-ZJSXRUAMSA-N 1 0 485.698 2.570 50 0 JFAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012552523 556035648 /nfs/dbraw/zinc/03/56/48/556035648.db2.gz HUJGIVWSNOCAQH-UHFFFAOYSA-N 1 0 459.568 2.864 50 0 JFAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1Cl ZINC000015862684 556035780 /nfs/dbraw/zinc/03/57/80/556035780.db2.gz MQTBJGQOFZNTGT-GOSISDBHSA-N 1 0 480.030 2.965 50 0 JFAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCC1)C2 ZINC000023340030 556047547 /nfs/dbraw/zinc/04/75/47/556047547.db2.gz YYSLVBBKCDBLPX-QHCPKHFHSA-N 1 0 477.653 2.711 50 0 JFAARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)ccc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015958891 556090633 /nfs/dbraw/zinc/09/06/33/556090633.db2.gz IPEIOLOHOWPCEO-PNOLHXSVSA-N 1 0 461.518 2.697 50 0 biogenic JFAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CCSC)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959284 556090994 /nfs/dbraw/zinc/09/09/94/556090994.db2.gz OZPDLDAFYHUBIS-LMMUWCHVSA-N 1 0 463.603 2.965 50 0 biogenic JFAARO CCc1ccc2c(c1)[C@]1([NH2+][C@@H](CCSC)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959216 556091170 /nfs/dbraw/zinc/09/11/70/556091170.db2.gz QLIBMHACSRMFAV-IMIIHFCZSA-N 1 0 463.603 2.965 50 0 biogenic JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000016024585 556115315 /nfs/dbraw/zinc/11/53/15/556115315.db2.gz AEDJGYAMWXYUMV-JYEBCORGSA-N 1 0 497.979 2.976 50 0 JFAARO CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016025150 556116046 /nfs/dbraw/zinc/11/60/46/556116046.db2.gz QLMIIQZZDXGISD-GXNBUGAJSA-N 1 0 466.401 2.721 50 0 JFAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000012936322 556151045 /nfs/dbraw/zinc/15/10/45/556151045.db2.gz FWNUAGOHOSLYFS-IBGZPJMESA-N 1 0 472.636 2.862 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000024954930 556164996 /nfs/dbraw/zinc/16/49/96/556164996.db2.gz LZRHMLUVRIQNOA-UHFFFAOYSA-N 1 0 486.638 2.557 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012975551 556167855 /nfs/dbraw/zinc/16/78/55/556167855.db2.gz FFBXPIRGVPXEBS-UHFFFAOYSA-N 1 0 478.574 2.804 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000012994407 556186755 /nfs/dbraw/zinc/18/67/55/556186755.db2.gz VUBLDNSEXISHRD-BFDGSKQISA-N 1 0 458.559 2.667 50 0 JFAARO CCCC[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000017270341 556249099 /nfs/dbraw/zinc/24/90/99/556249099.db2.gz SWKHFQRICVGOMH-NRFANRHFSA-N 1 0 463.582 2.876 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000027678454 556304022 /nfs/dbraw/zinc/30/40/22/556304022.db2.gz LQMIWVNQVYXZHY-OAHLLOKOSA-N 1 0 465.519 2.734 50 0 JFAARO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000013116146 556323663 /nfs/dbraw/zinc/32/36/63/556323663.db2.gz HTENEVFQNOBRSK-UHFFFAOYSA-N 1 0 481.593 2.849 50 0 JFAARO CC(C)c1ccc(CC2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000019703217 556360591 /nfs/dbraw/zinc/36/05/91/556360591.db2.gz PLMGNFGJYYANFF-IRLDBZIGSA-N 1 0 490.604 2.670 50 0 biogenic JFAARO COc1cc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C ZINC000019740368 556364032 /nfs/dbraw/zinc/36/40/32/556364032.db2.gz RFORGWZYTKTTPJ-UHFFFAOYSA-N 1 0 463.582 2.700 50 0 JFAARO CN1CC[NH+](CCCCNC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000031151863 556392491 /nfs/dbraw/zinc/39/24/91/556392491.db2.gz CXAUBCZLGSOUHN-UHFFFAOYSA-N 1 0 462.948 2.613 50 0 JFAARO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000032931445 556546401 /nfs/dbraw/zinc/54/64/01/556546401.db2.gz IBLNARIJEJOYDV-MAUKXSAKSA-N 1 0 460.438 2.743 50 0 JFAARO CCc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1 ZINC000008706313 569594368 /nfs/dbraw/zinc/59/43/68/569594368.db2.gz VNXWPJHKJDGFKN-SFHVURJKSA-N 1 0 450.587 2.733 50 0 JFAARO Cc1c(C)n(-c2cccc(Cl)c2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000008708387 569595046 /nfs/dbraw/zinc/59/50/46/569595046.db2.gz JERPEAXTZNYQNG-UHFFFAOYSA-N 1 0 454.962 2.895 50 0 JFAARO O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057273722 569595276 /nfs/dbraw/zinc/59/52/76/569595276.db2.gz SDSZPMZVEJAGQZ-UHFFFAOYSA-N 1 0 489.601 2.686 50 0 JFAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000057273961 569595477 /nfs/dbraw/zinc/59/54/77/569595477.db2.gz GRSWYSOQWJLRHT-GOSISDBHSA-N 1 0 493.651 2.944 50 0 JFAARO CCOc1ccc([C@@H]2NC(=O)N=C(CN3CC[NH+](Cc4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415364 569600847 /nfs/dbraw/zinc/60/08/47/569600847.db2.gz BNFAZXUXJUKWGC-DEOSSOPVSA-N 1 0 464.566 2.684 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cccc(CC)c3NC2=O)cc1 ZINC000059485600 569605272 /nfs/dbraw/zinc/60/52/72/569605272.db2.gz DWZCDFFQIFCPHF-ZZWZOVRCSA-N 1 0 473.529 2.857 50 0 biogenic JFAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000060162232 569608527 /nfs/dbraw/zinc/60/85/27/569608527.db2.gz NOWQVHFJOCZEKT-PKTZIBPZSA-N 1 0 471.623 2.928 50 0 JFAARO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000060341408 569608774 /nfs/dbraw/zinc/60/87/74/569608774.db2.gz AGDWHEYXCBTBDZ-OAQYLSRUSA-N 1 0 475.597 2.774 50 0 JFAARO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000060341407 569608842 /nfs/dbraw/zinc/60/88/42/569608842.db2.gz AGDWHEYXCBTBDZ-NRFANRHFSA-N 1 0 475.597 2.774 50 0 JFAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000062580990 569611836 /nfs/dbraw/zinc/61/18/36/569611836.db2.gz QRWUAZHHASUAMF-UHFFFAOYSA-N 1 0 474.652 2.978 50 0 JFAARO CC[C@@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000062587411 569612018 /nfs/dbraw/zinc/61/20/18/569612018.db2.gz AQOSOEDMTQGDOI-UEMNXXGQSA-N 1 0 489.682 2.908 50 0 JFAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613439 569612981 /nfs/dbraw/zinc/61/29/81/569612981.db2.gz CENZDJFXGCBZDC-IRXDYDNUSA-N 1 0 487.066 2.936 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc(C)c3=O)cc2)CC1 ZINC000033006099 569614579 /nfs/dbraw/zinc/61/45/79/569614579.db2.gz FCKMOKIYSBKJQS-UHFFFAOYSA-N 1 0 461.610 2.737 50 0 JFAARO Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NCCC[NH+]1CCCCCC1)C2 ZINC000064565638 569619240 /nfs/dbraw/zinc/61/92/40/569619240.db2.gz QLXUIDIWYPXWMD-UHFFFAOYSA-N 1 0 494.640 2.720 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC000033024542 569620020 /nfs/dbraw/zinc/62/00/20/569620020.db2.gz YNPKSEXXOWNIES-GOSISDBHSA-N 1 0 498.653 2.942 50 0 JFAARO COc1cc(OC)c(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000033326807 569623885 /nfs/dbraw/zinc/62/38/85/569623885.db2.gz ALPLEOZZOCTKLI-UHFFFAOYSA-N 1 0 476.965 2.646 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)CC1 ZINC000033332048 569624642 /nfs/dbraw/zinc/62/46/42/569624642.db2.gz OCDXLSIIZBMYTN-UHFFFAOYSA-N 1 0 488.430 2.551 50 0 JFAARO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839617 569637320 /nfs/dbraw/zinc/63/73/20/569637320.db2.gz NRJQQRAIFHWRIC-FQEVSTJZSA-N 1 0 472.593 2.778 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)CC1 ZINC000064872721 569640747 /nfs/dbraw/zinc/64/07/47/569640747.db2.gz YGQRVOZSCISUAW-UHFFFAOYSA-N 1 0 450.631 2.812 50 0 JFAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 ZINC000034677808 569642169 /nfs/dbraw/zinc/64/21/69/569642169.db2.gz CGIFWYPVCDHEHM-QHCPKHFHSA-N 1 0 483.657 2.868 50 0 JFAARO Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000064891526 569643925 /nfs/dbraw/zinc/64/39/25/569643925.db2.gz HYXZBABXEVPOFY-UHFFFAOYSA-N 1 0 451.571 2.671 50 0 JFAARO COc1ccc(Cl)cc1N1CCN(Cc2nc(C(=O)NCC[NH+]3CCCCC3)co2)CC1 ZINC000034682358 569643952 /nfs/dbraw/zinc/64/39/52/569643952.db2.gz UXOAQSQEMFLYLV-UHFFFAOYSA-N 1 0 461.994 2.875 50 0 JFAARO CCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)CC1 ZINC000065022244 569648815 /nfs/dbraw/zinc/64/88/15/569648815.db2.gz INXLTUAKAOBGRA-UHFFFAOYSA-N 1 0 494.683 2.599 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)CC1 ZINC000065023213 569649823 /nfs/dbraw/zinc/64/98/23/569649823.db2.gz BAHHVZKGEIXGKL-NRFANRHFSA-N 1 0 454.594 2.643 50 0 JFAARO CCCN(CCC)C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025115 569650267 /nfs/dbraw/zinc/65/02/67/569650267.db2.gz CIZQXVSHWUDJJB-UHFFFAOYSA-N 1 0 463.579 2.693 50 0 JFAARO O=C(NCCCc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025144 569650272 /nfs/dbraw/zinc/65/02/72/569650272.db2.gz FCRSYWKDUTXSGA-UHFFFAOYSA-N 1 0 479.606 2.655 50 0 JFAARO Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@@H]3C)c2)c1 ZINC000065025194 569650355 /nfs/dbraw/zinc/65/03/55/569650355.db2.gz WLHIJCPQCUAGPK-IBGZPJMESA-N 1 0 471.627 2.923 50 0 JFAARO CCn1c(=O)n(CC(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057035 569654366 /nfs/dbraw/zinc/65/43/66/569654366.db2.gz HPZIHKZVUAPEFV-UHFFFAOYSA-N 1 0 499.015 2.676 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1 ZINC000065117532 569667135 /nfs/dbraw/zinc/66/71/35/569667135.db2.gz TXLNBFRFFCVJLM-UHFFFAOYSA-N 1 0 472.542 2.620 50 0 JFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314159 569672298 /nfs/dbraw/zinc/67/22/98/569672298.db2.gz XDZWGIRTCXLAPD-VWLOTQADSA-N 1 0 471.605 2.683 50 0 JFAARO COc1cc(OC)c(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1Cl ZINC000065363660 569675269 /nfs/dbraw/zinc/67/52/69/569675269.db2.gz JIIAFHBNPOQEQE-UHFFFAOYSA-N 1 0 476.965 2.646 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287119 569684304 /nfs/dbraw/zinc/68/43/04/569684304.db2.gz BCDGRQFGSXUQIQ-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287486 569684486 /nfs/dbraw/zinc/68/44/86/569684486.db2.gz LNPVGFNDIDXQGQ-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C(C)C)cc1 ZINC000070036788 569695160 /nfs/dbraw/zinc/69/51/60/569695160.db2.gz IZKAJIHNIDJEGO-OFNKIYASSA-N 1 0 465.660 2.969 50 0 JFAARO Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C[NH+]3CCCCC3)cc1)OCC(=O)N2 ZINC000035452170 569697113 /nfs/dbraw/zinc/69/71/13/569697113.db2.gz YFGSDDHLXLDYNM-UHFFFAOYSA-N 1 0 486.594 2.571 50 0 JFAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCCC3)n2Cc2ccncc2)c1 ZINC000035509533 569697847 /nfs/dbraw/zinc/69/78/47/569697847.db2.gz XPQCXFHTCDVWET-UHFFFAOYSA-N 1 0 469.611 2.551 50 0 JFAARO CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000083989710 569708851 /nfs/dbraw/zinc/70/88/51/569708851.db2.gz IZFCCPYPIQNGAI-UHFFFAOYSA-N 1 0 462.579 2.537 50 0 JFAARO CSc1nn2c(nc(C)c(CCC(=O)N(C)CC[NH+](C)C)c2C)c1S(=O)(=O)c1ccccc1 ZINC000085393568 569710044 /nfs/dbraw/zinc/71/00/44/569710044.db2.gz PDQBGVDXAQHFMG-UHFFFAOYSA-N 1 0 489.667 2.853 50 0 JFAARO Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000085620501 569711259 /nfs/dbraw/zinc/71/12/59/569711259.db2.gz BLVDBUYIZXUDDM-QFIPXVFZSA-N 1 0 451.615 2.812 50 0 JFAARO C[C@H](CNC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000089901032 569720293 /nfs/dbraw/zinc/72/02/93/569720293.db2.gz NZBUKIULPNHPQM-LJQANCHMSA-N 1 0 471.568 2.628 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(C)C)[NH2+][C@]32c3ccccc3NC2=O)cc1OC ZINC000095346219 569722465 /nfs/dbraw/zinc/72/24/65/569722465.db2.gz WERCRISNVZOEAQ-YRCDICCDSA-N 1 0 477.561 2.713 50 0 JFAARO COc1cc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)ccc1OCC(=O)N1CCCC1 ZINC000095373586 569722860 /nfs/dbraw/zinc/72/28/60/569722860.db2.gz GGQAKZUMIASPQC-QGZVFWFLSA-N 1 0 461.584 2.919 50 0 JFAARO O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908064 569723884 /nfs/dbraw/zinc/72/38/84/569723884.db2.gz HHKVYXMKMZHDRG-FYYLOGMGSA-N 1 0 480.575 2.759 50 0 JFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCCN1CCOCC1)C2 ZINC000035911153 569726372 /nfs/dbraw/zinc/72/63/72/569726372.db2.gz ZSHBRYUNOYOXHG-XNMGPUDCSA-N 1 0 496.627 2.536 50 0 JFAARO C[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000095698508 569728622 /nfs/dbraw/zinc/72/86/22/569728622.db2.gz IINYQWGVMANIJV-INIZCTEOSA-N 1 0 452.024 2.866 50 0 JFAARO COCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000036013682 569748715 /nfs/dbraw/zinc/74/87/15/569748715.db2.gz IGHIJFJFORTEBD-UHFFFAOYSA-N 1 0 457.358 2.805 50 0 JFAARO C[NH+](C)CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21 ZINC000037275326 569782077 /nfs/dbraw/zinc/78/20/77/569782077.db2.gz GMFYQQJSYXENPN-UHFFFAOYSA-N 1 0 473.957 2.785 50 0 JFAARO COCC[NH+]1CCN(c2nc3nn(-c4ccccc4)c(N)c3c(-c3cccc(OC)c3)n2)CC1 ZINC000037360610 569784021 /nfs/dbraw/zinc/78/40/21/569784021.db2.gz CAHFUUXMXWPGHR-UHFFFAOYSA-N 1 0 459.554 2.842 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(F)c(F)c3)cc21 ZINC000037510788 569791388 /nfs/dbraw/zinc/79/13/88/569791388.db2.gz YLOYCUSECQMCEG-INIZCTEOSA-N 1 0 489.519 2.798 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(OC)cc3)cc21 ZINC000037511401 569791572 /nfs/dbraw/zinc/79/15/72/569791572.db2.gz OLNGSMVJJLJBJI-SFHVURJKSA-N 1 0 483.565 2.529 50 0 JFAARO CC[NH+](CC)CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3Cl)cc21 ZINC000037512630 569792322 /nfs/dbraw/zinc/79/23/22/569792322.db2.gz WVKZWTKMQVDOIP-UHFFFAOYSA-N 1 0 491.947 2.924 50 0 JFAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450415 569828333 /nfs/dbraw/zinc/82/83/33/569828333.db2.gz DNARRFYOUSGHAC-UHFFFAOYSA-N 1 0 458.422 2.758 50 0 JFAARO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450546 569828694 /nfs/dbraw/zinc/82/86/94/569828694.db2.gz AGDGOXIGKRQDMW-AWEZNQCLSA-N 1 0 470.433 2.901 50 0 JFAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5N(C)C4=O)[C@H]3C2=O)cc1 ZINC000103006222 569831543 /nfs/dbraw/zinc/83/15/43/569831543.db2.gz NSMSESWCYLWENI-XSWHYFMGSA-N 1 0 460.534 2.640 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000106615795 569854409 /nfs/dbraw/zinc/85/44/09/569854409.db2.gz CQYYRDHSQVXCHO-UTKZUKDTSA-N 1 0 459.543 2.532 50 0 JFAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000230067032 570044283 /nfs/dbraw/zinc/04/42/83/570044283.db2.gz FMGVVSBXTFKUNG-YDLHNXBPSA-N 1 0 465.893 2.697 50 0 JFAARO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Br)cc54)[C@H]3C2=O)cc1 ZINC000245313039 570063882 /nfs/dbraw/zinc/06/38/82/570063882.db2.gz ZCKINYWZIMYPQQ-RTXPOLOASA-N 1 0 482.334 2.889 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000245342977 570067120 /nfs/dbraw/zinc/06/71/20/570067120.db2.gz AQEKSTLGBKNJNN-GXRSIYKFSA-N 1 0 456.697 2.692 50 0 JFAARO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000247860103 570070217 /nfs/dbraw/zinc/07/02/17/570070217.db2.gz ZSSMDIFBPOICDY-ZCGKIOINSA-N 1 0 479.920 2.851 50 0 JFAARO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000248154869 570075697 /nfs/dbraw/zinc/07/56/97/570075697.db2.gz IBLNARIJEJOYDV-QAPCUYQASA-N 1 0 460.438 2.743 50 0 JFAARO O=C(c1cnn2c1OCCC2)N1CCC([NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000252492504 570082011 /nfs/dbraw/zinc/08/20/11/570082011.db2.gz MODJPECFNZFYPE-UHFFFAOYSA-N 1 0 464.492 2.506 50 0 JFAARO O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252548516 570083324 /nfs/dbraw/zinc/08/33/24/570083324.db2.gz PZDJQUNSZMDEKQ-COPCDDAFSA-N 1 0 451.571 2.606 50 0 JFAARO COc1ccc([C@H]2[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397631 570096137 /nfs/dbraw/zinc/09/61/37/570096137.db2.gz BOIAYPLNLVSAMI-UYZIEWPDSA-N 1 0 459.587 2.613 50 0 biogenic JFAARO COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000253412855 570098095 /nfs/dbraw/zinc/09/80/95/570098095.db2.gz SGKZWJVNABJJHL-ILWGZMRPSA-N 1 0 456.587 2.619 50 0 biogenic JFAARO COc1ccc2cnn(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c(=O)c2c1OC ZINC000257199226 570107585 /nfs/dbraw/zinc/10/75/85/570107585.db2.gz WXVGQKSLOIXHMC-UWHHFBIGSA-N 1 0 478.593 2.835 50 0 biogenic JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000263586139 570171576 /nfs/dbraw/zinc/17/15/76/570171576.db2.gz QOEFAUQEHOMKAN-LVVCFHABSA-N 1 0 457.615 2.954 50 0 biogenic JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000263586142 570171616 /nfs/dbraw/zinc/17/16/16/570171616.db2.gz QOOGLEOCYAKGAI-TUNNFDKTSA-N 1 0 473.614 2.796 50 0 biogenic JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000263586137 570171619 /nfs/dbraw/zinc/17/16/19/570171619.db2.gz QOEFAUQEHOMKAN-FDHFVPJWSA-N 1 0 457.615 2.954 50 0 biogenic JFAARO CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761943 570174750 /nfs/dbraw/zinc/17/47/50/570174750.db2.gz CEOAZTLXFCEMBS-NSOVKSMOSA-N 1 0 474.605 2.921 50 0 JFAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCCC[C@@H]([NH3+])C(=O)[O-])c(=O)cc21 ZINC000002944417 194175890 /nfs/dbraw/zinc/17/58/90/194175890.db2.gz NLMIJLDWRRXDGR-MOPGFXCFSA-N 1 0 485.581 2.940 50 0 biogenic JFAARO C[NH+](C)CCCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003670624 194358520 /nfs/dbraw/zinc/35/85/20/194358520.db2.gz VCQANUNQMQISCZ-FQEVSTJZSA-N 1 0 483.313 2.992 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[NH+]2CCCCC2)cc1 ZINC000004162290 194381695 /nfs/dbraw/zinc/38/16/95/194381695.db2.gz JKRVDUIIWYSDFY-DEOSSOPVSA-N 1 0 487.622 2.673 50 0 JFAARO CCn1cc(C(=O)NCCC[NH+](CC)CC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000008596864 194464605 /nfs/dbraw/zinc/46/46/05/194464605.db2.gz JIKPYSBKWDDCQJ-UHFFFAOYSA-N 1 0 490.670 2.904 50 0 JFAARO Cn1c2nc(NC[C@@H]3CCC[C@H](C[NH3+])C3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009191446 194586744 /nfs/dbraw/zinc/58/67/44/194586744.db2.gz XPTRYQLYDHVHAQ-UONOGXRCSA-N 1 0 479.412 2.966 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](CC)CC)c3c2CCC3)cc1 ZINC000009745559 194939020 /nfs/dbraw/zinc/93/90/20/194939020.db2.gz YWSUISUNGSTBLD-UHFFFAOYSA-N 1 0 472.611 2.981 50 0 JFAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc1=O)CCC2 ZINC000009746103 194939412 /nfs/dbraw/zinc/93/94/12/194939412.db2.gz UURYUCIWFGMIDL-UHFFFAOYSA-N 1 0 472.611 2.966 50 0 JFAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009909887 195020869 /nfs/dbraw/zinc/02/08/69/195020869.db2.gz HNZFWPWCUVIMJL-UHFFFAOYSA-N 1 0 487.622 2.632 50 0 JFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009933859 195025923 /nfs/dbraw/zinc/02/59/23/195025923.db2.gz JTZRDJUSYYTOPC-JOCHJYFZSA-N 1 0 451.523 2.620 50 0 JFAARO Cc1ccc(-n2c(SCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2N2CCOCC2)cc1 ZINC000012633867 195065573 /nfs/dbraw/zinc/06/55/73/195065573.db2.gz KGWDKTXHJXNONW-JOCHJYFZSA-N 1 0 492.649 2.895 50 0 JFAARO CCN(Cc1ccc2c(c1)OCO2)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012690159 195087988 /nfs/dbraw/zinc/08/79/88/195087988.db2.gz IVVMZTNEIVUBQM-UHFFFAOYSA-N 1 0 467.522 2.843 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)[NH+]2CCCC2)cc1 ZINC000012752695 195106767 /nfs/dbraw/zinc/10/67/67/195106767.db2.gz VZGIHTJUZPLNOU-CJFMBICVSA-N 1 0 482.606 2.952 50 0 JFAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)Cc2ccco2)cc1 ZINC000012791653 195132382 /nfs/dbraw/zinc/13/23/82/195132382.db2.gz VGCFNMLBOWJCLI-UHFFFAOYSA-N 1 0 454.552 2.523 50 0 JFAARO COc1cc2oc(=O)c(CC(=O)NCC3([NH+]4CCN(C)CC4)CCCCC3)c(C)c2cc1OC ZINC000020677973 195203005 /nfs/dbraw/zinc/20/30/05/195203005.db2.gz DMOVWNRZHFQCSR-UHFFFAOYSA-N 1 0 471.598 2.728 50 0 JFAARO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000020781461 195224579 /nfs/dbraw/zinc/22/45/79/195224579.db2.gz GMTQJDGOYGIIQS-UHFFFAOYSA-N 1 0 475.545 2.645 50 0 JFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc4cccnc4c2)CC3)cc1 ZINC000020785776 195225372 /nfs/dbraw/zinc/22/53/72/195225372.db2.gz SLIXUDPMPBUSOO-UHFFFAOYSA-N 1 0 456.550 2.866 50 0 JFAARO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN3CC[NH+](CC)CC3)CC2)c2cc(C)ccc2O1 ZINC000020902437 195241727 /nfs/dbraw/zinc/24/17/27/195241727.db2.gz AMYHVPGEOHPRQP-JOCHJYFZSA-N 1 0 471.646 2.558 50 0 JFAARO Cc1nn(CCCC(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000020866592 195234506 /nfs/dbraw/zinc/23/45/06/195234506.db2.gz FSQJCLOUEABBKZ-UHFFFAOYSA-N 1 0 482.629 2.787 50 0 JFAARO Cc1oc(-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000020935077 195252536 /nfs/dbraw/zinc/25/25/36/195252536.db2.gz WYFTWDVXNXSLBN-UHFFFAOYSA-N 1 0 496.633 2.991 50 0 JFAARO CC1CC[NH+](CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020995175 195263992 /nfs/dbraw/zinc/26/39/92/195263992.db2.gz NWJOXQXHZRRIQQ-HSZRJFAPSA-N 1 0 480.634 2.973 50 0 JFAARO C[C@H](CCNC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)[NH+]1CCCC1 ZINC000021110032 195277615 /nfs/dbraw/zinc/27/76/15/195277615.db2.gz YFVAXODBSQYRRF-CGKQSPDFSA-N 1 0 453.612 2.902 50 0 JFAARO C[NH+]1CCN(CCN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)CC1 ZINC000021526720 195305537 /nfs/dbraw/zinc/30/55/37/195305537.db2.gz NZEFDLTVMYTKJX-VWLOTQADSA-N 1 0 455.603 2.535 50 0 JFAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)cc1 ZINC000021534380 195310657 /nfs/dbraw/zinc/31/06/57/195310657.db2.gz UHVHVPUZXJPVLI-UHFFFAOYSA-N 1 0 450.004 2.915 50 0 JFAARO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000021534448 195310833 /nfs/dbraw/zinc/31/08/33/195310833.db2.gz PHULDNSSABSNJG-UHFFFAOYSA-N 1 0 480.428 2.770 50 0 JFAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021794670 195321942 /nfs/dbraw/zinc/32/19/42/195321942.db2.gz LUNGYTYBPBTABI-UHFFFAOYSA-N 1 0 466.405 2.659 50 0 JFAARO CC[N@H+](CCCNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O)Cc1ccccc1 ZINC000021807956 195323966 /nfs/dbraw/zinc/32/39/66/195323966.db2.gz GYUJMZOUWCXXBV-UHFFFAOYSA-N 1 0 488.592 2.903 50 0 JFAARO CC[N@H+](CCCNC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)Cc1ccccc1 ZINC000021927216 195334714 /nfs/dbraw/zinc/33/47/14/195334714.db2.gz KOEFJEYGYOXIRW-LJQANCHMSA-N 1 0 456.616 2.662 50 0 JFAARO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)Cc1ccccc1 ZINC000021927209 195334724 /nfs/dbraw/zinc/33/47/24/195334724.db2.gz KOEFJEYGYOXIRW-IBGZPJMESA-N 1 0 456.616 2.662 50 0 JFAARO CN1c2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000021938644 195338041 /nfs/dbraw/zinc/33/80/41/195338041.db2.gz CERUCOQWVAPEBR-DEOSSOPVSA-N 1 0 461.610 2.964 50 0 JFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478332 195343587 /nfs/dbraw/zinc/34/35/87/195343587.db2.gz QWCILOHRBPUKTQ-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H]4CCC[N@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC000057992518 195361244 /nfs/dbraw/zinc/36/12/44/195361244.db2.gz YTTHKYZQONEUTJ-QHCPKHFHSA-N 1 0 460.582 2.996 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000058159494 195368322 /nfs/dbraw/zinc/36/83/22/195368322.db2.gz HLPMHYUGSMHSSS-LAUBAEHRSA-N 1 0 460.600 2.644 50 0 JFAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000059286675 195396756 /nfs/dbraw/zinc/39/67/56/195396756.db2.gz UWFHXOULNMTFNQ-BGYRXZFFSA-N 1 0 481.641 2.642 50 0 JFAARO CCC[NH+]1CCN(C(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)CC1 ZINC000021650393 519855657 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COc1ccc(C[NH+]2CCC(NC(=O)Cn3c(C)nc4ccc(F)cc4c3=O)CC2)cc1OC ZINC000095478747 524024284 /nfs/dbraw/zinc/02/42/84/524024284.db2.gz ZHKNKVCHTCRXCH-UHFFFAOYSA-N 1 0 468.529 2.642 50 0 JFAARO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NC1CC[NH+](Cc3ccccc3)CC1)C(=O)CS2 ZINC000045960745 524026008 /nfs/dbraw/zinc/02/60/08/524026008.db2.gz JMYPHHJOBKZZJZ-UHFFFAOYSA-N 1 0 466.607 2.608 50 0 JFAARO C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113955 524185606 /nfs/dbraw/zinc/18/56/06/524185606.db2.gz SUFHOTDPQGMECO-QGZVFWFLSA-N 1 0 460.022 2.673 50 0 JFAARO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1NS(C)(=O)=O ZINC000044980827 524320888 /nfs/dbraw/zinc/32/08/88/524320888.db2.gz PEGCCEUWMKWNBR-UHFFFAOYSA-N 1 0 465.641 2.926 50 0 JFAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000021880366 524347839 /nfs/dbraw/zinc/34/78/39/524347839.db2.gz NWMRXMOPNMHEAW-UHFFFAOYSA-N 1 0 468.627 2.820 50 0 JFAARO 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Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCCN3CCOCC3)C[N@H+](Cc3ccccc3)C2)cn1 ZINC000014750794 525440040 /nfs/dbraw/zinc/44/00/40/525440040.db2.gz MRXAPZXFMSVRIJ-LOSJGSFVSA-N 1 0 466.626 2.746 50 0 JFAARO COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@@](C)(C(=O)NC2CCCCC2)N(CC[NH+](C)C)C1=O ZINC000021866012 525602841 /nfs/dbraw/zinc/60/28/41/525602841.db2.gz PRESTDOPTRURQD-SANMLTNESA-N 1 0 483.613 2.833 50 0 JFAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCN2CC[NH+](C)CC2)C3=O)o1 ZINC000021811872 525618323 /nfs/dbraw/zinc/61/83/23/525618323.db2.gz RDHKHTCBCZIJIB-SANMLTNESA-N 1 0 469.630 2.844 50 0 JFAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCc2ccccc2)o1 ZINC000014744735 525681443 /nfs/dbraw/zinc/68/14/43/525681443.db2.gz OBSGCIVEYRQMJU-IBGZPJMESA-N 1 0 466.582 2.908 50 0 JFAARO Cc1ccc(-c2ccc(N3CC[NH+](C4CCCCC4)CC3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009420 525755298 /nfs/dbraw/zinc/75/52/98/525755298.db2.gz SNJBRQPXUWYIQB-UHFFFAOYSA-N 1 0 485.654 2.928 50 0 JFAARO Cc1ccoc1C(=O)N1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000012280168 525777953 /nfs/dbraw/zinc/77/79/53/525777953.db2.gz JNZCTGUKHCEMED-VWLOTQADSA-N 1 0 470.545 2.674 50 0 JFAARO COc1cccc(C(=O)N2CCC([C@]3(CCC(C)C)NC(=O)N(CC[NH+](C)C)C3=O)CC2)c1 ZINC000014986694 525798158 /nfs/dbraw/zinc/79/81/58/525798158.db2.gz OKFYDHAXDZKGGV-VWLOTQADSA-N 1 0 458.603 2.836 50 0 JFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCC[N@@H+]1CCc3ccccc3C1)c2=O ZINC000064970761 525936237 /nfs/dbraw/zinc/93/62/37/525936237.db2.gz LFDHKJREGKYLCR-UHFFFAOYSA-N 1 0 470.577 2.764 50 0 JFAARO Cc1c2cnn(CC(=O)NCCC[NH+]3CCCCC3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417564 525994054 /nfs/dbraw/zinc/99/40/54/525994054.db2.gz WWFRRIBVIHSIRA-UHFFFAOYSA-N 1 0 453.562 2.994 50 0 JFAARO COc1cccc(OCC(=O)c2ccc3c(c2)N([C@H](C)C(=O)NCC[NH+]2CCCCC2)C(=O)CO3)c1 ZINC000037511930 526229919 /nfs/dbraw/zinc/22/99/19/526229919.db2.gz UFOAZTXPUOPQRV-LJQANCHMSA-N 1 0 495.576 2.673 50 0 JFAARO COc1cccc(OC[C@H](O)CN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000014978560 526235599 /nfs/dbraw/zinc/23/55/99/526235599.db2.gz XOJJWKYVRAKRKD-ZWKOTPCHSA-N 1 0 476.957 2.988 50 0 JFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000033068600 526249196 /nfs/dbraw/zinc/24/91/96/526249196.db2.gz QBMYRBWMUCXFMR-SFHVURJKSA-N 1 0 468.985 2.856 50 0 JFAARO Cc1csc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014747070 526299682 /nfs/dbraw/zinc/29/96/82/526299682.db2.gz NVAXIRYZUKRCNQ-IBGZPJMESA-N 1 0 463.625 2.521 50 0 JFAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000077104333 526300840 /nfs/dbraw/zinc/30/08/40/526300840.db2.gz BPNMWKVPXCLKAS-UHFFFAOYSA-N 1 0 466.607 2.908 50 0 JFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2)[C@@H]1CCCO1 ZINC000014988135 526465529 /nfs/dbraw/zinc/46/55/29/526465529.db2.gz BEYLLMPSJNONTL-DEOSSOPVSA-N 1 0 457.578 2.745 50 0 JFAARO O=C(NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 ZINC000020485873 526579084 /nfs/dbraw/zinc/57/90/84/526579084.db2.gz HKHQZJNMOCYUSZ-XMMPIXPASA-N 1 0 461.541 2.835 50 0 JFAARO O=C(NCc1cccnc1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033815 526769170 /nfs/dbraw/zinc/76/91/70/526769170.db2.gz XVGKBAARZBXLMV-UHFFFAOYSA-N 1 0 485.997 2.875 50 0 JFAARO O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC000014994604 526822757 /nfs/dbraw/zinc/82/27/57/526822757.db2.gz UFNUYIPKNNARFQ-RUZDIDTESA-N 1 0 480.584 2.574 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000012469139 526849440 /nfs/dbraw/zinc/84/94/40/526849440.db2.gz MWACWQALSXXCQQ-QGZVFWFLSA-N 1 0 486.922 2.797 50 0 JFAARO O=C(COCc1ccccc1)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255003 526939739 /nfs/dbraw/zinc/93/97/39/526939739.db2.gz KOVLDJNLYMOUGO-AREMUKBSSA-N 1 0 470.658 2.508 50 0 JFAARO O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000033263591 527181887 /nfs/dbraw/zinc/18/18/87/527181887.db2.gz CQFROQXVVNFWPA-HNNXBMFYSA-N 1 0 491.017 2.508 50 0 JFAARO O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000033263371 527343410 /nfs/dbraw/zinc/34/34/10/527343410.db2.gz JWMVZSGJFITCAP-HNNXBMFYSA-N 1 0 491.017 2.508 50 0 JFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061256 527666938 /nfs/dbraw/zinc/66/69/38/527666938.db2.gz WSQAJOGKFHKFRJ-UHFFFAOYSA-N 1 0 456.616 2.861 50 0 JFAARO OCC[NH+](CCO)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626537 553714663 /nfs/dbraw/zinc/71/46/63/553714663.db2.gz QCHVBMYVHVSEJH-HNNXBMFYSA-N 1 0 486.204 2.967 50 0 JFAARO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](C)[C@@H](C)N2 ZINC000000719483 553771233 /nfs/dbraw/zinc/77/12/33/553771233.db2.gz ZQQNGICKLUGZCB-IAGOWNOFSA-O 1 0 461.546 2.962 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC(=O)CSc4nncn4C)cc3)cc2)CC1 ZINC000008774350 554673240 /nfs/dbraw/zinc/67/32/40/554673240.db2.gz ZIVSSXRHAHOILP-UHFFFAOYSA-N 1 0 479.610 2.940 50 0 JFAARO CCCC[N@H+](CC)CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008811295 554692350 /nfs/dbraw/zinc/69/23/50/554692350.db2.gz MTKUVGBNXFLAGW-UHFFFAOYSA-N 1 0 462.616 2.555 50 0 JFAARO COc1ccc(-n2nnnc2SCC(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000008867833 554761578 /nfs/dbraw/zinc/76/15/78/554761578.db2.gz MFOMDGQAIVKJQL-CTNGQTDRSA-N 1 0 450.568 2.906 50 0 JFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000008932152 554826326 /nfs/dbraw/zinc/82/63/26/554826326.db2.gz NJOVNBSOIMLIGF-MJGOQNOKSA-N 1 0 464.551 2.626 50 0 JFAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008944186 554833065 /nfs/dbraw/zinc/83/30/65/554833065.db2.gz KSUWGHTXFKYVMY-NZQKXSOJSA-N 1 0 499.633 2.906 50 0 JFAARO COc1ccc(-c2cn3nc(N4CCC(C(=O)NCC[NH+]5CCCC5)CC4)sc3n2)cc1 ZINC000009117381 554906598 /nfs/dbraw/zinc/90/65/98/554906598.db2.gz RGIJMZZOOBNOTD-UHFFFAOYSA-N 1 0 454.600 2.895 50 0 JFAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(F)cc1 ZINC000009194425 554968004 /nfs/dbraw/zinc/96/80/04/554968004.db2.gz STVNXRKHVAZMDN-UHFFFAOYSA-N 1 0 463.897 2.942 50 0 JFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OCc1ccccc1F ZINC000009194416 554968080 /nfs/dbraw/zinc/96/80/80/554968080.db2.gz HULPPNKHOAUKCC-UHFFFAOYSA-N 1 0 494.321 2.661 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000009302745 555075923 /nfs/dbraw/zinc/07/59/23/555075923.db2.gz QSTHZYIDJKOOMJ-AKTXLMLESA-N 1 0 498.377 2.916 50 0 JFAARO CSCC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009410800 555177666 /nfs/dbraw/zinc/17/76/66/555177666.db2.gz KELIBUNTDYEODG-NRFANRHFSA-N 1 0 469.655 2.634 50 0 JFAARO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009463450 555233603 /nfs/dbraw/zinc/23/36/03/555233603.db2.gz ZOFHVNOPMJQRLB-UHFFFAOYSA-N 1 0 463.625 2.545 50 0 JFAARO CC(C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530041 555324665 /nfs/dbraw/zinc/32/46/65/555324665.db2.gz JOZMPOMLHIMARO-SFTDATJTSA-N 1 0 490.651 2.529 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000009559171 555353295 /nfs/dbraw/zinc/35/32/95/555353295.db2.gz KRLIMPOULZBMDQ-BJKOFHAPSA-N 1 0 451.567 2.999 50 0 JFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009579471 555383090 /nfs/dbraw/zinc/38/30/90/555383090.db2.gz WYCONYPCGZKFNE-UHFFFAOYSA-N 1 0 499.633 2.771 50 0 JFAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000009580130 555385205 /nfs/dbraw/zinc/38/52/05/555385205.db2.gz IXLFCYJAWZAVLD-SFHVURJKSA-N 1 0 455.552 2.696 50 0 JFAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc21 ZINC000009603916 555430632 /nfs/dbraw/zinc/43/06/32/555430632.db2.gz AZRVENSEOXRHKW-UHFFFAOYSA-N 1 0 488.635 2.834 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3N3CCOCC3)cc2)CC1 ZINC000009604536 555431458 /nfs/dbraw/zinc/43/14/58/555431458.db2.gz MKFUDSOHUJUANV-UHFFFAOYSA-N 1 0 451.615 2.736 50 0 JFAARO CCCCOc1ccc(C(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)cc1 ZINC000009620764 555456973 /nfs/dbraw/zinc/45/69/73/555456973.db2.gz ZPUNCIVLDOPMIF-UHFFFAOYSA-N 1 0 452.603 2.678 50 0 JFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000013541184 555489308 /nfs/dbraw/zinc/48/93/08/555489308.db2.gz XRKRKVXSSIRFFM-NBCVKUGOSA-N 1 0 487.487 2.708 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013573972 555512465 /nfs/dbraw/zinc/51/24/65/555512465.db2.gz NBHYGULQCYBWMP-FLFXDLLNSA-N 1 0 453.926 2.807 50 0 JFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000013591865 555526457 /nfs/dbraw/zinc/52/64/57/555526457.db2.gz GCXJFLIZOGQBMB-CWPWCLJTSA-N 1 0 459.930 2.811 50 0 JFAARO O=C1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019890097 555529583 /nfs/dbraw/zinc/52/95/83/555529583.db2.gz TVBZQSKQYNUXHR-IBGZPJMESA-N 1 0 465.934 2.554 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3nc(C)n4c5ccsc5cc4c3=O)CC2)c1 ZINC000009971559 555569723 /nfs/dbraw/zinc/56/97/23/555569723.db2.gz ROAYYISNXHWHJJ-UHFFFAOYSA-N 1 0 492.649 2.964 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)CC1 ZINC000020108849 555643888 /nfs/dbraw/zinc/64/38/88/555643888.db2.gz UBTJKYGRVODZEU-FTJBHMTQSA-N 1 0 496.627 2.897 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)CC1 ZINC000020108847 555644074 /nfs/dbraw/zinc/64/40/74/555644074.db2.gz UBTJKYGRVODZEU-UIOOFZCWSA-N 1 0 496.627 2.897 50 0 JFAARO C[NH+]1CCN(CCN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115184 555653102 /nfs/dbraw/zinc/65/31/02/555653102.db2.gz ABMZRDVBHLTRMF-NRFANRHFSA-N 1 0 486.041 2.918 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000014183601 555725054 /nfs/dbraw/zinc/72/50/54/555725054.db2.gz XGVCDKGVRMBFEA-RDGATRHJSA-N 1 0 466.538 2.633 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C2)cc1 ZINC000014254438 555755779 /nfs/dbraw/zinc/75/57/79/555755779.db2.gz ITTIWIKMQXEHGY-GHTZIAJQSA-N 1 0 461.584 2.642 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1 ZINC000020531928 555799752 /nfs/dbraw/zinc/79/97/52/555799752.db2.gz KVHRGFXSTXMOPZ-UHFFFAOYSA-N 1 0 485.633 2.567 50 0 JFAARO O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000020532634 555803222 /nfs/dbraw/zinc/80/32/22/555803222.db2.gz IUFCEOMENJEKPJ-UHFFFAOYSA-N 1 0 457.552 2.806 50 0 JFAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)C1 ZINC000020557068 555808846 /nfs/dbraw/zinc/80/88/46/555808846.db2.gz YDVMFVPAOKLLCG-RTBURBONSA-N 1 0 453.635 2.863 50 0 JFAARO COc1ccc(NS(=O)(=O)c2cc(NCc3ccoc3)cc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000014531270 555818281 /nfs/dbraw/zinc/81/82/81/555818281.db2.gz FGWUOKICWTWUCK-UHFFFAOYSA-N 1 0 472.567 2.993 50 0 JFAARO O=C(COc1ccc(N2CC[NH+](C3CCCCC3)CC2)nn1)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000011786333 555819578 /nfs/dbraw/zinc/81/95/78/555819578.db2.gz AOEZKJYICTYXMZ-XMMPIXPASA-N 1 0 494.640 2.913 50 0 JFAARO CCCc1cc(CN(C)C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(CC[NH+](C)C)C2=O)[nH]n1 ZINC000011786363 555819618 /nfs/dbraw/zinc/81/96/18/555819618.db2.gz JUDANWGZQHOTJI-XMMPIXPASA-N 1 0 474.005 2.623 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000020566308 555820782 /nfs/dbraw/zinc/82/07/82/555820782.db2.gz AEDJGYAMWXYUMV-KWALNSLNSA-N 1 0 497.979 2.976 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000014533297 555821756 /nfs/dbraw/zinc/82/17/56/555821756.db2.gz NTRHSRWEQANMAL-UHFFFAOYSA-N 1 0 458.946 2.886 50 0 JFAARO C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3nccs3)CC2)C1=O ZINC000014538595 555828329 /nfs/dbraw/zinc/82/83/29/555828329.db2.gz LTJSZQRYRZMWFW-UHFFFAOYSA-N 1 0 455.628 2.936 50 0 JFAARO Cc1ccc2[nH]c3c(cnn(CC(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1 ZINC000020574544 555829026 /nfs/dbraw/zinc/82/90/26/555829026.db2.gz IZOHYJDENOVMKJ-UHFFFAOYSA-N 1 0 472.593 2.510 50 0 JFAARO CC[C@H](C)C(=O)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CC[NH+]3CCCC3)C2=O)CC1 ZINC000011814906 555829946 /nfs/dbraw/zinc/82/99/46/555829946.db2.gz XNRUHCWDIVQPKV-RXFWQSSRSA-N 1 0 454.615 2.900 50 0 JFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000014540616 555830709 /nfs/dbraw/zinc/83/07/09/555830709.db2.gz URVSOZVKNUDRMM-UHFFFAOYSA-N 1 0 477.561 2.636 50 0 JFAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCCN2CCOCC2)C1 ZINC000014540454 555830868 /nfs/dbraw/zinc/83/08/68/555830868.db2.gz KMCYXMPPNDNKLX-BJKOFHAPSA-N 1 0 470.658 2.546 50 0 JFAARO COc1cccc([C@]2(CC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011816268 555830908 /nfs/dbraw/zinc/83/09/08/555830908.db2.gz WLVSQZKKFWHGEU-HRFSGMKKSA-N 1 0 481.568 2.799 50 0 JFAARO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000014998429 555843008 /nfs/dbraw/zinc/84/30/08/555843008.db2.gz VHFGMGYJCAOAJT-FQEVSTJZSA-N 1 0 456.656 3.000 50 0 JFAARO COc1ccc(CCS(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)N2CC[NH+](C)CC2)cc1 ZINC000020890657 555848477 /nfs/dbraw/zinc/84/84/77/555848477.db2.gz QLEBVIYTBJQJBX-XMMPIXPASA-N 1 0 456.612 2.627 50 0 JFAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000021795270 555856419 /nfs/dbraw/zinc/85/64/19/555856419.db2.gz CLDKKZXUDXOCEM-UHFFFAOYSA-N 1 0 450.465 2.995 50 0 JFAARO COc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(OC)c1OC ZINC000015043784 555865964 /nfs/dbraw/zinc/86/59/64/555865964.db2.gz BXHVUDYJJHSRFL-UHFFFAOYSA-N 1 0 471.554 2.727 50 0 JFAARO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015045506 555866073 /nfs/dbraw/zinc/86/60/73/555866073.db2.gz ZSSUQNJMATUTJT-HXUWFJFHSA-N 1 0 450.583 2.776 50 0 JFAARO COc1ccccc1-n1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cn1 ZINC000011964669 555871118 /nfs/dbraw/zinc/87/11/18/555871118.db2.gz SUEZVGYACMELFW-REWPJTCUSA-N 1 0 454.571 2.690 50 0 JFAARO CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)Cc1cccc3ccccc31)CC2 ZINC000011966368 555872144 /nfs/dbraw/zinc/87/21/44/555872144.db2.gz NVOKQWMLOIFNLC-QHCPKHFHSA-N 1 0 476.625 2.824 50 0 JFAARO CC1(C(=O)N2CCC([C@@]3(Cc4ccccc4)NC(=O)N(CC[NH+]4CCCC4)C3=O)CC2)CC1 ZINC000011971114 555873922 /nfs/dbraw/zinc/87/39/22/555873922.db2.gz UUZVNYMOKWGITO-AREMUKBSSA-N 1 0 452.599 2.654 50 0 JFAARO C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011973923 555875022 /nfs/dbraw/zinc/87/50/22/555875022.db2.gz SKSFETBFEHHLPF-CQSZACIVSA-N 1 0 455.465 2.834 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccc(OC)cc1 ZINC000011998198 555880625 /nfs/dbraw/zinc/88/06/25/555880625.db2.gz OSBHILYYVKBSNG-OAQYLSRUSA-N 1 0 459.568 2.575 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c2ccccc12 ZINC000012029056 555886314 /nfs/dbraw/zinc/88/63/14/555886314.db2.gz PODXVBUZPVYOAW-JOCHJYFZSA-N 1 0 457.600 2.745 50 0 JFAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015505292 555911786 /nfs/dbraw/zinc/91/17/86/555911786.db2.gz DEWVVAMZVGWVEO-IBGZPJMESA-N 1 0 497.621 2.627 50 0 JFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc4cccc(OC)c4n2)CC3)cc1 ZINC000012135132 555913051 /nfs/dbraw/zinc/91/30/51/555913051.db2.gz KHWMZPIVOBPBBI-UHFFFAOYSA-N 1 0 486.576 2.874 50 0 JFAARO CN(C[C@H]1Cc2ccccc2O1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012160291 555930554 /nfs/dbraw/zinc/93/05/54/555930554.db2.gz HCACUYDPWHJUFQ-NIYFSFCBSA-N 1 0 483.996 2.751 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c(OC)c1OC ZINC000012190990 555938246 /nfs/dbraw/zinc/93/82/46/555938246.db2.gz KIVOGMCUCYJSMN-UHFFFAOYSA-N 1 0 479.581 2.643 50 0 JFAARO COc1ccc(-c2noc(CN3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)n2)cc1OC ZINC000015726435 555964624 /nfs/dbraw/zinc/96/46/24/555964624.db2.gz WWAAHGSNSOEBGO-UHFFFAOYSA-N 1 0 471.602 2.958 50 0 JFAARO COc1ccc(-c2noc(CN3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)n2)cc1OC ZINC000015726453 555965229 /nfs/dbraw/zinc/96/52/29/555965229.db2.gz MBKVKSHLZZXRAF-UHFFFAOYSA-N 1 0 471.602 2.958 50 0 JFAARO Cc1oc(-c2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000022936608 555989432 /nfs/dbraw/zinc/98/94/32/555989432.db2.gz HCEFWKFOLPYFOD-UHFFFAOYSA-N 1 0 482.606 2.601 50 0 JFAARO Cc1noc2ncnc(N3CCC(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)CC3)c12 ZINC000022937217 555990196 /nfs/dbraw/zinc/99/01/96/555990196.db2.gz SWSNLDBTOBQULI-UHFFFAOYSA-N 1 0 469.634 2.599 50 0 JFAARO C[N@H+](CCCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000015786793 556006446 /nfs/dbraw/zinc/00/64/46/556006446.db2.gz LSSWRZWGBFIGMR-UHFFFAOYSA-N 1 0 462.959 2.949 50 0 JFAARO O=C(CN1C(=O)CN(C(=O)NCc2ccc(F)cc2)c2ccccc21)NCC[NH+]1CCCCCC1 ZINC000015787045 556006807 /nfs/dbraw/zinc/00/68/07/556006807.db2.gz UIGAJJVALKGICM-UHFFFAOYSA-N 1 0 481.572 2.881 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000023130634 556019367 /nfs/dbraw/zinc/01/93/67/556019367.db2.gz OFXBWHXHLPJFHL-HNNXBMFYSA-N 1 0 460.550 2.716 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000023133132 556019668 /nfs/dbraw/zinc/01/96/68/556019668.db2.gz QESYPTLGFLSUHH-VQTJNVASSA-N 1 0 453.630 2.869 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000023133134 556020105 /nfs/dbraw/zinc/02/01/05/556020105.db2.gz QESYPTLGFLSUHH-WOJBJXKFSA-N 1 0 453.630 2.869 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000012551902 556033962 /nfs/dbraw/zinc/03/39/62/556033962.db2.gz YHHCMRLURSQHSJ-UHFFFAOYSA-N 1 0 492.686 2.692 50 0 JFAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000015862672 556035866 /nfs/dbraw/zinc/03/58/66/556035866.db2.gz MGKKVYYDRWRNBR-UHFFFAOYSA-N 1 0 473.639 2.907 50 0 JFAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000015864293 556038976 /nfs/dbraw/zinc/03/89/76/556038976.db2.gz GOGLYKHRHROQGS-UHFFFAOYSA-N 1 0 466.003 2.534 50 0 JFAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000015864316 556039335 /nfs/dbraw/zinc/03/93/35/556039335.db2.gz RYLKNBJSJOSWNT-UHFFFAOYSA-N 1 0 459.612 2.633 50 0 JFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000015933647 556071440 /nfs/dbraw/zinc/07/14/40/556071440.db2.gz CQKOQFRQZQEMNE-JOCHJYFZSA-N 1 0 475.611 2.716 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023717907 556085320 /nfs/dbraw/zinc/08/53/20/556085320.db2.gz XXKWDYICLBCEPZ-UHFFFAOYSA-N 1 0 477.671 2.945 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000015957613 556089137 /nfs/dbraw/zinc/08/91/37/556089137.db2.gz RLHWBSSYCMUDNB-BMEWAZJXSA-N 1 0 481.508 2.626 50 0 biogenic JFAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CCSC)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959286 556091028 /nfs/dbraw/zinc/09/10/28/556091028.db2.gz OZPDLDAFYHUBIS-YRKFHGTDSA-N 1 0 463.603 2.965 50 0 biogenic JFAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CCSC)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959283 556091064 /nfs/dbraw/zinc/09/10/64/556091064.db2.gz OZPDLDAFYHUBIS-KKPNIWNPSA-N 1 0 463.603 2.965 50 0 biogenic JFAARO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H](CCSC)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959217 556091175 /nfs/dbraw/zinc/09/11/75/556091175.db2.gz QLIBMHACSRMFAV-MSZDEVHKSA-N 1 0 463.603 2.965 50 0 biogenic JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022045 556114409 /nfs/dbraw/zinc/11/44/09/556114409.db2.gz HCIOYYUACOXVCD-KXBZBNQCSA-N 1 0 466.401 2.721 50 0 JFAARO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)ccc3OC)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016042931 556122591 /nfs/dbraw/zinc/12/25/91/556122591.db2.gz ZUZTXVINGICUBZ-GDNALLQQSA-N 1 0 461.518 2.549 50 0 biogenic JFAARO O=C(CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012925831 556143939 /nfs/dbraw/zinc/14/39/39/556143939.db2.gz LJABCLZFEDRPMP-UHFFFAOYSA-N 1 0 476.624 2.646 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl ZINC000012995676 556188459 /nfs/dbraw/zinc/18/84/59/556188459.db2.gz FJDOTOWXJZAKCA-LJQANCHMSA-N 1 0 463.003 2.968 50 0 JFAARO COc1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000013004673 556196812 /nfs/dbraw/zinc/19/68/12/556196812.db2.gz UWEPBOCYZGKYGV-OAQYLSRUSA-N 1 0 466.003 2.922 50 0 JFAARO CCCC[NH+]1CCN(C(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000017270346 556249199 /nfs/dbraw/zinc/24/91/99/556249199.db2.gz SWKHFQRICVGOMH-OAQYLSRUSA-N 1 0 463.582 2.876 50 0 JFAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013069493 556266071 /nfs/dbraw/zinc/26/60/71/556266071.db2.gz DVSBGSQVCKEQER-GOSISDBHSA-N 1 0 484.043 2.989 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccccc1 ZINC000013096146 556289889 /nfs/dbraw/zinc/28/98/89/556289889.db2.gz AQYHNXIJCWSNRM-QHCPKHFHSA-N 1 0 459.612 2.829 50 0 JFAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1ccc3cccnc3c1)CC2 ZINC000019335279 556342988 /nfs/dbraw/zinc/34/29/88/556342988.db2.gz MVBMSYIBKUNHDP-UHFFFAOYSA-N 1 0 456.550 2.622 50 0 JFAARO O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000019732677 556363171 /nfs/dbraw/zinc/36/31/71/556363171.db2.gz ANVTWMNQVKPPFW-HHHXNRCGSA-N 1 0 478.568 2.895 50 0 JFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@@H]1CCCO1 ZINC000019740767 556363987 /nfs/dbraw/zinc/36/39/87/556363987.db2.gz CCGQDTGWKLMDGS-DEOSSOPVSA-N 1 0 475.593 2.753 50 0 JFAARO COc1cc2ncn(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OC ZINC000032093093 556414795 /nfs/dbraw/zinc/41/47/95/556414795.db2.gz PLFIJAYUJYIPCT-UHFFFAOYSA-N 1 0 450.539 2.585 50 0 JFAARO Cc1c2ccc(OC[C@H](O)C[NH+]3CCC(C(N)=O)CC3)cc2oc(=O)c1Cc1ccccc1 ZINC000032608486 556450391 /nfs/dbraw/zinc/45/03/91/556450391.db2.gz XTOUNVKAMYEELG-HXUWFJFHSA-N 1 0 450.535 2.629 50 0 JFAARO COc1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000032781163 556493786 /nfs/dbraw/zinc/49/37/86/556493786.db2.gz WYCPNZRWCCRHLT-UHFFFAOYSA-N 1 0 466.003 2.798 50 0 JFAARO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000032781160 556493794 /nfs/dbraw/zinc/49/37/94/556493794.db2.gz YXJDUASHJXWVCY-UHFFFAOYSA-N 1 0 478.014 2.992 50 0 JFAARO COc1cc(OC)c(C2=CC[N@H+](CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c(OC)c1 ZINC000032870939 556518246 /nfs/dbraw/zinc/51/82/46/556518246.db2.gz FQFQOHGNWCFDFL-UHFFFAOYSA-N 1 0 452.511 3.000 50 0 JFAARO CCOc1ccc([C@H]2NC(=O)N=C(CN3CC[NH+](Cc4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415361 569600693 /nfs/dbraw/zinc/60/06/93/569600693.db2.gz BNFAZXUXJUKWGC-XMMPIXPASA-N 1 0 464.566 2.684 50 0 JFAARO COc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCCCCC3)s2)cc1 ZINC000032987404 569609523 /nfs/dbraw/zinc/60/95/23/569609523.db2.gz RTNGFYBGEHQQQS-UHFFFAOYSA-N 1 0 461.588 2.698 50 0 JFAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CCC(N)=O)[NH2+][C@]23c2cc(Cl)cc(C)c2NC3=O)cc1 ZINC000064198348 569616337 /nfs/dbraw/zinc/61/63/37/569616337.db2.gz DNDWTOVLINBWLH-FMKFIRIRSA-N 1 0 456.930 2.687 50 0 JFAARO Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCCCN1CC[NH+](C)CC1 ZINC000064450512 569617103 /nfs/dbraw/zinc/61/71/03/569617103.db2.gz QTEHQPHQSZIHEU-UHFFFAOYSA-N 1 0 479.603 2.828 50 0 JFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064565639 569619185 /nfs/dbraw/zinc/61/91/85/569619185.db2.gz CVRVCIRSQRXINW-HXUWFJFHSA-N 1 0 494.640 2.718 50 0 JFAARO CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCCC4)C3)ccc21 ZINC000033023432 569619542 /nfs/dbraw/zinc/61/95/42/569619542.db2.gz AKEIYPZDOCXGOI-HXUWFJFHSA-N 1 0 490.674 2.624 50 0 JFAARO O=C(c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033292261 569622255 /nfs/dbraw/zinc/62/22/55/569622255.db2.gz XUJHJKZFWZZPFS-UHFFFAOYSA-N 1 0 473.599 2.612 50 0 JFAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292301 569622407 /nfs/dbraw/zinc/62/24/07/569622407.db2.gz ZMJPOJSLIGCWTH-UHFFFAOYSA-N 1 0 495.605 2.699 50 0 JFAARO CN(CC(=O)NCCCN1CC[NH+](C)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704440 569624984 /nfs/dbraw/zinc/62/49/84/569624984.db2.gz IMFNFCONFQVSPS-UHFFFAOYSA-N 1 0 498.701 2.858 50 0 JFAARO Cn1ncc2c3ccccc3n(CC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1=O ZINC000064775900 569627732 /nfs/dbraw/zinc/62/77/32/569627732.db2.gz PIMUNUUGKFJHOG-UHFFFAOYSA-N 1 0 493.011 2.870 50 0 JFAARO COc1cc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc(OC)c1OC ZINC000064800105 569631241 /nfs/dbraw/zinc/63/12/41/569631241.db2.gz ZTHHSCTXHVPPKN-UHFFFAOYSA-N 1 0 456.547 2.765 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1Cl ZINC000064814532 569632230 /nfs/dbraw/zinc/63/22/30/569632230.db2.gz OIFDUNUPUQUMSO-UHFFFAOYSA-N 1 0 466.007 2.948 50 0 JFAARO COc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000064836164 569636767 /nfs/dbraw/zinc/63/67/67/569636767.db2.gz CYXGONWGZNSXLT-UHFFFAOYSA-N 1 0 487.560 2.539 50 0 JFAARO COC(=O)c1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c1 ZINC000064836156 569636805 /nfs/dbraw/zinc/63/68/05/569636805.db2.gz WCWMTIKCGRPUJK-UHFFFAOYSA-N 1 0 471.517 2.630 50 0 JFAARO Cn1c2c(C(=O)Nc3ccc4c(c3)OCCO4)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836121 569636841 /nfs/dbraw/zinc/63/68/41/569636841.db2.gz IJTWXBPMBYPOGF-UHFFFAOYSA-N 1 0 471.517 2.615 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)CC1 ZINC000064872994 569640685 /nfs/dbraw/zinc/64/06/85/569640685.db2.gz UXPVYJRLUKXZNY-UHFFFAOYSA-N 1 0 454.594 2.643 50 0 JFAARO CN(C)c1nc(N2CC[NH+](C3CCCCC3)CC2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000034676883 569641736 /nfs/dbraw/zinc/64/17/36/569641736.db2.gz FVYRDENHUZWUPT-UHFFFAOYSA-N 1 0 484.670 2.744 50 0 JFAARO Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@H]3C)c2)c1 ZINC000065025195 569650222 /nfs/dbraw/zinc/65/02/22/569650222.db2.gz WLHIJCPQCUAGPK-LJQANCHMSA-N 1 0 471.627 2.923 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000065061310 569655335 /nfs/dbraw/zinc/65/53/35/569655335.db2.gz IEQLNCVBGWLYCV-UHFFFAOYSA-N 1 0 452.621 2.559 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000065061432 569655339 /nfs/dbraw/zinc/65/53/39/569655339.db2.gz JIKVGZMVOUIDQY-QGZVFWFLSA-N 1 0 466.648 2.805 50 0 JFAARO Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cc(F)cc(F)c2)c1 ZINC000065074748 569657294 /nfs/dbraw/zinc/65/72/94/569657294.db2.gz ZATTVWVBKSCXBG-UHFFFAOYSA-N 1 0 462.566 2.896 50 0 biogenic JFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccccc1F ZINC000065074713 569657321 /nfs/dbraw/zinc/65/73/21/569657321.db2.gz CFMPSTDMNFNEEU-UHFFFAOYSA-N 1 0 450.967 2.794 50 0 biogenic JFAARO COc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(Cl)s2)CC3)c1 ZINC000065074787 569657449 /nfs/dbraw/zinc/65/74/49/569657449.db2.gz VFEAGOQCUFRLJC-UHFFFAOYSA-N 1 0 469.032 2.725 50 0 biogenic JFAARO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)NCC[NH+]=C2NCc1ccccc1 ZINC000065074796 569657471 /nfs/dbraw/zinc/65/74/71/569657471.db2.gz NHYFWNUQOYYNNP-UHFFFAOYSA-N 1 0 452.624 2.880 50 0 biogenic JFAARO Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc3c(c2)OCO3)cc1C ZINC000065074880 569657585 /nfs/dbraw/zinc/65/75/85/569657585.db2.gz VPDFFAANTJFOAY-UHFFFAOYSA-N 1 0 484.622 2.655 50 0 biogenic JFAARO C[C@@H](CCNC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1)[NH+]1CCCCCC1 ZINC000065117591 569667152 /nfs/dbraw/zinc/66/71/52/569667152.db2.gz RFANCZRWUFHQDE-INIZCTEOSA-N 1 0 452.552 2.610 50 0 JFAARO CCOC(=O)CCC(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921495 569672402 /nfs/dbraw/zinc/67/24/02/569672402.db2.gz WZNBELXTQAMSBK-UHFFFAOYSA-N 1 0 480.558 2.827 50 0 JFAARO Cc1nc2ccc(S(=O)(=O)N3CCN(c4cc(N5CCCC5)[nH+]c(C)n4)CC3)cc2s1 ZINC000065364080 569675521 /nfs/dbraw/zinc/67/55/21/569675521.db2.gz XMIWJUSACZCDNZ-UHFFFAOYSA-N 1 0 458.613 2.814 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067287117 569684271 /nfs/dbraw/zinc/68/42/71/569684271.db2.gz BCDGRQFGSXUQIQ-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO CCOc1ccc([C@@H]2NC(=O)N=C(CN3CC[NH+](C4CCCCC4)CC3)C2C(=O)OC)cc1 ZINC000067287204 569684408 /nfs/dbraw/zinc/68/44/08/569684408.db2.gz QKCNHDHPUDRXRM-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035375170 569684451 /nfs/dbraw/zinc/68/44/51/569684451.db2.gz QSTHZYIDJKOOMJ-BMCOSUIVSA-N 1 0 498.377 2.916 50 0 JFAARO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403262 569691348 /nfs/dbraw/zinc/69/13/48/569691348.db2.gz ULLFXKPWSKVZMK-XMMPIXPASA-N 1 0 480.584 2.556 50 0 JFAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Br)c2)c1 ZINC000035421860 569692368 /nfs/dbraw/zinc/69/23/68/569692368.db2.gz NYQIWPODGCHDJN-UHFFFAOYSA-N 1 0 460.372 2.922 50 0 JFAARO CN(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000070006558 569694600 /nfs/dbraw/zinc/69/46/00/569694600.db2.gz DKAAIEXRCFNTEW-HHHXNRCGSA-N 1 0 475.593 2.894 50 0 JFAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CCc3c(C)[nH]c(C(=O)OCC)c3C)C2)CC1 ZINC000035447507 569696153 /nfs/dbraw/zinc/69/61/53/569696153.db2.gz NOMZAJDUXYPKLE-HXUWFJFHSA-N 1 0 460.619 2.534 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000071887768 569699162 /nfs/dbraw/zinc/69/91/62/569699162.db2.gz JBGNGVBMMNQZGW-UHFFFAOYSA-N 1 0 459.472 2.884 50 0 JFAARO Cn1cc([C@@H](CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)[NH+](C)C)c2ccccc21 ZINC000077201001 569705170 /nfs/dbraw/zinc/70/51/70/569705170.db2.gz CTGJBSPVGZZFTR-HSZRJFAPSA-N 1 0 490.651 2.690 50 0 JFAARO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1 ZINC000084654490 569709555 /nfs/dbraw/zinc/70/95/55/569709555.db2.gz WZRFLSDVFPIXOV-LRQRDZAKSA-N 1 0 498.653 2.808 50 0 investigational JFAARO Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)c(C)s2)no1 ZINC000085650097 569712456 /nfs/dbraw/zinc/71/24/56/569712456.db2.gz ZSYTUHKPLRPXQI-UHFFFAOYSA-N 1 0 495.671 2.808 50 0 JFAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000085652052 569713889 /nfs/dbraw/zinc/71/38/89/569713889.db2.gz IKWKCRGYVKNJLU-LJQANCHMSA-N 1 0 471.583 2.575 50 0 JFAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+](C)C)n3c2=O)nn1-c1cccc(F)c1 ZINC000035911852 569726975 /nfs/dbraw/zinc/72/69/75/569726975.db2.gz SIEYSFJSMHDMOW-UHFFFAOYSA-N 1 0 468.558 2.585 50 0 JFAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(F)cc3)nc2N2CC[NH+](CC)CC2)C1 ZINC000036003152 569746510 /nfs/dbraw/zinc/74/65/10/569746510.db2.gz AAOVYEVVHKFCEI-LJQANCHMSA-N 1 0 469.561 2.840 50 0 JFAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036031250 569751868 /nfs/dbraw/zinc/75/18/68/569751868.db2.gz FMBUNXZBSXSUTN-NRFANRHFSA-N 1 0 464.990 2.931 50 0 JFAARO COCCC[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H](O)COC(C)C ZINC000036249705 569757951 /nfs/dbraw/zinc/75/79/51/569757951.db2.gz IOIGGBNMJOLPBQ-NRFANRHFSA-N 1 0 465.566 2.942 50 0 JFAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000036755382 569780712 /nfs/dbraw/zinc/78/07/12/569780712.db2.gz MSZICNNAKUBVOA-AREMUKBSSA-N 1 0 464.566 2.505 50 0 JFAARO C[NH+](C)CCN1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccccc3F)n2)CC1 ZINC000037360140 569784106 /nfs/dbraw/zinc/78/41/06/569784106.db2.gz MKTKETPMLZFJQQ-UHFFFAOYSA-N 1 0 474.588 2.947 50 0 JFAARO Cc1cc(F)ccc1OCC(=O)c1ccc2c(c1)N([C@H](C)C(=O)NCC[NH+]1CCCC1)C(=O)CO2 ZINC000037511797 569791756 /nfs/dbraw/zinc/79/17/56/569791756.db2.gz YFGCNYUCKJBCRV-GOSISDBHSA-N 1 0 483.540 2.722 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccccc3OC)cc21 ZINC000037511774 569791833 /nfs/dbraw/zinc/79/18/33/569791833.db2.gz AGCSWBBLQMRIGZ-SFHVURJKSA-N 1 0 483.565 2.529 50 0 JFAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]Cc2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000039429924 569809896 /nfs/dbraw/zinc/80/98/96/569809896.db2.gz ULJZZHASEPMQHK-IYBDPMFKSA-N 1 0 451.556 2.516 50 0 JFAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 ZINC000040009646 569813742 /nfs/dbraw/zinc/81/37/42/569813742.db2.gz SDSRXMQBDCPZSA-UHFFFAOYSA-N 1 0 451.614 2.941 50 0 JFAARO C[C@@H](CCNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1)[NH+]1CCCCCC1 ZINC000040455270 569829516 /nfs/dbraw/zinc/82/95/16/569829516.db2.gz DOBOKJAPBHBZDF-SFHVURJKSA-N 1 0 450.543 2.726 50 0 JFAARO COc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1I ZINC000041095423 569837636 /nfs/dbraw/zinc/83/76/36/569837636.db2.gz FGDBXRQXRIJLNQ-UHFFFAOYSA-N 1 0 452.358 2.887 50 0 JFAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000103868960 569838716 /nfs/dbraw/zinc/83/87/16/569838716.db2.gz CZYNOWLCDXWTMI-NDXORKPFSA-N 1 0 490.651 2.990 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 ZINC000049581210 569849068 /nfs/dbraw/zinc/84/90/68/569849068.db2.gz FROSIILCFGPCOT-NTKDMRAZSA-N 1 0 476.595 2.944 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106167143 569853832 /nfs/dbraw/zinc/85/38/32/569853832.db2.gz OSGDALUSAQFRRM-CWMMHYCISA-N 1 0 468.708 2.785 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)CC1 ZINC000169759575 569872351 /nfs/dbraw/zinc/87/23/51/569872351.db2.gz NEQXDROINVPUHX-NRFANRHFSA-N 1 0 471.989 2.754 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000226945658 570039460 /nfs/dbraw/zinc/03/94/60/570039460.db2.gz NVGDSRQUOXYCCK-IIBYNOLFSA-N 1 0 459.543 2.532 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000230071242 570044310 /nfs/dbraw/zinc/04/43/10/570044310.db2.gz CJKOZYLAMNPKQZ-MZKRTTBSSA-N 1 0 486.638 2.913 50 0 JFAARO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245225597 570054743 /nfs/dbraw/zinc/05/47/43/570054743.db2.gz YXHWKPYAVWPRED-SLFFLAALSA-N 1 0 477.675 2.770 50 0 JFAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000245328766 570066008 /nfs/dbraw/zinc/06/60/08/570066008.db2.gz PKTVOZQHUAKBMD-RTBURBONSA-N 1 0 463.550 2.696 50 0 JFAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000245329277 570066197 /nfs/dbraw/zinc/06/61/97/570066197.db2.gz SITHYZYGBPWPBT-XZOQPEGZSA-N 1 0 472.630 2.862 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000245342978 570067108 /nfs/dbraw/zinc/06/71/08/570067108.db2.gz AQEKSTLGBKNJNN-LNRXMEIDSA-N 1 0 456.697 2.692 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245343655 570067384 /nfs/dbraw/zinc/06/73/84/570067384.db2.gz VHWLCHCYPMWFEA-HSALFYBXSA-N 1 0 464.657 2.751 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](CCSC)[NH2+][C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000248268580 570077285 /nfs/dbraw/zinc/07/72/85/570077285.db2.gz YUKOQZBTSJQSDD-ROYATCLZSA-N 1 0 466.401 2.723 50 0 JFAARO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)C1=O ZINC000252458442 570081098 /nfs/dbraw/zinc/08/10/98/570081098.db2.gz IGEINUXKIDZWTK-OJJCSPDDSA-N 1 0 458.559 2.794 50 0 JFAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000252497988 570082110 /nfs/dbraw/zinc/08/21/10/570082110.db2.gz QTEDHRBAFBDKOD-HXUWFJFHSA-N 1 0 467.610 2.834 50 0 JFAARO O=C(CC[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCCc1ccccc1 ZINC000252507634 570082484 /nfs/dbraw/zinc/08/24/84/570082484.db2.gz WQEIVWGPHJODOO-UHFFFAOYSA-N 1 0 484.600 2.802 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000253386058 570095244 /nfs/dbraw/zinc/09/52/44/570095244.db2.gz VLLZQAAEDQPPCC-NFPANJHRSA-N 1 0 451.523 2.625 50 0 JFAARO CC[NH+](CC)CCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccccn2)C3=O)CC1 ZINC000299758217 570174395 /nfs/dbraw/zinc/17/43/95/570174395.db2.gz MUINFGCRODACNV-UHFFFAOYSA-N 1 0 477.609 2.894 50 0 JFAARO COc1ccc(OC)c(-c2ccc(C(=O)N3CCCC[C@H]3CO)c(N3CC[NH+](C)CC3)n2)c1 ZINC000299758828 570174405 /nfs/dbraw/zinc/17/44/05/570174405.db2.gz QGUGRFYXJIGRRZ-SFHVURJKSA-N 1 0 454.571 2.505 50 0 JFAARO CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761941 570174643 /nfs/dbraw/zinc/17/46/43/570174643.db2.gz CEOAZTLXFCEMBS-IZLXSDGUSA-N 1 0 474.605 2.921 50 0 JFAARO COc1cccc([C@@]2(CC(=O)N(C)Cc3cccc4ncccc34)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000299763388 570174929 /nfs/dbraw/zinc/17/49/29/570174929.db2.gz VFQZIHNTEXNABN-MUUNZHRXSA-N 1 0 488.588 2.850 50 0 JFAARO O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000299765512 570175183 /nfs/dbraw/zinc/17/51/83/570175183.db2.gz NTWFIOBNXQYVQL-DEOSSOPVSA-N 1 0 493.526 2.578 50 0 JFAARO COC(=O)[C@@H]1CCCN1C(=O)CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000299766878 570175325 /nfs/dbraw/zinc/17/53/25/570175325.db2.gz UFIWRZBXZDFOBH-WWNPGLIZSA-N 1 0 478.033 2.807 50 0 JFAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H](c1cccnc1)N1CCOCC1 ZINC000299791306 570176934 /nfs/dbraw/zinc/17/69/34/570176934.db2.gz CUUQWJKRFAZFGC-VWNXMTODSA-N 1 0 456.562 2.644 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@@H+](Cc1cc(C)ccc1C)CC2 ZINC000299797504 570177332 /nfs/dbraw/zinc/17/73/32/570177332.db2.gz AYIKDMPMXYVZDA-UHFFFAOYSA-N 1 0 463.582 2.549 50 0 JFAARO Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)([NH3+])c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1 ZINC000725236959 1059998710 /nfs/dbraw/zinc/99/87/10/1059998710.db2.gz DWYRIWUZIJHQKQ-SANMLTNESA-N 1 0 498.570 2.608 50 0 JFAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCC[NH+](C)C)cc1C ZINC000003670440 194358233 /nfs/dbraw/zinc/35/82/33/194358233.db2.gz KRIQSDHXDTXYKH-OAQYLSRUSA-N 1 0 461.360 2.941 50 0 JFAARO C[NH+](C)CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003670625 194358586 /nfs/dbraw/zinc/35/85/86/194358586.db2.gz VCQANUNQMQISCZ-HXUWFJFHSA-N 1 0 483.313 2.992 50 0 JFAARO COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CC[NH+](C)CC1 ZINC000003923836 194366747 /nfs/dbraw/zinc/36/67/47/194366747.db2.gz BDHMSYNBSBZCAF-UHFFFAOYSA-N 1 0 487.363 2.852 50 0 in-vitro JFAARO CC(=O)NCc1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000003923776 194366763 /nfs/dbraw/zinc/36/67/63/194366763.db2.gz AWIONHVPTYTSHZ-DEOSSOPVSA-N 1 0 497.617 2.696 50 0 in-vitro JFAARO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCC[N@H+](C)Cc4ccccc4)ccc3c2=O)cc1 ZINC000004791494 194399779 /nfs/dbraw/zinc/39/97/79/194399779.db2.gz XMPNAGHILMUTDF-UHFFFAOYSA-N 1 0 486.572 2.999 50 0 JFAARO CC(C)C[NH+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)CC(C)C ZINC000008596537 194464204 /nfs/dbraw/zinc/46/42/04/194464204.db2.gz UBMLCTPWMRGTJL-UHFFFAOYSA-N 1 0 490.670 2.667 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000009438724 194783911 /nfs/dbraw/zinc/78/39/11/194783911.db2.gz TXWNBCGAZQCYSG-UHFFFAOYSA-N 1 0 477.656 2.817 50 0 JFAARO CC1CC[NH+](CCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1 ZINC000009669663 194869820 /nfs/dbraw/zinc/86/98/20/194869820.db2.gz VNGBJOIDQUVETP-UHFFFAOYSA-N 1 0 487.464 2.587 50 0 JFAARO Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009911880 195022111 /nfs/dbraw/zinc/02/21/11/195022111.db2.gz NENXJBQIIRCSQF-GOSISDBHSA-N 1 0 454.556 2.706 50 0 JFAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009870503 195005797 /nfs/dbraw/zinc/00/57/97/195005797.db2.gz VYTMIHRAVMYCEC-NHCUHLMSSA-N 1 0 490.670 2.758 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000009873775 195007523 /nfs/dbraw/zinc/00/75/23/195007523.db2.gz VUMHGWKUDKNIRZ-QHCPKHFHSA-N 1 0 457.596 2.974 50 0 JFAARO O=S(=O)(c1ccc(OC[C@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1)N1CCOCC1 ZINC000012600225 195045595 /nfs/dbraw/zinc/04/55/95/195045595.db2.gz QCMZFCTUSGZVHX-GYVBGXKYSA-N 1 0 485.046 2.659 50 0 JFAARO COc1cccc(-n2c(CNC(=O)c3cccc(OC)c3OC)nnc2SCC[NH+](C)C)c1 ZINC000012726858 195097681 /nfs/dbraw/zinc/09/76/81/195097681.db2.gz PGJZZSVHZKXYST-UHFFFAOYSA-N 1 0 471.583 2.877 50 0 JFAARO CC(C)CC[N@H+](CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000012887025 195170956 /nfs/dbraw/zinc/17/09/56/195170956.db2.gz VCUNSUHAMAPNAP-UHFFFAOYSA-N 1 0 455.603 2.667 50 0 JFAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCC(N)=O)[NH2+][C@@]12c1cc(C)ccc1NC2=O ZINC000012890101 195172358 /nfs/dbraw/zinc/17/23/58/195172358.db2.gz NZDNDSAEKAZKPV-UIMAMFOWSA-N 1 0 456.930 2.687 50 0 biogenic JFAARO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000012891488 195173065 /nfs/dbraw/zinc/17/30/65/195173065.db2.gz MHXNSPBGLHSZAZ-XZOQPEGZSA-N 1 0 475.586 2.941 50 0 JFAARO CC(C)(C)c1ccc2c(c1)N(CC(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)C(=O)CO2 ZINC000020684924 195204750 /nfs/dbraw/zinc/20/47/50/195204750.db2.gz MLYTTXBCGZKKEE-UHFFFAOYSA-N 1 0 464.610 2.644 50 0 JFAARO Cn1ccnc1CN1CC[NH+](C2CCN(c3cccc(NC(=O)c4cccnc4)c3)CC2)CC1 ZINC000020782014 195225036 /nfs/dbraw/zinc/22/50/36/195225036.db2.gz CRHYRCMUARRAQC-UHFFFAOYSA-N 1 0 459.598 2.854 50 0 JFAARO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN3CC[NH+](CC)CC3)CC2)c2cc(C)ccc2O1 ZINC000020902439 195241771 /nfs/dbraw/zinc/24/17/71/195241771.db2.gz AMYHVPGEOHPRQP-QFIPXVFZSA-N 1 0 471.646 2.558 50 0 JFAARO O=C(NCCCN1CCCC1=O)c1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000020863949 195234036 /nfs/dbraw/zinc/23/40/36/195234036.db2.gz OTFFHOYGVJGMQU-UHFFFAOYSA-N 1 0 485.658 2.526 50 0 JFAARO CC[C@@H](C(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943737 195256335 /nfs/dbraw/zinc/25/63/35/195256335.db2.gz UDOYJFSISCAPFT-NRFANRHFSA-N 1 0 487.048 2.997 50 0 JFAARO O=c1ccc(-c2ccc(S(=O)(=O)NCC3CC[NH+](CCc4cccs4)CC3)s2)n[nH]1 ZINC000020985079 195260225 /nfs/dbraw/zinc/26/02/25/195260225.db2.gz WFTAEASAXHICHH-UHFFFAOYSA-N 1 0 464.638 2.793 50 0 JFAARO COCCN1C(=O)C[C@@](CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)(c2ccccc2C)C1=O ZINC000020999656 195265217 /nfs/dbraw/zinc/26/52/17/195265217.db2.gz LFUZCMISQNVEGE-SANMLTNESA-N 1 0 483.634 2.824 50 0 JFAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000021023222 195268428 /nfs/dbraw/zinc/26/84/28/195268428.db2.gz YPOKHIAAJHRPRN-DEOSSOPVSA-N 1 0 490.670 2.520 50 0 JFAARO Cc1nn(CCC(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029330 195269377 /nfs/dbraw/zinc/26/93/77/195269377.db2.gz AKTZLBRACMKVFY-QHCPKHFHSA-N 1 0 487.670 2.621 50 0 JFAARO CC[NH+]1CCN(Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)CC1 ZINC000021531642 195309744 /nfs/dbraw/zinc/30/97/44/195309744.db2.gz KOPPTKWUVAQLAM-UHFFFAOYSA-N 1 0 451.644 2.789 50 0 JFAARO COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)[NH+]2CCCC2)cc1 ZINC000021911869 195330044 /nfs/dbraw/zinc/33/00/44/195330044.db2.gz UBINYGOOMBZCMD-HSZRJFAPSA-N 1 0 473.595 2.520 50 0 JFAARO C[NH+](C)CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000058105974 195364792 /nfs/dbraw/zinc/36/47/92/195364792.db2.gz KZHJXYDKGICRLL-UHFFFAOYSA-N 1 0 473.521 2.503 50 0 JFAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000058130674 195365130 /nfs/dbraw/zinc/36/51/30/195365130.db2.gz ZJXYGDRDDIEASS-QGZVFWFLSA-N 1 0 462.591 2.709 50 0 JFAARO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000058331401 195377802 /nfs/dbraw/zinc/37/78/02/195377802.db2.gz QXDOMYSOJWBSIY-MRXNPFEDSA-N 1 0 456.659 2.990 50 0 JFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C(C)C ZINC000096279963 130025016 /nfs/dbraw/zinc/02/50/16/130025016.db2.gz LNINOUVPPHGJGH-UHFFFAOYSA-N 1 0 466.630 2.619 50 0 JFAARO O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096307680 130057619 /nfs/dbraw/zinc/05/76/19/130057619.db2.gz YOXLGIRMMOWKBH-UHFFFAOYSA-N 1 0 461.610 2.502 50 0 JFAARO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014744728 519666866 /nfs/dbraw/zinc/66/68/66/519666866.db2.gz VSQFGHGXJQGDNP-BJKOFHAPSA-N 1 0 462.594 2.504 50 0 JFAARO CC(C)CC[C@]1(C2CCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000014889304 519696093 /nfs/dbraw/zinc/69/60/93/519696093.db2.gz WTBNTIKPCHTJLX-AJTFRIOCSA-N 1 0 482.625 2.884 50 0 JFAARO CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033033780 519717474 /nfs/dbraw/zinc/71/74/74/519717474.db2.gz FJFOIBLCZXXQSZ-UHFFFAOYSA-N 1 0 456.612 2.914 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000033254643 519730241 /nfs/dbraw/zinc/73/02/41/519730241.db2.gz HMAQAQGPDVWBAA-LJQANCHMSA-N 1 0 478.659 2.817 50 0 JFAARO CC(C)CNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033034301 519741644 /nfs/dbraw/zinc/74/16/44/519741644.db2.gz JXJHUBDPDJMLHN-UHFFFAOYSA-N 1 0 450.992 2.936 50 0 JFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033034206 519898637 /nfs/dbraw/zinc/89/86/37/519898637.db2.gz VPJSINZREKWJNH-UHFFFAOYSA-N 1 0 456.612 2.916 50 0 JFAARO CCOC[C@@H](O)C[N@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309046 520092775 /nfs/dbraw/zinc/09/27/75/520092775.db2.gz AWHYYLSIYFRKSG-REWPJTCUSA-N 1 0 476.639 2.989 50 0 JFAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033263230 520616332 /nfs/dbraw/zinc/61/63/32/520616332.db2.gz YXJOACMGGUTTDA-GOSISDBHSA-N 1 0 486.642 2.799 50 0 JFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)C(C)C ZINC000036074025 520640558 /nfs/dbraw/zinc/64/05/58/520640558.db2.gz CQIOPYFITIXNQF-UHFFFAOYSA-N 1 0 496.656 2.627 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033263334 520678819 /nfs/dbraw/zinc/67/88/19/520678819.db2.gz IYSZMZAKJJGWGB-OAHLLOKOSA-N 1 0 493.033 2.754 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)c1cccc(OC)c1 ZINC000036751139 520832069 /nfs/dbraw/zinc/83/20/69/520832069.db2.gz QGJVULGUTQDODL-BKMJKUGQSA-N 1 0 466.582 2.970 50 0 JFAARO CCOC(=O)N1CCC([N@H+]2CCc3c(C(=O)OC)c(OCc4cccs4)cc(=O)n3CC2)CC1 ZINC000014878564 520925715 /nfs/dbraw/zinc/92/57/15/520925715.db2.gz YSAUTGXYJXZHCP-UHFFFAOYSA-N 1 0 489.594 2.754 50 0 JFAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+]CCc4cccnc4)CC3)cc2)CC1 ZINC000014888537 520948893 /nfs/dbraw/zinc/94/88/93/520948893.db2.gz MXZJETZJQKGKJZ-UHFFFAOYSA-N 1 0 465.598 2.797 50 0 JFAARO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1 ZINC000045944640 521190551 /nfs/dbraw/zinc/19/05/51/521190551.db2.gz SVBKODMDKFDEHQ-FQEVSTJZSA-N 1 0 459.612 2.702 50 0 JFAARO CCOc1ccccc1N1CC[NH+]([C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)CC1 ZINC000014753091 521518728 /nfs/dbraw/zinc/51/87/28/521518728.db2.gz JODGLKYVUXJTNP-LJQANCHMSA-N 1 0 469.655 2.687 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COC ZINC000036309312 521537537 /nfs/dbraw/zinc/53/75/37/521537537.db2.gz RZKWYGFRZZVHSZ-GCJKJVERSA-N 1 0 462.612 2.981 50 0 JFAARO CCOC(=O)c1csc(CC[NH2+][C@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)n1 ZINC000014541703 521588781 /nfs/dbraw/zinc/58/87/81/521588781.db2.gz RTJAYLPMJDZYSU-IBGZPJMESA-N 1 0 493.633 2.941 50 0 JFAARO CCOC(CCNC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1)OCC ZINC000012474891 521628024 /nfs/dbraw/zinc/62/80/24/521628024.db2.gz KQJYQWUVLZZHFO-UHFFFAOYSA-N 1 0 485.629 2.919 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)CC1 ZINC000020508133 521681125 /nfs/dbraw/zinc/68/11/25/521681125.db2.gz AOABYTJRDUODTE-ZEQRLZLVSA-N 1 0 484.666 2.819 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000033255187 521681838 /nfs/dbraw/zinc/68/18/38/521681838.db2.gz QHBVDKANRVKXBI-UHFFFAOYSA-N 1 0 475.593 2.954 50 0 JFAARO CCc1cccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+](CC)CC)C(=O)CO3)c1 ZINC000037512771 521776976 /nfs/dbraw/zinc/77/69/76/521776976.db2.gz WSIBZQUXYAGQFX-UHFFFAOYSA-N 1 0 467.566 2.694 50 0 JFAARO COC(=O)c1c(OCC[NH+]2CCCCC2)cc(=O)n2c1CCN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000014881293 521776969 /nfs/dbraw/zinc/77/69/69/521776969.db2.gz VEMZTKQZLWVNLQ-UHFFFAOYSA-N 1 0 481.593 2.815 50 0 JFAARO CC[C@@H](C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416837 521838549 /nfs/dbraw/zinc/83/85/49/521838549.db2.gz RRNJAIGJWCQQRX-NRFANRHFSA-N 1 0 482.629 2.958 50 0 JFAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000014981435 522032333 /nfs/dbraw/zinc/03/23/33/522032333.db2.gz PAQHPFUBBMWNOF-IRLDBZIGSA-N 1 0 451.571 2.651 50 0 JFAARO COc1cc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc(OC)c1OC ZINC000017012223 522086887 /nfs/dbraw/zinc/08/68/87/522086887.db2.gz IVRYIJKRIADHLS-UHFFFAOYSA-N 1 0 455.559 2.764 50 0 JFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OCc1ccc(F)cc1 ZINC000013942035 522450960 /nfs/dbraw/zinc/45/09/60/522450960.db2.gz FQWGLEKSDQWEDL-UHFFFAOYSA-N 1 0 494.321 2.661 50 0 JFAARO COc1cc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)cc(OC)c1OC ZINC000043729330 522635563 /nfs/dbraw/zinc/63/55/63/522635563.db2.gz ABBIVUJFWKDWPV-LPHOPBHVSA-N 1 0 459.518 2.624 50 0 JFAARO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C1CC1 ZINC000036309325 522784761 /nfs/dbraw/zinc/78/47/61/522784761.db2.gz SMIIAZWUBZOTRY-QUCCMNQESA-N 1 0 460.596 2.733 50 0 JFAARO COc1cc(O)ccc1C[N@H+]1CCc2nnc([C@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000012204675 522785785 /nfs/dbraw/zinc/78/57/85/522785785.db2.gz PYAFLZCLSNQTJB-JOCHJYFZSA-N 1 0 450.543 2.573 50 0 JFAARO COC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)CN2C(=O)c4ccccc4C2=O)CCO3)C1 ZINC000012213319 522831719 /nfs/dbraw/zinc/83/17/19/522831719.db2.gz JIISJKDBLKCIHZ-FQEVSTJZSA-N 1 0 477.561 2.562 50 0 JFAARO COc1cc2[nH]c3c(ncn(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3=O)c2cc1OC ZINC000023126000 522988573 /nfs/dbraw/zinc/98/85/73/522988573.db2.gz YFIQWVFWAMBSTO-UHFFFAOYSA-N 1 0 475.549 2.676 50 0 JFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955548 523020672 /nfs/dbraw/zinc/02/06/72/523020672.db2.gz YAQUZRNIVCLGON-IBGZPJMESA-N 1 0 472.659 2.891 50 0 JFAARO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1=O ZINC000022619515 523105467 /nfs/dbraw/zinc/10/54/67/523105467.db2.gz VQIZQLQILFHPJP-OAQYLSRUSA-N 1 0 454.958 2.790 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COC ZINC000036308999 523236894 /nfs/dbraw/zinc/23/68/94/523236894.db2.gz LIDSWNZLLMPXGT-REWPJTCUSA-N 1 0 476.639 2.907 50 0 JFAARO CCn1c2ccccc2nc(SCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000033259832 523283653 /nfs/dbraw/zinc/28/36/53/523283653.db2.gz AAGFVBZSECYDDP-UHFFFAOYSA-N 1 0 479.650 2.833 50 0 JFAARO COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccncc2)C1 ZINC000014748233 523362969 /nfs/dbraw/zinc/36/29/69/523362969.db2.gz HIWGPXVFXAKJPO-XZOQPEGZSA-N 1 0 450.583 2.800 50 0 JFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(C(=O)OC)cc1)CC2 ZINC000014747390 523800978 /nfs/dbraw/zinc/80/09/78/523800978.db2.gz HSMXINFVTJIPGC-UHFFFAOYSA-N 1 0 495.576 2.927 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014746862 523802319 /nfs/dbraw/zinc/80/23/19/523802319.db2.gz SIAYTDQPHTUUEG-UHFFFAOYSA-N 1 0 466.582 2.968 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+]([C@H](C)Cc1cccc(OC)c1)CC2 ZINC000014533023 523804300 /nfs/dbraw/zinc/80/43/00/523804300.db2.gz BFPOAZGMJXVARX-HXUWFJFHSA-N 1 0 466.582 2.967 50 0 JFAARO COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014879930 523805316 /nfs/dbraw/zinc/80/53/16/523805316.db2.gz JDKSGMTZSLHXGQ-RUZDIDTESA-N 1 0 455.530 2.923 50 0 JFAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)c2ccc(F)cc2)CC1 ZINC000022579354 523917712 /nfs/dbraw/zinc/91/77/12/523917712.db2.gz MQSXAXIEVXXIAN-IBGZPJMESA-N 1 0 456.381 2.855 50 0 JFAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc3c(c2)OCO3)CC1 ZINC000022798304 523918145 /nfs/dbraw/zinc/91/81/45/523918145.db2.gz CNXRPMVJCDPWBA-SFHVURJKSA-N 1 0 489.491 2.840 50 0 JFAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(Br)cc2)c2ccc(F)cc2)CC1 ZINC000022795096 523921654 /nfs/dbraw/zinc/92/16/54/523921654.db2.gz MQSXAXIEVXXIAN-LJQANCHMSA-N 1 0 456.381 2.855 50 0 JFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccncc3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033856 524016244 /nfs/dbraw/zinc/01/62/44/524016244.db2.gz VWDWAZIRHMPWAU-UHFFFAOYSA-N 1 0 479.606 2.784 50 0 JFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033833 524016807 /nfs/dbraw/zinc/01/68/07/524016807.db2.gz WWSRERWUEBSVAN-UHFFFAOYSA-N 1 0 479.606 2.784 50 0 JFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nn3c(nc4c(c3=O)CCCC4)s2)CC1 ZINC000021664195 524102011 /nfs/dbraw/zinc/10/20/11/524102011.db2.gz UAGKUQZBMUOHAB-QGZVFWFLSA-N 1 0 472.659 2.627 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3c4ccccc4c4cn[nH]c(=O)c43)CC2)c1 ZINC000020416328 524125923 /nfs/dbraw/zinc/12/59/23/524125923.db2.gz UXWOBKKVLHWGRY-UHFFFAOYSA-N 1 0 472.593 2.823 50 0 JFAARO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)c1 ZINC000045974830 524186237 /nfs/dbraw/zinc/18/62/37/524186237.db2.gz LPXVRTYMPJCVME-UHFFFAOYSA-N 1 0 480.428 2.689 50 0 JFAARO C[C@H](CCNC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1)[NH+]1CCCCCC1 ZINC000065117593 524191660 /nfs/dbraw/zinc/19/16/60/524191660.db2.gz RFANCZRWUFHQDE-MRXNPFEDSA-N 1 0 452.552 2.610 50 0 JFAARO Cc1ccc(CN2CCN(CC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000008666156 524458537 /nfs/dbraw/zinc/45/85/37/524458537.db2.gz LZETWQPYOSBXGW-UHFFFAOYSA-N 1 0 467.589 2.700 50 0 JFAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014542677 524473028 /nfs/dbraw/zinc/47/30/28/524473028.db2.gz WVVXQHRCUPYCQE-ILBGXUMGSA-N 1 0 451.611 2.824 50 0 JFAARO COc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)s2)cc1 ZINC000033060182 524657547 /nfs/dbraw/zinc/65/75/47/524657547.db2.gz FUJJCEQIMDESSZ-UHFFFAOYSA-N 1 0 451.552 2.977 50 0 JFAARO Cc1ccc(Cn2c3ccccc3n(CCC(=O)NCCC[NH+]3CCCCC3)c(=O)c2=O)cc1 ZINC000033272526 524768351 /nfs/dbraw/zinc/76/83/51/524768351.db2.gz OYDSUNZQDHZSNE-UHFFFAOYSA-N 1 0 462.594 2.902 50 0 JFAARO C[C@@H]1CN(C2CC[NH+]([C@H]3CCc4c(c(C(=O)N5CCCCCC5)nn4C)C3)CC2)C[C@H](C)O1 ZINC000014733407 524923632 /nfs/dbraw/zinc/92/36/32/524923632.db2.gz RWXGLYVARADKGM-VWPQPMDRSA-N 1 0 457.663 2.867 50 0 JFAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000048302995 525140563 /nfs/dbraw/zinc/14/05/63/525140563.db2.gz JDXYZHYENNIDGS-VWLOTQADSA-N 1 0 460.578 2.505 50 0 JFAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000048302996 525141417 /nfs/dbraw/zinc/14/14/17/525141417.db2.gz JDXYZHYENNIDGS-RUZDIDTESA-N 1 0 460.578 2.505 50 0 JFAARO Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000008788915 525217537 /nfs/dbraw/zinc/21/75/37/525217537.db2.gz PKOQCPDRDAJQRO-ZEQRLZLVSA-N 1 0 462.594 2.652 50 0 biogenic JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCC[NH+]4CCCCC4)C3)s2)cc1 ZINC000033263261 525261098 /nfs/dbraw/zinc/26/10/98/525261098.db2.gz JJPWNTHWTZOZIH-SFHVURJKSA-N 1 0 484.626 2.553 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033823 525594687 /nfs/dbraw/zinc/59/46/87/525594687.db2.gz ZCGZXGMKQWXTKE-UHFFFAOYSA-N 1 0 465.579 2.530 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033828 525595122 /nfs/dbraw/zinc/59/51/22/525595122.db2.gz LLLUXNXICVKWDE-UHFFFAOYSA-N 1 0 479.606 2.839 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccncc3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033851 525595617 /nfs/dbraw/zinc/59/56/17/525595617.db2.gz YTMDQFCSRLVEOG-UHFFFAOYSA-N 1 0 465.579 2.530 50 0 JFAARO Cc1ccc(S(=O)(=O)n2ccc3c2cccc3OCCOCC[NH2+]CCN2CCOCC2)cc1 ZINC000020219224 525635378 /nfs/dbraw/zinc/63/53/78/525635378.db2.gz BLDKKAVZVDQOAD-UHFFFAOYSA-N 1 0 487.622 2.504 50 0 JFAARO COc1cccc(C(=O)N2CCN([C@@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255064 525803744 /nfs/dbraw/zinc/80/37/44/525803744.db2.gz VFKWJGRPLSNGQN-XMMPIXPASA-N 1 0 456.631 2.614 50 0 JFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCC[N@@H+](C)Cc1ccccc1)c2=O ZINC000064970735 525936070 /nfs/dbraw/zinc/93/60/70/525936070.db2.gz NLQIBPZOTKEKJD-UHFFFAOYSA-N 1 0 458.566 2.837 50 0 JFAARO Cc1ccc2[nH]c3c(cnn(CC(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)c3=O)c2c1 ZINC000008595612 526109665 /nfs/dbraw/zinc/10/96/65/526109665.db2.gz UXTMVCSDPQCORA-UHFFFAOYSA-N 1 0 476.556 2.654 50 0 JFAARO Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)n21 ZINC000020464919 526145655 /nfs/dbraw/zinc/14/56/55/526145655.db2.gz MDCGXGSABJQOPX-NRFANRHFSA-N 1 0 478.641 2.975 50 0 JFAARO O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000033254522 526368378 /nfs/dbraw/zinc/36/83/78/526368378.db2.gz GWHCKHHMPKWHEQ-UHFFFAOYSA-N 1 0 484.666 2.806 50 0 JFAARO O=C(NCCc1ccccc1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020387089 526422363 /nfs/dbraw/zinc/42/23/63/526422363.db2.gz JIFCMVSFBWCQCQ-HSZRJFAPSA-N 1 0 450.583 2.950 50 0 JFAARO Cc1nnsc1C(=O)N1CCc2c(cc(-c3ccncc3)c(=O)n2CC[NH+]2CCCCC2)C1 ZINC000014733707 526442409 /nfs/dbraw/zinc/44/24/09/526442409.db2.gz DZKBHRAQHNCSEB-UHFFFAOYSA-N 1 0 464.595 2.755 50 0 JFAARO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014743182 526518063 /nfs/dbraw/zinc/51/80/63/526518063.db2.gz XZWWSNRMLXYCKV-RCXJIHSJSA-N 1 0 451.611 2.905 50 0 JFAARO O=C(c1ccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000020451913 526696727 /nfs/dbraw/zinc/69/67/27/526696727.db2.gz AOPOTCKBMLJZRF-AREMUKBSSA-N 1 0 484.685 2.877 50 0 JFAARO O=C(C[NH+]1CCCCC1)N1CCC([C@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000014996826 526736697 /nfs/dbraw/zinc/73/66/97/526736697.db2.gz TWYHKISRPNXJQZ-AREMUKBSSA-N 1 0 495.649 2.857 50 0 JFAARO O=C(NC1CCCC1)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CC[NH2+]CC1 ZINC000035513985 527509551 /nfs/dbraw/zinc/50/95/51/527509551.db2.gz MRQHXFZUZDVHTM-UHFFFAOYSA-N 1 0 483.638 2.843 50 0 JFAARO Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000033258693 527518528 /nfs/dbraw/zinc/51/85/28/527518528.db2.gz CFWBQYKCBSPTOE-UHFFFAOYSA-N 1 0 481.645 2.525 50 0 JFAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H]([NH2+]CC1(N3CCOCC3)CCCC1)C2 ZINC000023353606 527546856 /nfs/dbraw/zinc/54/68/56/527546856.db2.gz LSZRXVBUPKDSGI-HXUWFJFHSA-N 1 0 469.605 2.581 50 0 JFAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000033258899 527661342 /nfs/dbraw/zinc/66/13/42/527661342.db2.gz ZTQHSRSUORUAEH-UHFFFAOYSA-N 1 0 474.609 2.658 50 0 JFAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000008662078 527665707 /nfs/dbraw/zinc/66/57/07/527665707.db2.gz JCZJKMWAYCIPFI-UHFFFAOYSA-N 1 0 474.627 2.699 50 0 JFAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[NH+]3CCCCCC3)c2c1 ZINC000008812088 554693428 /nfs/dbraw/zinc/69/34/28/554693428.db2.gz VHTNJQUMPPKEED-SFHVURJKSA-N 1 0 474.627 2.697 50 0 JFAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000008862031 554759535 /nfs/dbraw/zinc/75/95/35/554759535.db2.gz ZMPKBVRJMGQVAN-UEXGIBASSA-N 1 0 461.584 2.644 50 0 JFAARO CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1)C(=O)N[C@H](C)c1ccccc1 ZINC000008918180 554814415 /nfs/dbraw/zinc/81/44/15/554814415.db2.gz ZCWMPSKEMYAQDR-YNJKOYDBSA-N 1 0 478.637 2.813 50 0 biogenic JFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000008931735 554826106 /nfs/dbraw/zinc/82/61/06/554826106.db2.gz KTPBEEZWFQSFOR-OALUTQOASA-N 1 0 467.614 2.936 50 0 JFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000008932149 554826305 /nfs/dbraw/zinc/82/63/05/554826305.db2.gz NJOVNBSOIMLIGF-HKUYNNGSSA-N 1 0 464.551 2.626 50 0 JFAARO COc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OCc1cccnc1 ZINC000009096557 554894910 /nfs/dbraw/zinc/89/49/10/554894910.db2.gz VTTRKBKQDSWHLZ-UHFFFAOYSA-N 1 0 465.377 2.837 50 0 JFAARO COc1ccc([C@@H](CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)[NH+]2CCCCC2)cc1 ZINC000009377393 555138913 /nfs/dbraw/zinc/13/89/13/555138913.db2.gz XYHZXXKCNBRCJF-OAQYLSRUSA-N 1 0 456.587 2.935 50 0 JFAARO O=C(Cc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009410160 555175878 /nfs/dbraw/zinc/17/58/78/555175878.db2.gz MUQOEFGRYAQYPT-QHCPKHFHSA-N 1 0 492.023 2.997 50 0 JFAARO Cn1c2nnc(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000009431279 555200070 /nfs/dbraw/zinc/20/00/70/555200070.db2.gz UEQBRCQZFXDFCD-UHFFFAOYSA-N 1 0 464.595 2.746 50 0 JFAARO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009453960 555225237 /nfs/dbraw/zinc/22/52/37/555225237.db2.gz RFXUFRVBWGEHCS-XMMPIXPASA-N 1 0 466.607 2.848 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2c(C)noc2C)CC1 ZINC000009469906 555253166 /nfs/dbraw/zinc/25/31/66/555253166.db2.gz XNLSHXIXBVGSQT-UHFFFAOYSA-N 1 0 475.615 2.860 50 0 JFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)n1 ZINC000009545237 555338035 /nfs/dbraw/zinc/33/80/35/555338035.db2.gz LAGVLNMGWCVSOY-UHFFFAOYSA-N 1 0 471.008 2.590 50 0 JFAARO Cc1cccc(Cn2c(N3CC[NH+](Cc4cc(C)ccc4C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009714226 555442679 /nfs/dbraw/zinc/44/26/79/555442679.db2.gz JJUOFMKVCQHFOF-UHFFFAOYSA-N 1 0 472.593 2.719 50 0 JFAARO Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cc(C)ccc3C)CC2)cc1 ZINC000009714291 555442688 /nfs/dbraw/zinc/44/26/88/555442688.db2.gz XXJCKHYWGTYHLB-UHFFFAOYSA-N 1 0 472.593 2.719 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(F)cc3)CC2)c1 ZINC000009714338 555443252 /nfs/dbraw/zinc/44/32/52/555443252.db2.gz WRVAWKAEJGZIND-UHFFFAOYSA-N 1 0 476.556 2.550 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCc3ccccc3)CC2)c1 ZINC000009714486 555443502 /nfs/dbraw/zinc/44/35/02/555443502.db2.gz WCHZIPTUTHJRPW-UHFFFAOYSA-N 1 0 472.593 2.605 50 0 JFAARO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000009726074 555459594 /nfs/dbraw/zinc/45/95/94/555459594.db2.gz XJQNKVPJIDSCHX-UHFFFAOYSA-N 1 0 479.610 2.857 50 0 JFAARO CCC[C@@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 ZINC000009741497 555472956 /nfs/dbraw/zinc/47/29/56/555472956.db2.gz JDVODWQPGNAQHT-HXUWFJFHSA-N 1 0 461.584 2.786 50 0 JFAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2c1CCCC2 ZINC000009747003 555478920 /nfs/dbraw/zinc/47/89/20/555478920.db2.gz LEJNCHKECBPDHL-UHFFFAOYSA-N 1 0 472.611 2.966 50 0 JFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000019890095 555529502 /nfs/dbraw/zinc/52/95/02/555529502.db2.gz XHIHNBBQTZNRPU-NRFANRHFSA-N 1 0 491.997 2.814 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109007 555644259 /nfs/dbraw/zinc/64/42/59/555644259.db2.gz UCGNAQLAYWMPNH-DQEYMECFSA-N 1 0 464.610 2.750 50 0 JFAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114998 555652640 /nfs/dbraw/zinc/65/26/40/555652640.db2.gz MNUPTASPFRZHKI-JOCHJYFZSA-N 1 0 483.613 2.712 50 0 JFAARO O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020216067 555712077 /nfs/dbraw/zinc/71/20/77/555712077.db2.gz BAQBYSHVMYBVLF-QGZVFWFLSA-N 1 0 477.656 2.569 50 0 JFAARO CC(C)(C[NH2+]C1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1)N1CCOCC1 ZINC000020234158 555725610 /nfs/dbraw/zinc/72/56/10/555725610.db2.gz CKTUHBMOVDAACZ-UHFFFAOYSA-N 1 0 451.615 2.681 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)Cc1ccccc1 ZINC000014197504 555729557 /nfs/dbraw/zinc/72/95/57/555729557.db2.gz HUNIXQPWHFYJPY-SFHVURJKSA-N 1 0 475.519 2.649 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288714 555758322 /nfs/dbraw/zinc/75/83/22/555758322.db2.gz FIMDZOILBUJIQJ-XXBNENTESA-N 1 0 489.661 2.713 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288708 555758377 /nfs/dbraw/zinc/75/83/77/555758377.db2.gz FIMDZOILBUJIQJ-AUSIDOKSSA-N 1 0 489.661 2.713 50 0 JFAARO O=C(COc1ccc(N2CC[NH+](C3CCCCC3)CC2)nn1)NC[C@H]1OCCc2ccccc21 ZINC000011783782 555814880 /nfs/dbraw/zinc/81/48/80/555814880.db2.gz APJFUOPAZZECPK-HSZRJFAPSA-N 1 0 465.598 2.740 50 0 JFAARO Cc1csc([C@H](C)N(C)C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(CC[NH+](C)C)C2=O)n1 ZINC000011784136 555815463 /nfs/dbraw/zinc/81/54/63/555815463.db2.gz CCFBCXWJIFWJAY-HJPURHCSSA-N 1 0 460.575 2.759 50 0 JFAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000011786037 555819020 /nfs/dbraw/zinc/81/90/20/555819020.db2.gz IZXZTGMTSDPFMU-LVXARBLLSA-N 1 0 495.649 2.856 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020567096 555821163 /nfs/dbraw/zinc/82/11/63/555821163.db2.gz KMFKLIKUWOSGJH-CMCWBKRRSA-N 1 0 498.377 2.918 50 0 JFAARO CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)c1ccc3ccccc3c1)CC2 ZINC000011787440 555821633 /nfs/dbraw/zinc/82/16/33/555821633.db2.gz IVJBBSPZGLYCRQ-QFIPXVFZSA-N 1 0 462.598 2.895 50 0 JFAARO CC[NH+](CC)CCN(C)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011790164 555825628 /nfs/dbraw/zinc/82/56/28/555825628.db2.gz GHLYLZVUQFHKEK-RUZDIDTESA-N 1 0 454.546 2.608 50 0 JFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000014538943 555828615 /nfs/dbraw/zinc/82/86/15/555828615.db2.gz URWSLIIXVJECSW-UHFFFAOYSA-N 1 0 452.555 2.844 50 0 JFAARO COc1cccc([C@]2(CC(=O)N3CC[C@H](c4ccc(F)cc4)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011816271 555831125 /nfs/dbraw/zinc/83/11/25/555831125.db2.gz WLVSQZKKFWHGEU-DCFHFQCYSA-N 1 0 481.568 2.799 50 0 JFAARO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)n1 ZINC000014541702 555832442 /nfs/dbraw/zinc/83/24/42/555832442.db2.gz RTJAYLPMJDZYSU-LJQANCHMSA-N 1 0 493.633 2.941 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000015001731 555846582 /nfs/dbraw/zinc/84/65/82/555846582.db2.gz COIZYSIZNHSIHC-QGZVFWFLSA-N 1 0 460.550 2.716 50 0 JFAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000011870653 555846788 /nfs/dbraw/zinc/84/67/88/555846788.db2.gz KRFSBHJGWHJIAU-QGZVFWFLSA-N 1 0 465.529 2.813 50 0 JFAARO CCOc1cc(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)ccc1OC ZINC000020775693 555847676 /nfs/dbraw/zinc/84/76/76/555847676.db2.gz HGXTZCXMHCKRGI-UHFFFAOYSA-N 1 0 453.518 2.813 50 0 JFAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000021581098 555852839 /nfs/dbraw/zinc/85/28/39/555852839.db2.gz NXDGIOXVBCDSTR-OAQYLSRUSA-N 1 0 461.559 2.504 50 0 JFAARO CC[NH+]1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)oc2=S)CC1 ZINC000022039002 555865687 /nfs/dbraw/zinc/86/56/87/555865687.db2.gz TYRYSHUVKGYHIO-UHFFFAOYSA-N 1 0 451.618 2.642 50 0 JFAARO COCCc1ccc(OC[C@H](O)C[NH+](C[C@@H](O)COc2ccc(CCOC)cc2)C(C)C)cc1 ZINC000022063144 555868324 /nfs/dbraw/zinc/86/83/24/555868324.db2.gz FPFJXNCXQDHWGC-JWQCQUIFSA-N 1 0 475.626 2.954 50 0 in-vitro JFAARO COCCc1ccc(OC[C@H](O)C[N@H+](C[C@H](O)COc2ccc(CCOC)cc2)C(C)C)cc1 ZINC000022063142 555868459 /nfs/dbraw/zinc/86/84/59/555868459.db2.gz FPFJXNCXQDHWGC-PLQXJYEYSA-N 1 0 475.626 2.954 50 0 in-vitro JFAARO COc1ccccc1-n1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cn1 ZINC000011964674 555871239 /nfs/dbraw/zinc/87/12/39/555871239.db2.gz SUEZVGYACMELFW-OFNKIYASSA-N 1 0 454.571 2.690 50 0 JFAARO CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)c1cccc3ccccc31)CC2 ZINC000011967283 555872614 /nfs/dbraw/zinc/87/26/14/555872614.db2.gz IHRCDNXPILFCTH-QFIPXVFZSA-N 1 0 462.598 2.895 50 0 JFAARO Cc1nn(C)c(C)c1CN(C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O)C(C)C ZINC000012001536 555882438 /nfs/dbraw/zinc/88/24/38/555882438.db2.gz MNGRNRYNBOYASM-AREMUKBSSA-N 1 0 485.604 2.562 50 0 JFAARO COc1ccc(-n2nnnc2SCC(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000015276126 555892014 /nfs/dbraw/zinc/89/20/14/555892014.db2.gz MFOMDGQAIVKJQL-TZIWHRDSSA-N 1 0 450.568 2.906 50 0 JFAARO COc1cccc(N2CCN(C(=O)CC[C@H]3C[N@H+](CC(C)C)CC[C@H]3N3CCOCC3)CC2)c1 ZINC000012097579 555904832 /nfs/dbraw/zinc/90/48/32/555904832.db2.gz JWVVMNAHAKQMKB-JYFHCDHNSA-N 1 0 472.674 2.803 50 0 JFAARO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000012132386 555912257 /nfs/dbraw/zinc/91/22/57/555912257.db2.gz ROHDLGRJRIRGCS-JOCHJYFZSA-N 1 0 460.538 2.898 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000022284917 555917665 /nfs/dbraw/zinc/91/76/65/555917665.db2.gz HSONEKMGGHHQLY-OSPHWJPCSA-N 1 0 454.575 2.817 50 0 JFAARO C[NH+](C)CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140822 555919862 /nfs/dbraw/zinc/91/98/62/555919862.db2.gz LPLKRBYMJFMLGE-UHFFFAOYSA-N 1 0 480.546 2.929 50 0 JFAARO CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022914182 555969442 /nfs/dbraw/zinc/96/94/42/555969442.db2.gz QDAHBSOOGOEZQB-SANMLTNESA-N 1 0 450.627 2.763 50 0 JFAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2)cc1 ZINC000022924500 555976898 /nfs/dbraw/zinc/97/68/98/555976898.db2.gz FQLFAFDPUPWCMG-UHFFFAOYSA-N 1 0 456.612 2.649 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2C)CC1 ZINC000012544234 556020226 /nfs/dbraw/zinc/02/02/26/556020226.db2.gz SYOZPYMFOVWZKZ-JOCHJYFZSA-N 1 0 486.638 2.847 50 0 JFAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Br)cc2)c1 ZINC000015864162 556038856 /nfs/dbraw/zinc/03/88/56/556038856.db2.gz YDXHUULSFPUAON-UHFFFAOYSA-N 1 0 460.372 2.922 50 0 JFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012573674 556074531 /nfs/dbraw/zinc/07/45/31/556074531.db2.gz XWCIQMFTPBSYFN-JBRYUMJCSA-N 1 0 481.618 2.864 50 0 JFAARO O=c1ccc(-c2ccc(S(=O)(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)s2)n[nH]1 ZINC000015942651 556077547 /nfs/dbraw/zinc/07/75/47/556077547.db2.gz XUARGMNQTNTEFF-UHFFFAOYSA-N 1 0 462.572 2.828 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023702924 556084630 /nfs/dbraw/zinc/08/46/30/556084630.db2.gz UGNLFYQVEMAHNE-UHFFFAOYSA-N 1 0 463.644 2.555 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016012965 556112081 /nfs/dbraw/zinc/11/20/81/556112081.db2.gz TZVJECOHDLDMLO-IQXSCUCBSA-N 1 0 471.488 2.695 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021822 556114059 /nfs/dbraw/zinc/11/40/59/556114059.db2.gz PQDAMNOGOAJFQD-DFIMXKNXSA-N 1 0 485.515 2.737 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024629 556115361 /nfs/dbraw/zinc/11/53/61/556115361.db2.gz YUKOQZBTSJQSDD-DICRZQGBSA-N 1 0 466.401 2.723 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000016024849 556115666 /nfs/dbraw/zinc/11/56/66/556115666.db2.gz HPPFOODLIUSOOA-IFOBJOEFSA-N 1 0 497.979 2.976 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024885 556115728 /nfs/dbraw/zinc/11/57/28/556115728.db2.gz XZIVEQWPLWUYGI-GVPVYCASSA-N 1 0 453.926 2.807 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012907342 556126226 /nfs/dbraw/zinc/12/62/26/556126226.db2.gz XBKDCABGCAJCNQ-QHCPKHFHSA-N 1 0 457.596 2.629 50 0 JFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000016784218 556159537 /nfs/dbraw/zinc/15/95/37/556159537.db2.gz GGJPTOAMVJHZIB-UHFFFAOYSA-N 1 0 462.616 2.850 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1cccs1 ZINC000012976597 556169408 /nfs/dbraw/zinc/16/94/08/556169408.db2.gz TUAXKVRFXMPOQH-SFHVURJKSA-N 1 0 457.568 2.846 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000012994405 556186862 /nfs/dbraw/zinc/18/68/62/556186862.db2.gz VUBLDNSEXISHRD-DLQTWLKSSA-N 1 0 458.559 2.667 50 0 JFAARO COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2nc(N3CCCC3)cc(C)[nH+]2)CC1 ZINC000017010283 556199675 /nfs/dbraw/zinc/19/96/75/556199675.db2.gz DMMBMWVANBMMRL-UHFFFAOYSA-N 1 0 466.007 2.867 50 0 JFAARO CC(C)(CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025463430 556217305 /nfs/dbraw/zinc/21/73/05/556217305.db2.gz GKBCULAFVTYECX-QFIPXVFZSA-N 1 0 471.623 2.711 50 0 JFAARO CCOc1c(C)cc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1C ZINC000017306970 556254365 /nfs/dbraw/zinc/25/43/65/556254365.db2.gz PEPFYLIXFMNPRW-UHFFFAOYSA-N 1 0 459.616 2.912 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000018155307 556295183 /nfs/dbraw/zinc/29/51/83/556295183.db2.gz HDMHJKBCBGGPAR-ZUVQJFRASA-N 1 0 457.461 2.699 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000027678450 556304030 /nfs/dbraw/zinc/30/40/30/556304030.db2.gz LQMIWVNQVYXZHY-HNNXBMFYSA-N 1 0 465.519 2.734 50 0 JFAARO C[NH+]1CCN(C[C@@H](CN2C(=O)c3ccccc3C2=O)OC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000028293215 556329287 /nfs/dbraw/zinc/32/92/87/556329287.db2.gz XXVFFGVZIQINDP-ZBWUASRJSA-N 1 0 467.953 2.809 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 ZINC000013128430 556347625 /nfs/dbraw/zinc/34/76/25/556347625.db2.gz VHCVEANVMVBMGN-QFIPXVFZSA-N 1 0 487.622 2.668 50 0 JFAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2)CC1 ZINC000013128783 556349022 /nfs/dbraw/zinc/34/90/22/556349022.db2.gz RMCYSYFKLRPBCT-UHFFFAOYSA-N 1 0 462.660 2.541 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c(O)c2c1 ZINC000006181398 562937102 /nfs/dbraw/zinc/93/71/02/562937102.db2.gz DTVKRZUTARXFCC-QGZVFWFLSA-N 1 0 462.616 2.965 50 0 JFAARO CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCC([NH+]3CCCCC3)CC2)=C1C(=O)OC ZINC000057415690 569601108 /nfs/dbraw/zinc/60/11/08/569601108.db2.gz WIFXIAQHKGTJDU-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO COc1cc(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000032974292 569605475 /nfs/dbraw/zinc/60/54/75/569605475.db2.gz XPWVNMAUUUMQIS-UHFFFAOYSA-N 1 0 461.603 2.947 50 0 JFAARO CCCCn1c(CCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000060374151 569608939 /nfs/dbraw/zinc/60/89/39/569608939.db2.gz OTMONQSZGUBBRH-LJQANCHMSA-N 1 0 475.659 2.716 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000062273500 569610433 /nfs/dbraw/zinc/61/04/33/569610433.db2.gz JPUQYBNIHLWQLQ-LJQANCHMSA-N 1 0 497.621 2.919 50 0 JFAARO C[NH+]1CCN(c2ncccc2CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CC1 ZINC000062569377 569611270 /nfs/dbraw/zinc/61/12/70/569611270.db2.gz NJLGHBLAWBZDJY-UHFFFAOYSA-N 1 0 480.619 2.650 50 0 JFAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613431 569612929 /nfs/dbraw/zinc/61/29/29/569612929.db2.gz CENZDJFXGCBZDC-DLBZAZTESA-N 1 0 487.066 2.936 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000062620551 569613215 /nfs/dbraw/zinc/61/32/15/569613215.db2.gz UVFOIWQBINBUDZ-COPCDDAFSA-N 1 0 493.670 2.968 50 0 JFAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CCC(N)=O)[NH2+][C@@]23c2cc(Cl)cc(C)c2NC3=O)cc1 ZINC000064198346 569616397 /nfs/dbraw/zinc/61/63/97/569616397.db2.gz DNDWTOVLINBWLH-WIRVKHDMSA-N 1 0 456.930 2.687 50 0 JFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024600 569620095 /nfs/dbraw/zinc/62/00/95/569620095.db2.gz FIVRGBJQCIISBD-KRWDZBQOSA-N 1 0 484.626 2.633 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)CC1 ZINC000033332056 569624681 /nfs/dbraw/zinc/62/46/81/569624681.db2.gz JICBZOWJLMYIHC-UHFFFAOYSA-N 1 0 488.430 2.551 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(-n2nnc3cccnc32)c1 ZINC000064925432 569646552 /nfs/dbraw/zinc/64/65/52/569646552.db2.gz MCZJLWHFZAJPDK-UHFFFAOYSA-N 1 0 455.566 2.753 50 0 JFAARO O=C(NC1CCCCCC1)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025110 569650361 /nfs/dbraw/zinc/65/03/61/569650361.db2.gz QPOCKDKEBXQTTI-UHFFFAOYSA-N 1 0 475.590 2.884 50 0 JFAARO CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025098 569650403 /nfs/dbraw/zinc/65/04/03/569650403.db2.gz ADXFWXJEUWHXIS-UHFFFAOYSA-N 1 0 466.007 2.818 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000065025175 569650406 /nfs/dbraw/zinc/65/04/06/569650406.db2.gz ANPXRGTXDGHMLE-UHFFFAOYSA-N 1 0 457.600 2.663 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000065061515 569655533 /nfs/dbraw/zinc/65/55/33/569655533.db2.gz TZRVOECVLNNFTA-KRWDZBQOSA-N 1 0 454.637 2.711 50 0 JFAARO COCCN(C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740639 569655565 /nfs/dbraw/zinc/65/55/65/569655565.db2.gz HZKUIXGWKRCXFI-IRLDBZIGSA-N 1 0 470.566 2.761 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062301 569655779 /nfs/dbraw/zinc/65/57/79/569655779.db2.gz UBDBYEVALQRIHQ-QGZVFWFLSA-N 1 0 491.123 2.582 50 0 JFAARO C[C@H](C(=O)NCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000065062452 569655957 /nfs/dbraw/zinc/65/59/57/569655957.db2.gz RSPYOTHMWIOTSZ-AWEZNQCLSA-N 1 0 478.478 2.759 50 0 JFAARO O=C(CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NCC[NH+]1CCCC1 ZINC000065062383 569655971 /nfs/dbraw/zinc/65/59/71/569655971.db2.gz USYDCDWKGQKHHC-UHFFFAOYSA-N 1 0 464.451 2.513 50 0 JFAARO COc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)cc1 ZINC000065074826 569657407 /nfs/dbraw/zinc/65/74/07/569657407.db2.gz ZBFNYDZNFLFAFS-UHFFFAOYSA-N 1 0 456.612 2.627 50 0 biogenic JFAARO CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc3c(c2)OCO3)cc1 ZINC000065074841 569657484 /nfs/dbraw/zinc/65/74/84/569657484.db2.gz VRSCUVNFOKSUEX-UHFFFAOYSA-N 1 0 484.622 2.854 50 0 biogenic JFAARO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc2c(c1)OCO2 ZINC000065074789 569657491 /nfs/dbraw/zinc/65/74/91/569657491.db2.gz GQSAAZONOBJMMA-UHFFFAOYSA-N 1 0 496.633 2.609 50 0 biogenic JFAARO C[NH+](C)CCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000065080478 569659580 /nfs/dbraw/zinc/65/95/80/569659580.db2.gz ZYMHSMXXPVSNSL-UHFFFAOYSA-N 1 0 465.529 2.735 50 0 JFAARO CCOC(=O)CNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C1CC1 ZINC000034835854 569665077 /nfs/dbraw/zinc/66/50/77/569665077.db2.gz QJAIWPRVVKRCHH-UHFFFAOYSA-N 1 0 486.592 2.699 50 0 JFAARO O=C([C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065314150 569672291 /nfs/dbraw/zinc/67/22/91/569672291.db2.gz CSXPHFUSXOMSRU-HSZRJFAPSA-N 1 0 463.626 2.985 50 0 JFAARO CC1CC[NH+](CCNC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)no2)CC1 ZINC000065319254 569673871 /nfs/dbraw/zinc/67/38/71/569673871.db2.gz IDQZCAJOTLKRLT-UHFFFAOYSA-N 1 0 475.615 2.763 50 0 JFAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc(N2CCCC2)[nH+]1 ZINC000065362496 569675170 /nfs/dbraw/zinc/67/51/70/569675170.db2.gz YSJQSSKONSJDAY-UHFFFAOYSA-N 1 0 455.506 2.915 50 0 JFAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000065362439 569675180 /nfs/dbraw/zinc/67/51/80/569675180.db2.gz AWZIUFPXMVLUIH-UHFFFAOYSA-N 1 0 450.465 2.995 50 0 JFAARO COc1cc(OC)c(NC(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1Cl ZINC000065362739 569675195 /nfs/dbraw/zinc/67/51/95/569675195.db2.gz MKBHHDSGJSRYMS-UHFFFAOYSA-N 1 0 476.965 2.646 50 0 JFAARO Cc1nc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000065365431 569675500 /nfs/dbraw/zinc/67/55/00/569675500.db2.gz QOLZFVPERXERBI-UHFFFAOYSA-N 1 0 455.506 2.915 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285897 569683614 /nfs/dbraw/zinc/68/36/14/569683614.db2.gz LGKVVQYQNBSDBC-DEOSSOPVSA-N 1 0 486.613 2.825 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287489 569684495 /nfs/dbraw/zinc/68/44/95/569684495.db2.gz LNPVGFNDIDXQGQ-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO CCOc1ccccc1[C@H]1NC(=O)NC(CN2CC[NH+](C3CCCCC3)CC2)=C1C(=O)OC ZINC000067287901 569684800 /nfs/dbraw/zinc/68/48/00/569684800.db2.gz UIBHLKNWDJBJMQ-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO Cn1ncc2c3ccccc3n(CCCC(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c2c1=O ZINC000035397016 569687817 /nfs/dbraw/zinc/68/78/17/569687817.db2.gz QUBQEDSLZPWFRC-UHFFFAOYSA-N 1 0 486.620 2.997 50 0 JFAARO CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000035428716 569694706 /nfs/dbraw/zinc/69/47/06/569694706.db2.gz JQIHTJLUMNQDLP-OAQYLSRUSA-N 1 0 473.643 2.646 50 0 JFAARO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C(C)C)cc1 ZINC000070036786 569695013 /nfs/dbraw/zinc/69/50/13/569695013.db2.gz IZKAJIHNIDJEGO-REWPJTCUSA-N 1 0 465.660 2.969 50 0 JFAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)n2C)c1 ZINC000035446569 569695902 /nfs/dbraw/zinc/69/59/02/569695902.db2.gz UYKWHFDJJSWWHV-UHFFFAOYSA-N 1 0 454.596 2.607 50 0 JFAARO Cc1ccc(-c2ccc(N3CCC([NH+]4CCCCC4)CC3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000035454870 569697603 /nfs/dbraw/zinc/69/76/03/569697603.db2.gz RNOVCIWDYFHSIT-UHFFFAOYSA-N 1 0 485.654 2.928 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000072434105 569704056 /nfs/dbraw/zinc/70/40/56/569704056.db2.gz BAWUUMKPDMSHLR-UHFFFAOYSA-N 1 0 474.602 2.758 50 0 JFAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000035561402 569704438 /nfs/dbraw/zinc/70/44/38/569704438.db2.gz NUXYGIWNHBRXME-UHFFFAOYSA-N 1 0 454.596 2.766 50 0 JFAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000079492100 569707593 /nfs/dbraw/zinc/70/75/93/569707593.db2.gz LTFPDFGXOLZULY-UHFFFAOYSA-N 1 0 468.598 2.513 50 0 JFAARO C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(C[NH+]4CCC(C(N)=O)CC4)c3)cn2)C[C@H](C)O1 ZINC000095360824 569722706 /nfs/dbraw/zinc/72/27/06/569722706.db2.gz ZMRGJGIOFIEAKO-HDICACEKSA-N 1 0 451.571 2.645 50 0 JFAARO O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000035908066 569723817 /nfs/dbraw/zinc/72/38/17/569723817.db2.gz HHKVYXMKMZHDRG-GGAORHGYSA-N 1 0 480.575 2.759 50 0 JFAARO O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000035908065 569723846 /nfs/dbraw/zinc/72/38/46/569723846.db2.gz HHKVYXMKMZHDRG-GMAHTHKFSA-N 1 0 480.575 2.759 50 0 JFAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313413 569760801 /nfs/dbraw/zinc/76/08/01/569760801.db2.gz PKTVOZQHUAKBMD-OALUTQOASA-N 1 0 463.550 2.696 50 0 JFAARO O=C(NC[C@@H]1CCCO1)c1cnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000036314116 569761791 /nfs/dbraw/zinc/76/17/91/569761791.db2.gz PPLCUYQOIWMHTH-QFIPXVFZSA-N 1 0 473.577 2.590 50 0 JFAARO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000036390287 569774430 /nfs/dbraw/zinc/77/44/30/569774430.db2.gz IBLNARIJEJOYDV-CRAIPNDOSA-N 1 0 460.438 2.743 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(OC)cc3)cc21 ZINC000037511400 569791590 /nfs/dbraw/zinc/79/15/90/569791590.db2.gz OLNGSMVJJLJBJI-GOSISDBHSA-N 1 0 483.565 2.529 50 0 JFAARO CC[NH+](CC)CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3F)cc21 ZINC000037512396 569792150 /nfs/dbraw/zinc/79/21/50/569792150.db2.gz DYHWSULPQSILMY-UHFFFAOYSA-N 1 0 491.947 2.924 50 0 JFAARO O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)NCC[NH+]1CCCCC1 ZINC000037512783 569792474 /nfs/dbraw/zinc/79/24/74/569792474.db2.gz MRKACKGASJZRPI-UHFFFAOYSA-N 1 0 487.503 2.554 50 0 JFAARO COc1cc(C)ccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NCC[NH+]1CCCCC1)C(=O)CO2 ZINC000037512980 569792634 /nfs/dbraw/zinc/79/26/34/569792634.db2.gz RDGPWVJRWHUZCV-UHFFFAOYSA-N 1 0 495.576 2.593 50 0 JFAARO CC(C)[N@H+](CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000103869025 569838684 /nfs/dbraw/zinc/83/86/84/569838684.db2.gz JOZMPOMLHIMARO-LEWJYISDSA-N 1 0 490.651 2.529 50 0 JFAARO CN(CCC(=O)NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000104396221 569845604 /nfs/dbraw/zinc/84/56/04/569845604.db2.gz UOKGBXOUTBANPT-VXKWHMMOSA-N 1 0 497.592 2.970 50 0 JFAARO C[C@H](CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000105722750 569853394 /nfs/dbraw/zinc/85/33/94/569853394.db2.gz DMUVQGACGFQXQK-BRWVUGGUSA-N 1 0 451.614 2.705 50 0 JFAARO O=C(c1ccc(F)cc1)N(CC1CC1)C[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000169678823 569869317 /nfs/dbraw/zinc/86/93/17/569869317.db2.gz FBWVPOASIZYBBN-JWQCQUIFSA-N 1 0 456.558 2.956 50 0 JFAARO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC000229576218 570040574 /nfs/dbraw/zinc/04/05/74/570040574.db2.gz IGEINUXKIDZWTK-JYPPEDEUSA-N 1 0 458.559 2.794 50 0 JFAARO CCOc1ccc2ccccc2c1C(=O)NCCN1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000244909742 570054285 /nfs/dbraw/zinc/05/42/85/570054285.db2.gz ATKPQJQJULRIGM-OAQYLSRUSA-N 1 0 457.615 2.762 50 0 JFAARO CO[C@@H](COC(C)(C)C)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000244933247 570054368 /nfs/dbraw/zinc/05/43/68/570054368.db2.gz CITGAUYXNJMNPJ-HXUWFJFHSA-N 1 0 453.583 2.884 50 0 JFAARO O=C(c1cc2n(n1)CCCO2)N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1 ZINC000245026582 570054509 /nfs/dbraw/zinc/05/45/09/570054509.db2.gz NBLLBJLCXFHBRO-UHFFFAOYSA-N 1 0 464.492 2.506 50 0 JFAARO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)C1=O ZINC000245237244 570057221 /nfs/dbraw/zinc/05/72/21/570057221.db2.gz GWYSRCTZTZGSET-NBGIEHNGSA-N 1 0 466.538 2.729 50 0 JFAARO CC[C@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000245327088 570065104 /nfs/dbraw/zinc/06/51/04/570065104.db2.gz IUKYSHHMPQLMND-PGRDOPGGSA-N 1 0 462.612 2.981 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248214756 570076345 /nfs/dbraw/zinc/07/63/45/570076345.db2.gz FUUWESJRHWQYMX-UECWXEIQSA-N 1 0 453.926 2.809 50 0 JFAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000253389763 570095675 /nfs/dbraw/zinc/09/56/75/570095675.db2.gz LHDDXPFSFBAXCS-NHCUHLMSSA-N 1 0 463.550 2.696 50 0 JFAARO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253426680 570098759 /nfs/dbraw/zinc/09/87/59/570098759.db2.gz IEPQIYNTIZDYDW-FQEVSTJZSA-N 1 0 470.035 2.643 50 0 JFAARO O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253535689 570103543 /nfs/dbraw/zinc/10/35/43/570103543.db2.gz AZLAMAJGRJSGCD-WTIAFYNJSA-N 1 0 465.598 2.996 50 0 JFAARO COc1ccc(CCN2C[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1OC ZINC000257198545 570107349 /nfs/dbraw/zinc/10/73/49/570107349.db2.gz CBTONCXVHJOHKF-BHDDXSALSA-N 1 0 457.615 2.818 50 0 biogenic JFAARO Cc1ccccc1[C@@]1(CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC(=O)N(Cc2cccnc2)C1=O ZINC000299770486 570175831 /nfs/dbraw/zinc/17/58/31/570175831.db2.gz VYCQYFZWLNXPJS-YIXXDRMTSA-N 1 0 462.594 2.776 50 0 JFAARO COc1ccc([C@]2(CC(=O)N(C)C[C@H]3CC[N@H+](CC(C)C)C3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000299771564 570175849 /nfs/dbraw/zinc/17/58/49/570175849.db2.gz QYUPJIHYOKRQEZ-BCHFMIIMSA-N 1 0 455.599 2.681 50 0 JFAARO CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCC[NH+](C)C)cc1 ZINC000003670433 194357931 /nfs/dbraw/zinc/35/79/31/194357931.db2.gz ZCEHCNJKCHFZJE-NRFANRHFSA-N 1 0 477.359 2.723 50 0 JFAARO COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+](C)C)c1 ZINC000003670623 194358526 /nfs/dbraw/zinc/35/85/26/194358526.db2.gz IXZXBVMNFFIAON-OAQYLSRUSA-N 1 0 477.359 2.723 50 0 JFAARO Cc1n(Cc2cc(=O)n3cc(C)ccc3n2)c2ccccc2[n+]1Cc1cc(=O)n2cc(C)ccc2n1 ZINC000012697572 195090799 /nfs/dbraw/zinc/09/07/99/195090799.db2.gz LDEBFZNNPJJYQI-UHFFFAOYSA-N 1 0 477.548 2.966 50 0 JFAARO CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766970 195114484 /nfs/dbraw/zinc/11/44/84/195114484.db2.gz WTVSXZMCWHBPMN-HXUWFJFHSA-N 1 0 474.403 2.989 50 0 JFAARO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)C1CC[NH+](CC)CC1 ZINC000012783605 195126101 /nfs/dbraw/zinc/12/61/01/195126101.db2.gz IWLNNUVPTDYCKI-UHFFFAOYSA-N 1 0 466.648 2.615 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3ccc(C)c2C)cc1 ZINC000012890108 195172214 /nfs/dbraw/zinc/17/22/14/195172214.db2.gz JKOSDNYQCOIACX-QYNSMDLWSA-N 1 0 451.523 2.625 50 0 biogenic JFAARO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21 ZINC000020686717 195205254 /nfs/dbraw/zinc/20/52/54/195205254.db2.gz UVWYKXSMHRSXEK-MSOLQXFVSA-N 1 0 474.627 2.695 50 0 JFAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000020688061 195205416 /nfs/dbraw/zinc/20/54/16/195205416.db2.gz INCSJUPFDNKNPN-UHFFFAOYSA-N 1 0 476.687 2.500 50 0 JFAARO CC[NH+](CC)CCCNC(=O)c1sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1C ZINC000020758001 195216970 /nfs/dbraw/zinc/21/69/70/195216970.db2.gz PBWGWXQDXHFMOZ-IAGOWNOFSA-N 1 0 475.659 2.733 50 0 JFAARO CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4nccs4)c(OC)cc(=O)n3CC2)o1 ZINC000020777326 195224069 /nfs/dbraw/zinc/22/40/69/195224069.db2.gz PPGRSAYGGNDCNJ-UHFFFAOYSA-N 1 0 456.568 2.799 50 0 JFAARO Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 ZINC000020777475 195224145 /nfs/dbraw/zinc/22/41/45/195224145.db2.gz JFQQNSZKJKEOAL-QGZVFWFLSA-N 1 0 483.594 2.704 50 0 JFAARO CC(C)Cn1cc(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c2ccccc2c1=O ZINC000020941508 195256081 /nfs/dbraw/zinc/25/60/81/195256081.db2.gz XTZKVDZDWIFYNT-UHFFFAOYSA-N 1 0 453.587 2.995 50 0 JFAARO Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020943985 195256319 /nfs/dbraw/zinc/25/63/19/195256319.db2.gz GSEXEGWAOYXJLE-UHFFFAOYSA-N 1 0 473.021 2.690 50 0 JFAARO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccccc1 ZINC000021026881 195269135 /nfs/dbraw/zinc/26/91/35/195269135.db2.gz SHZSZCOMVXRYSA-HXUWFJFHSA-N 1 0 470.643 2.910 50 0 JFAARO CN1c2cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021087768 195273826 /nfs/dbraw/zinc/27/38/26/195273826.db2.gz AIJIIFRIKOFXQA-RUZDIDTESA-N 1 0 475.637 2.960 50 0 JFAARO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1)Cc1ccccc1 ZINC000021148471 195281764 /nfs/dbraw/zinc/28/17/64/195281764.db2.gz HLVKOYQTIZWEAM-HXUWFJFHSA-N 1 0 468.627 2.704 50 0 JFAARO O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000021525849 195304627 /nfs/dbraw/zinc/30/46/27/195304627.db2.gz LTOKYUIWFZJPDF-UHFFFAOYSA-N 1 0 476.625 2.714 50 0 JFAARO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000021903706 195329136 /nfs/dbraw/zinc/32/91/36/195329136.db2.gz VYEHICJLDQHTHN-UHFFFAOYSA-N 1 0 451.633 2.724 50 0 JFAARO COc1ccc(-n2cnnc2SCC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000058378502 195378940 /nfs/dbraw/zinc/37/89/40/195378940.db2.gz KTDHPPNLSLROTQ-QZTJIDSGSA-N 1 0 459.616 2.716 50 0 JFAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000058115449 195365045 /nfs/dbraw/zinc/36/50/45/195365045.db2.gz MHMSKRFETXLHCB-UHFFFAOYSA-N 1 0 476.687 2.928 50 0 JFAARO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000058141270 195366661 /nfs/dbraw/zinc/36/66/61/195366661.db2.gz NJQGTFCIRPVXAG-UHFFFAOYSA-N 1 0 450.495 2.727 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000058159495 195368501 /nfs/dbraw/zinc/36/85/01/195368501.db2.gz HLPMHYUGSMHSSS-UWJYYQICSA-N 1 0 460.600 2.644 50 0 JFAARO CC(C)Cc1ccc(S(=O)(=O)N(CCCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974658 519441001 /nfs/dbraw/zinc/44/10/01/519441001.db2.gz SOTAJJJBTPRGMJ-UHFFFAOYSA-N 1 0 457.640 2.940 50 0 JFAARO CC(=O)NCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014743795 519666474 /nfs/dbraw/zinc/66/64/74/519666474.db2.gz GUTWXSGWZREDCZ-VQTJNVASSA-N 1 0 478.515 2.870 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000033254606 519729929 /nfs/dbraw/zinc/72/99/29/519729929.db2.gz HBBHSADADIUBAM-UHFFFAOYSA-N 1 0 490.670 2.913 50 0 JFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 ZINC000022693752 519730598 /nfs/dbraw/zinc/73/05/98/519730598.db2.gz NGEOHWDCXFJCOY-CQSZACIVSA-N 1 0 464.415 2.521 50 0 JFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC000033275449 519897333 /nfs/dbraw/zinc/89/73/33/519897333.db2.gz PKYJCHSQRHNVPH-UHFFFAOYSA-N 1 0 454.955 2.829 50 0 JFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000033034225 519898576 /nfs/dbraw/zinc/89/85/76/519898576.db2.gz FZJZZXUMSXXCOR-UHFFFAOYSA-N 1 0 450.992 2.999 50 0 JFAARO CCOC(=O)N1CCC([NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3CC)CC1 ZINC000014731980 520923726 /nfs/dbraw/zinc/92/37/26/520923726.db2.gz NKXBMTVVRXCNRX-UHFFFAOYSA-N 1 0 471.602 2.754 50 0 JFAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000036245900 520937609 /nfs/dbraw/zinc/93/76/09/520937609.db2.gz SITHYZYGBPWPBT-PKTZIBPZSA-N 1 0 472.630 2.862 50 0 JFAARO CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000008789264 521108539 /nfs/dbraw/zinc/10/85/39/521108539.db2.gz DYSGQTLRJDBXLQ-DQEYMECFSA-N 1 0 492.620 2.742 50 0 biogenic JFAARO CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC)CC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033554 521207282 /nfs/dbraw/zinc/20/72/82/521207282.db2.gz RWDZICNYJPMAAU-UHFFFAOYSA-N 1 0 460.600 2.778 50 0 JFAARO CCC[C@]1(C2CCN(C(=O)C=Cc3ccccn3)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000012246986 521312105 /nfs/dbraw/zinc/31/21/05/521312105.db2.gz MACHVWYNGKTXRH-UDYSNKEISA-N 1 0 467.614 2.908 50 0 JFAARO CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033735 521411256 /nfs/dbraw/zinc/41/12/56/521411256.db2.gz VFTBMELJOCPCQK-OAQYLSRUSA-N 1 0 486.638 2.758 50 0 JFAARO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C(C)C)CC1)n(-c1cc(OC)cc(OC)c1)c2=O ZINC000049006464 522184960 /nfs/dbraw/zinc/18/49/60/522184960.db2.gz AOBYFRNTDCWPCM-UHFFFAOYSA-N 1 0 466.538 2.720 50 0 JFAARO COc1cc(C[N@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)ccc1OCc1ccccc1 ZINC000020449619 522399913 /nfs/dbraw/zinc/39/99/13/522399913.db2.gz HPXPXYJIVCNZQT-QFIPXVFZSA-N 1 0 491.592 2.577 50 0 JFAARO C[N@H+](CCCNC(=O)C1CCN(c2nn3c(nc4c(c3=O)CCCC4)s2)CC1)Cc1ccccc1 ZINC000021664187 522758243 /nfs/dbraw/zinc/75/82/43/522758243.db2.gz YRICQOTYEMXGAB-UHFFFAOYSA-N 1 0 494.665 2.885 50 0 JFAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(OC)c(C)c1OC)CC2 ZINC000014888354 522777858 /nfs/dbraw/zinc/77/78/58/522777858.db2.gz RRXGLOVCPLTDBH-LJQANCHMSA-N 1 0 459.591 2.512 50 0 JFAARO CCn1c(=O)c(N2CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)nc2cccnc21 ZINC000033259410 523100188 /nfs/dbraw/zinc/10/01/88/523100188.db2.gz YVDUHCUUIUPVGX-OAQYLSRUSA-N 1 0 474.609 2.809 50 0 JFAARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(C(=O)OC)cc1)CC2 ZINC000014733182 523799916 /nfs/dbraw/zinc/79/99/16/523799916.db2.gz PZEFDVQJHOBPRL-UHFFFAOYSA-N 1 0 491.588 2.886 50 0 JFAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(C(=O)OC)cc1)CC2 ZINC000014539493 523801524 /nfs/dbraw/zinc/80/15/24/523801524.db2.gz CRHKFWNGCWFYFU-UHFFFAOYSA-N 1 0 479.577 2.961 50 0 JFAARO COCCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O ZINC000012283077 523805156 /nfs/dbraw/zinc/80/51/56/523805156.db2.gz HUXXSCJMBJWNHS-MHZLTWQESA-N 1 0 497.567 2.989 50 0 JFAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(OC)cc2C)CN1C1Cc2ccccc2C1 ZINC000023359595 523914889 /nfs/dbraw/zinc/91/48/89/523914889.db2.gz RGVZSGOZFLIEHX-ZCYQVOJMSA-N 1 0 451.611 2.775 50 0 JFAARO COc1ccc(CCNC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)c(OC)c1 ZINC000033048289 523972807 /nfs/dbraw/zinc/97/28/07/523972807.db2.gz KYTGRDOOXAXRCU-UHFFFAOYSA-N 1 0 455.584 2.741 50 0 JFAARO COc1ccc(CCNC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)cc1OC ZINC000033048210 523972921 /nfs/dbraw/zinc/97/29/21/523972921.db2.gz JRRFLMKPZUVBQW-UHFFFAOYSA-N 1 0 455.584 2.741 50 0 JFAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020393101 524023698 /nfs/dbraw/zinc/02/36/98/524023698.db2.gz NKCLGEDTMSNPLB-UHFFFAOYSA-N 1 0 494.548 2.838 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000011788333 524039708 /nfs/dbraw/zinc/03/97/08/524039708.db2.gz CDTYFAZDXMYXHJ-GOSISDBHSA-N 1 0 465.554 2.610 50 0 JFAARO C[C@@H](CCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O)[NH+]1CCCC1 ZINC000033068622 524489198 /nfs/dbraw/zinc/48/91/98/524489198.db2.gz VJVRSGCBYKLSNH-SFHVURJKSA-N 1 0 468.985 2.856 50 0 JFAARO Cc1cc(C)n(CCC(=O)N2CCC([C@H](Cc3ccccc3)N(C)C(=O)C[NH+](C)C)CC2)n1 ZINC000014961801 524514577 /nfs/dbraw/zinc/51/45/77/524514577.db2.gz GMXCHXANSGMFPW-DEOSSOPVSA-N 1 0 453.631 2.760 50 0 JFAARO Cc1ccc(Cn2c3ccccc3n(CCC(=O)NCC[NH+]3CCCCCC3)c(=O)c2=O)cc1 ZINC000033106771 524768479 /nfs/dbraw/zinc/76/84/79/524768479.db2.gz GGBYTZIGZDDSDB-UHFFFAOYSA-N 1 0 462.594 2.902 50 0 JFAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C ZINC000014748543 524899955 /nfs/dbraw/zinc/89/99/55/524899955.db2.gz BSVHXIBFRPNZKN-SFHVURJKSA-N 1 0 450.539 2.918 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000022759586 525019650 /nfs/dbraw/zinc/01/96/50/525019650.db2.gz PMQLZLCHIXIMFM-LJQANCHMSA-N 1 0 451.614 2.577 50 0 JFAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033034250 525078569 /nfs/dbraw/zinc/07/85/69/525078569.db2.gz NVPJOIHYEYZWIY-UHFFFAOYSA-N 1 0 488.610 2.587 50 0 JFAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795003 525186571 /nfs/dbraw/zinc/18/65/71/525186571.db2.gz DPFRHMWILNSGNX-HXUWFJFHSA-N 1 0 468.417 2.725 50 0 JFAARO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1OC ZINC000022698291 525381564 /nfs/dbraw/zinc/38/15/64/525381564.db2.gz MPFPGRXGTHHMKS-XMMPIXPASA-N 1 0 453.539 2.858 50 0 JFAARO Cc1c(C(=O)NCCN2CCCc3ccccc32)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048305 525612607 /nfs/dbraw/zinc/61/26/07/525612607.db2.gz KECHSSSCBJKZJF-UHFFFAOYSA-N 1 0 450.612 2.934 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCC3)c2)cc1C ZINC000065025239 525618227 /nfs/dbraw/zinc/61/82/27/525618227.db2.gz ABHNIGLNRZCXDH-UHFFFAOYSA-N 1 0 471.627 2.971 50 0 JFAARO COc1cccc(-n2c(CNC(=O)c3cc(OC)ccc3OC)nnc2SCC[NH+](C)C)c1 ZINC000012217686 525745556 /nfs/dbraw/zinc/74/55/56/525745556.db2.gz RSJRPKYBYZINRR-UHFFFAOYSA-N 1 0 471.583 2.877 50 0 JFAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCCN1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000020466165 526166875 /nfs/dbraw/zinc/16/68/75/526166875.db2.gz ASCPONSJVAHNOE-UHFFFAOYSA-N 1 0 456.631 2.957 50 0 JFAARO Cc1ccc2c(c1)N(CCCC(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)C(=O)CO2 ZINC000020413233 526168153 /nfs/dbraw/zinc/16/81/53/526168153.db2.gz LIKPHTVEQWMYAQ-UHFFFAOYSA-N 1 0 464.610 2.825 50 0 JFAARO COc1cccc(OC)c1C(=O)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255083 526214588 /nfs/dbraw/zinc/21/45/88/526214588.db2.gz SWDZLNYNWCLIEC-RUZDIDTESA-N 1 0 486.657 2.623 50 0 JFAARO Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)NCCC[NH+]3CCCC3)nn12 ZINC000033274449 526218899 /nfs/dbraw/zinc/21/88/99/526218899.db2.gz HVEMZDYRBJKUCV-UHFFFAOYSA-N 1 0 462.529 2.756 50 0 JFAARO COc1cccc(OC[C@H](O)CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000014978553 526235979 /nfs/dbraw/zinc/23/59/79/526235979.db2.gz XOJJWKYVRAKRKD-QZTJIDSGSA-N 1 0 476.957 2.988 50 0 JFAARO COc1cccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccccc3F)ccc2N2CC[NH2+]CC2)c1 ZINC000033034411 526244427 /nfs/dbraw/zinc/24/44/27/526244427.db2.gz FORMYSONPVPQDM-UHFFFAOYSA-N 1 0 498.580 2.975 50 0 JFAARO Cc1csc(-c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014747069 526299057 /nfs/dbraw/zinc/29/90/57/526299057.db2.gz NVAXIRYZUKRCNQ-LJQANCHMSA-N 1 0 463.625 2.521 50 0 JFAARO O=C(NCCc1ccccc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020387096 526422271 /nfs/dbraw/zinc/42/22/71/526422271.db2.gz JIFCMVSFBWCQCQ-QHCPKHFHSA-N 1 0 450.583 2.950 50 0 JFAARO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033262208 526537955 /nfs/dbraw/zinc/53/79/55/526537955.db2.gz NGBSRZJCMWEDCZ-SFHVURJKSA-N 1 0 475.615 2.547 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000035459678 526547790 /nfs/dbraw/zinc/54/77/90/526547790.db2.gz XVEAMPUXGKUXBX-QGZVFWFLSA-N 1 0 466.648 2.805 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000014239938 526548757 /nfs/dbraw/zinc/54/87/57/526548757.db2.gz CMJVIEXKWGNRIC-UHFFFAOYSA-N 1 0 474.627 2.994 50 0 JFAARO O=C(NC[C@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033033686 526600234 /nfs/dbraw/zinc/60/02/34/526600234.db2.gz RBSIFBLQMAWWKL-JOCHJYFZSA-N 1 0 498.649 2.685 50 0 JFAARO O=C(CCc1ccccc1)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036254972 526607266 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DMZBMUOWSOQKHE-FQEVSTJZSA-N 1 0 461.609 2.621 50 0 JFAARO CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009060176 554878636 /nfs/dbraw/zinc/87/86/36/554878636.db2.gz BLGZQJJINCZBSF-SFHVURJKSA-N 1 0 462.019 2.578 50 0 JFAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)nc(C)n3n2)cc1 ZINC000009287477 555060871 /nfs/dbraw/zinc/06/08/71/555060871.db2.gz BZVHERJNJXGFHV-RTBURBONSA-N 1 0 464.614 2.913 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)CC1 ZINC000009339038 555107411 /nfs/dbraw/zinc/10/74/11/555107411.db2.gz VWZLNIZQFHURPD-UHFFFAOYSA-N 1 0 462.598 2.747 50 0 JFAARO Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCC[NH+]3CCCCCC3)cc1CC2 ZINC000009441748 555212842 /nfs/dbraw/zinc/21/28/42/555212842.db2.gz WIMXGTPAIGKKEN-UHFFFAOYSA-N 1 0 453.587 2.778 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)cc1 ZINC000009492637 555272860 /nfs/dbraw/zinc/27/28/60/555272860.db2.gz UWNUWNGUJQYTRC-UHFFFAOYSA-N 1 0 492.667 2.722 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529918 555324435 /nfs/dbraw/zinc/32/44/35/555324435.db2.gz VHWLCHCYPMWFEA-AQNXPRMDSA-N 1 0 464.657 2.751 50 0 JFAARO CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NCC[NH+]3CCC(C)CC3)c2)on1 ZINC000009638006 555346217 /nfs/dbraw/zinc/34/62/17/555346217.db2.gz VIBLFEQYULGFLJ-UHFFFAOYSA-N 1 0 451.545 2.537 50 0 JFAARO CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NCC[NH+](CC)CC)CC3)c(=O)c2cc1OCC ZINC000009589870 555402992 /nfs/dbraw/zinc/40/29/92/555402992.db2.gz BYBDDVOPSIJZEK-UHFFFAOYSA-N 1 0 488.629 2.752 50 0 JFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009591534 555405623 /nfs/dbraw/zinc/40/56/23/555405623.db2.gz HMUGDDKAKPTUJU-QFIPXVFZSA-N 1 0 499.633 2.639 50 0 JFAARO COc1ccc(-n2ccn3c(CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)nnc3c2=O)cc1 ZINC000009688365 555415869 /nfs/dbraw/zinc/41/58/69/555415869.db2.gz BBXHRNXYDAIGPD-UHFFFAOYSA-N 1 0 486.576 2.602 50 0 JFAARO C[NH+](C)CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000009604041 555430551 /nfs/dbraw/zinc/43/05/51/555430551.db2.gz ZFDLTWMKPJIOBL-UHFFFAOYSA-N 1 0 466.519 2.887 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cc2)CC1 ZINC000009716454 555449711 /nfs/dbraw/zinc/44/97/11/555449711.db2.gz XWGQKYHKDAPHBM-UHFFFAOYSA-N 1 0 471.565 2.822 50 0 JFAARO O=C(c1ccc(N2CCC([NH+]3CCN(Cc4cccnc4)CC3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000019839822 555508092 /nfs/dbraw/zinc/50/80/92/555508092.db2.gz NHPWSFMMSRQIRK-DEOSSOPVSA-N 1 0 477.653 2.713 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013575206 555513654 /nfs/dbraw/zinc/51/36/54/555513654.db2.gz XZIVEQWPLWUYGI-XVOHXHPPSA-N 1 0 453.926 2.807 50 0 JFAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009818957 555523000 /nfs/dbraw/zinc/52/30/00/555523000.db2.gz IJGVTSCFSJNAQP-LJQANCHMSA-N 1 0 491.635 2.579 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC[N@H+](C)C1CCCCC1)C(=O)CS2 ZINC000009969854 555566632 /nfs/dbraw/zinc/56/66/32/555566632.db2.gz STTDWCNTEUUEAH-UHFFFAOYSA-N 1 0 496.699 2.537 50 0 JFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000010059892 555611122 /nfs/dbraw/zinc/61/11/22/555611122.db2.gz HHYOGDNMEHFFPZ-UHFFFAOYSA-N 1 0 457.527 2.893 50 0 JFAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c(OC)c1 ZINC000020058040 555621977 /nfs/dbraw/zinc/62/19/77/555621977.db2.gz GLJFVXHUUYLIMB-UHFFFAOYSA-N 1 0 481.593 2.989 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109009 555644281 /nfs/dbraw/zinc/64/42/81/555644281.db2.gz UCGNAQLAYWMPNH-RPBOFIJWSA-N 1 0 464.610 2.750 50 0 JFAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000014067487 555676284 /nfs/dbraw/zinc/67/62/84/555676284.db2.gz IWRGVFRNMDMEOH-QGZVFWFLSA-N 1 0 455.552 2.696 50 0 JFAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000014093323 555685820 /nfs/dbraw/zinc/68/58/20/555685820.db2.gz HIYNDROYEUHNPI-YIXXDRMTSA-N 1 0 456.546 2.998 50 0 JFAARO O=S(=O)(c1ccc(Cl)c(NC(=S)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)N1CCOCC1 ZINC000014118796 555693593 /nfs/dbraw/zinc/69/35/93/555693593.db2.gz JCGSXJRNERILMH-GOSISDBHSA-N 1 0 495.070 2.922 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)[NH+]2CCCC2)cc1 ZINC000014241218 555742288 /nfs/dbraw/zinc/74/22/88/555742288.db2.gz OCSXMTXOZRZBGK-NRFANRHFSA-N 1 0 475.611 2.957 50 0 JFAARO C[NH+](C)Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000014244049 555745509 /nfs/dbraw/zinc/74/55/09/555745509.db2.gz DTGYRUVJNYXHJH-UHFFFAOYSA-N 1 0 461.492 2.738 50 0 JFAARO Cn1c(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc2c1c1ccccc1n(C)c2=O ZINC000020286286 555754763 /nfs/dbraw/zinc/75/47/63/555754763.db2.gz ZMUWEBVCZLCZBU-UHFFFAOYSA-N 1 0 457.578 2.578 50 0 JFAARO Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCCCN5CC[NH+](C)CC5)CC4)sc3n2)cc1 ZINC000020531934 555799606 /nfs/dbraw/zinc/79/96/06/555799606.db2.gz MWRRVXZBFPNZCR-UHFFFAOYSA-N 1 0 481.670 2.736 50 0 JFAARO CC[NH+]1CCN(CCc2nc3cc(NC(=O)COc4ccc(OC)cc4)ccc3n2C)CC1 ZINC000020533406 555804842 /nfs/dbraw/zinc/80/48/42/555804842.db2.gz UMMRIOXDJDYAGL-UHFFFAOYSA-N 1 0 451.571 2.779 50 0 JFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000020557047 555808947 /nfs/dbraw/zinc/80/89/47/555808947.db2.gz YGIOWPXTRKRYSD-UHFFFAOYSA-N 1 0 473.625 2.944 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cn2)CC1 ZINC000014520295 555816258 /nfs/dbraw/zinc/81/62/58/555816258.db2.gz VXUYVPPMIZBAMI-UHFFFAOYSA-N 1 0 485.654 2.969 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC000014531945 555819627 /nfs/dbraw/zinc/81/96/27/555819627.db2.gz NNODCLOQQPUUBV-UHFFFAOYSA-N 1 0 496.608 2.977 50 0 JFAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cc3c(c(OC)c1)OCO3)CC2 ZINC000014532482 555820287 /nfs/dbraw/zinc/82/02/87/555820287.db2.gz ZVKHOLDCDVICAG-UHFFFAOYSA-N 1 0 452.511 2.638 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566795 555820680 /nfs/dbraw/zinc/82/06/80/555820680.db2.gz RBNLYMOUHXHXMX-UAKAABGRSA-N 1 0 498.377 2.916 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566376 555820793 /nfs/dbraw/zinc/82/07/93/555820793.db2.gz YUKOQZBTSJQSDD-KSVNGYGVSA-N 1 0 466.401 2.723 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+]([C@@H](C)Cc1cccc(OC)c1)CC2 ZINC000014533022 555821023 /nfs/dbraw/zinc/82/10/23/555821023.db2.gz BFPOAZGMJXVARX-FQEVSTJZSA-N 1 0 466.582 2.967 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020567077 555821151 /nfs/dbraw/zinc/82/11/51/555821151.db2.gz SXZSKKHMFRXSMB-ZBLHWPFVSA-N 1 0 453.926 2.807 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000011788334 555822546 /nfs/dbraw/zinc/82/25/46/555822546.db2.gz CDTYFAZDXMYXHJ-SFHVURJKSA-N 1 0 465.554 2.610 50 0 JFAARO Cc1csc(-c2cc(C(=O)N(C)C3CC[NH+](C)CC3)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014536649 555826067 /nfs/dbraw/zinc/82/60/67/555826067.db2.gz AVVCAUQQZHJROB-UHFFFAOYSA-N 1 0 477.652 2.911 50 0 JFAARO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 ZINC000014538485 555827989 /nfs/dbraw/zinc/82/79/89/555827989.db2.gz OMFCMUIDIHYEQT-YRNVUSSQSA-N 1 0 476.577 2.535 50 0 JFAARO Cc1csc(-c2cc(C(=O)NCC[NH+]3CCCCC3)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014539201 555828912 /nfs/dbraw/zinc/82/89/12/555828912.db2.gz DSTCDNGPYJBURR-UHFFFAOYSA-N 1 0 477.652 2.960 50 0 JFAARO Cc1ccccc1[C@]1(CC(=O)N(C)Cc2ccc3nccnc3c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011816182 555830901 /nfs/dbraw/zinc/83/09/01/555830901.db2.gz CHBNNNMWQCGZBJ-MHZLTWQESA-N 1 0 473.577 2.545 50 0 JFAARO Cc1ccccc1[C@@]1(CC(=O)N2CCC([NH+]3CCOCC3)CC2)CC(=O)N(C2CCCC2)C1=O ZINC000015002424 555847501 /nfs/dbraw/zinc/84/75/01/555847501.db2.gz YGTAMJHWQPKBAM-HHHXNRCGSA-N 1 0 467.610 2.648 50 0 JFAARO Cc1ccccc1[C@]1(CC(=O)N2CCC([NH+]3CCOCC3)CC2)CC(=O)N(C2CCCC2)C1=O ZINC000015002427 555847672 /nfs/dbraw/zinc/84/76/72/555847672.db2.gz YGTAMJHWQPKBAM-MHZLTWQESA-N 1 0 467.610 2.648 50 0 JFAARO C[N@H+](Cc1ccc2nccnc2c1)C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000015003908 555848902 /nfs/dbraw/zinc/84/89/02/555848902.db2.gz ARMWYFRILGTLQH-UHFFFAOYSA-N 1 0 488.636 2.793 50 0 JFAARO COCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2)C(C)C ZINC000011909599 555856798 /nfs/dbraw/zinc/85/67/98/555856798.db2.gz VEKUVNYRVYGHIV-NRFANRHFSA-N 1 0 454.600 2.920 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)SC3=NS(=O)(=O)CCN43)cc2)CC1 ZINC000011952732 555869965 /nfs/dbraw/zinc/86/99/65/555869965.db2.gz UVJJKCZLLOSGRP-UHFFFAOYSA-N 1 0 471.608 2.692 50 0 JFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1 ZINC000011998212 555880652 /nfs/dbraw/zinc/88/06/52/555880652.db2.gz IWIHZSGUEBWSHC-LJQANCHMSA-N 1 0 491.592 2.725 50 0 JFAARO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998649 555881384 /nfs/dbraw/zinc/88/13/84/555881384.db2.gz OWXPTTAGIJSOPW-HXUWFJFHSA-N 1 0 461.971 2.973 50 0 JFAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC2(CC[C@H](CNC(=O)c3cc(C)nn3C)O2)CC1 ZINC000012037881 555891016 /nfs/dbraw/zinc/89/10/16/555891016.db2.gz XYAKWIPVNLUBRM-LJQANCHMSA-N 1 0 472.586 2.698 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000015339798 555899375 /nfs/dbraw/zinc/89/93/75/555899375.db2.gz CCBJRMRLGDRBNX-UHFFFAOYSA-N 1 0 479.046 2.923 50 0 JFAARO COCCCN1C(=O)C[C@@](CC(=O)N(C)CC[C@@H](C)[NH+]2CCCC2)(c2ccccc2C)C1=O ZINC000012128142 555910565 /nfs/dbraw/zinc/91/05/65/555910565.db2.gz RSBDKHYYAGBRGC-RLWLMLJZSA-N 1 0 457.615 2.751 50 0 JFAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000012140794 555919445 /nfs/dbraw/zinc/91/94/45/555919445.db2.gz PURHZGFBZYWANB-UHFFFAOYSA-N 1 0 492.598 2.665 50 0 JFAARO Cc1csc([C@H](C)[NH2+]C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)n1 ZINC000012159376 555930052 /nfs/dbraw/zinc/93/00/52/555930052.db2.gz GHBNOSNAWDGJHQ-IBGZPJMESA-N 1 0 457.644 2.833 50 0 JFAARO O=C(CN1C(=O)CSC1=O)N1CCOc2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000012165495 555932807 /nfs/dbraw/zinc/93/28/07/555932807.db2.gz FFUOZFYYJWDSBZ-UHFFFAOYSA-N 1 0 498.580 2.564 50 0 JFAARO COc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)c(OC)c1 ZINC000012183342 555935719 /nfs/dbraw/zinc/93/57/19/555935719.db2.gz ZLWPURXTVGBKKI-UHFFFAOYSA-N 1 0 496.652 2.567 50 0 JFAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)Cc1ccc3ccccc3c1)CC2 ZINC000012194787 555941048 /nfs/dbraw/zinc/94/10/48/555941048.db2.gz NZOXFGDNPKGDRS-HSZRJFAPSA-N 1 0 476.625 2.824 50 0 JFAARO COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC([NH2+]CCc3ccccn3)CC2)cc1 ZINC000012247907 555947296 /nfs/dbraw/zinc/94/72/96/555947296.db2.gz YIHRIAVXWKOOEG-DEOSSOPVSA-N 1 0 450.583 2.589 50 0 JFAARO COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726200 555963987 /nfs/dbraw/zinc/96/39/87/555963987.db2.gz YVPLBBZMVKEZGX-AZUAARDMSA-N 1 0 471.602 2.956 50 0 JFAARO COc1ccc(-c2noc(CN3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)n2)cc1OC ZINC000015726438 555964831 /nfs/dbraw/zinc/96/48/31/555964831.db2.gz JXEZEBUVWKIZBZ-SFHVURJKSA-N 1 0 471.602 2.956 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000022935185 555988263 /nfs/dbraw/zinc/98/82/63/555988263.db2.gz YIVJCTFMPBSTED-UHFFFAOYSA-N 1 0 458.628 2.864 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000022936428 555988929 /nfs/dbraw/zinc/98/89/29/555988929.db2.gz HPJUVWWVHQPFAZ-UHFFFAOYSA-N 1 0 459.594 2.671 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000022937153 555989723 /nfs/dbraw/zinc/98/97/23/555989723.db2.gz UGCWRZFUHBSDCF-QHCPKHFHSA-N 1 0 493.681 2.869 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(Cl)s2)CC1 ZINC000012528108 555996661 /nfs/dbraw/zinc/99/66/61/555996661.db2.gz DVJBENRNTDOGIO-UHFFFAOYSA-N 1 0 499.058 2.817 50 0 JFAARO Cc1ccc(-n2nc(C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786482 556005856 /nfs/dbraw/zinc/00/58/56/556005856.db2.gz MVFOFEHWYWPLBT-UHFFFAOYSA-N 1 0 481.984 2.535 50 0 JFAARO Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCC3)c2)c1 ZINC000015828322 556015829 /nfs/dbraw/zinc/01/58/29/556015829.db2.gz GUMNPJFIBCTLBN-UHFFFAOYSA-N 1 0 471.627 2.971 50 0 JFAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc(OC(C)C)cc2)CC3)o1 ZINC000023128919 556018022 /nfs/dbraw/zinc/01/80/22/556018022.db2.gz ZQUWXDMYDXMRTQ-UHFFFAOYSA-N 1 0 453.543 2.793 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)cc2C)CC1 ZINC000012544233 556020216 /nfs/dbraw/zinc/02/02/16/556020216.db2.gz SYOZPYMFOVWZKZ-QFIPXVFZSA-N 1 0 486.638 2.847 50 0 JFAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2)C1 ZINC000023257872 556036764 /nfs/dbraw/zinc/03/67/64/556036764.db2.gz JPCKFZXZSRBKHR-WOJBJXKFSA-N 1 0 497.105 2.860 50 0 JFAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC1(N3CCOCC3)CCCCCC1)C2 ZINC000023354112 556048509 /nfs/dbraw/zinc/04/85/09/556048509.db2.gz QBSQXERCHWXJFH-OAQYLSRUSA-N 1 0 457.663 2.918 50 0 JFAARO COc1cccc([C@@H](CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)[NH+](C)C)c1 ZINC000023398010 556051382 /nfs/dbraw/zinc/05/13/82/556051382.db2.gz AIKWWJCMCMOAGL-GOSISDBHSA-N 1 0 491.518 2.787 50 0 JFAARO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015958121 556089555 /nfs/dbraw/zinc/08/95/55/556089555.db2.gz GZKPHPQAXMDRIN-PNOLHXSVSA-N 1 0 459.502 2.506 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959381 556091514 /nfs/dbraw/zinc/09/15/14/556091514.db2.gz WIQJMTBNUZQGRM-DFIMXKNXSA-N 1 0 467.525 2.598 50 0 biogenic JFAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000015970375 556096323 /nfs/dbraw/zinc/09/63/23/556096323.db2.gz VZWNONRVGYQGSA-CQAGSAPUSA-N 1 0 492.963 2.821 50 0 biogenic JFAARO CC(C)CCN(C(=O)C[NH+]1CCCCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015982055 556100434 /nfs/dbraw/zinc/10/04/34/556100434.db2.gz NTUMHTGZRUDRSB-UHFFFAOYSA-N 1 0 455.603 2.812 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000016009626 556108200 /nfs/dbraw/zinc/10/82/00/556108200.db2.gz AEWLEZLDDLIQFT-IYCJUYGXSA-N 1 0 457.461 2.699 50 0 JFAARO COc1ccc(-c2nnn(CC(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)n2)cc1OC ZINC000023968723 556109731 /nfs/dbraw/zinc/10/97/31/556109731.db2.gz SPFHASLYFSVQLG-UHFFFAOYSA-N 1 0 472.549 2.855 50 0 JFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021922 556114322 /nfs/dbraw/zinc/11/43/22/556114322.db2.gz ZPBIKPSGTQLFCT-VKDGWMQASA-N 1 0 453.539 2.542 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024477 556115005 /nfs/dbraw/zinc/11/50/05/556115005.db2.gz NBHYGULQCYBWMP-FVJVTNMWSA-N 1 0 453.926 2.807 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(C[NH+](C)C)cc3)c2c1 ZINC000024066875 556118263 /nfs/dbraw/zinc/11/82/63/556118263.db2.gz QRMDAXASQVXUGC-UHFFFAOYSA-N 1 0 470.595 2.550 50 0 JFAARO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)[NH+]1CCCC1 ZINC000024550358 556135849 /nfs/dbraw/zinc/13/58/49/556135849.db2.gz ZHSIKAQPGCWJJE-YLJYHZDGSA-N 1 0 451.523 2.730 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000013007442 556199059 /nfs/dbraw/zinc/19/90/59/556199059.db2.gz VSOUVTHJARQIOZ-IBGZPJMESA-N 1 0 480.565 2.521 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000026392755 556253166 /nfs/dbraw/zinc/25/31/66/556253166.db2.gz GGBUNFWPFOWYBF-SFHVURJKSA-N 1 0 457.021 2.720 50 0 JFAARO O=S(=O)(c1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1)N1CCOCC1 ZINC000013113435 556318158 /nfs/dbraw/zinc/31/81/58/556318158.db2.gz WSAPXGGOBQBMPS-UHFFFAOYSA-N 1 0 452.960 2.812 50 0 JFAARO Cc1cc(O[C@@H](C)C(=O)O[C@@H](CN2C(=O)c3ccccc3C2=O)CN2CC[NH+](C)CC2)ccc1Cl ZINC000028293250 556329637 /nfs/dbraw/zinc/32/96/37/556329637.db2.gz MKQQFVMCLBJMNI-AZUAARDMSA-N 1 0 499.995 2.871 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000019742017 556364758 /nfs/dbraw/zinc/36/47/58/556364758.db2.gz CQHUKVXKVGATQS-UHFFFAOYSA-N 1 0 463.582 2.549 50 0 JFAARO O=C(c1ccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCC3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000019799275 556376614 /nfs/dbraw/zinc/37/66/14/556376614.db2.gz UKKQBQOUPKXJFH-HSZRJFAPSA-N 1 0 484.685 2.735 50 0 JFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(OC)c(C)c2C)CC3)cc1 ZINC000019811748 556382427 /nfs/dbraw/zinc/38/24/27/556382427.db2.gz AZYDLEOKFQVYPG-UHFFFAOYSA-N 1 0 463.582 2.943 50 0 JFAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595763 562944076 /nfs/dbraw/zinc/94/40/76/562944076.db2.gz QNARXVIJNWXBHM-KRWDZBQOSA-N 1 0 467.661 2.720 50 0 JFAARO Cc1ccc(C)c(Cn2c(N3CC[NH+](Cc4ccccc4C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000056952679 569593408 /nfs/dbraw/zinc/59/34/08/569593408.db2.gz HVPSRDZMIQFOTE-UHFFFAOYSA-N 1 0 472.593 2.719 50 0 JFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414525 569599891 /nfs/dbraw/zinc/59/98/91/569599891.db2.gz XXRMFDNFIQNRJU-DEOSSOPVSA-N 1 0 486.613 2.825 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415641 569601098 /nfs/dbraw/zinc/60/10/98/569601098.db2.gz STLNTXCUTLQPCU-HSZRJFAPSA-N 1 0 452.530 2.815 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415644 569601127 /nfs/dbraw/zinc/60/11/27/569601127.db2.gz STLNTXCUTLQPCU-QHCPKHFHSA-N 1 0 452.530 2.815 50 0 JFAARO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000008728266 569601437 /nfs/dbraw/zinc/60/14/37/569601437.db2.gz QXQOAGLLRGHBMV-UHFFFAOYSA-N 1 0 471.631 2.860 50 0 JFAARO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)C2=O)cc1 ZINC000032970927 569603469 /nfs/dbraw/zinc/60/34/69/569603469.db2.gz UZYLUKQEJDORFX-XMMPIXPASA-N 1 0 469.973 2.806 50 0 JFAARO COc1cc(C(=O)N2CCC(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000032974300 569605506 /nfs/dbraw/zinc/60/55/06/569605506.db2.gz RWDUEBKYYFVCKW-SFHVURJKSA-N 1 0 461.603 2.945 50 0 JFAARO COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000032976359 569606370 /nfs/dbraw/zinc/60/63/70/569606370.db2.gz BNMBAJUUIXOGID-UHFFFAOYSA-N 1 0 456.612 2.854 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032983816 569607195 /nfs/dbraw/zinc/60/71/95/569607195.db2.gz AMCYFQOYLSBXNN-NRFANRHFSA-N 1 0 477.652 2.655 50 0 JFAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000060331345 569608792 /nfs/dbraw/zinc/60/87/92/569608792.db2.gz XQWBFLHWORRQFN-SFHVURJKSA-N 1 0 451.546 2.945 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)CCCc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000032995152 569610107 /nfs/dbraw/zinc/61/01/07/569610107.db2.gz NQBPYPOIXDDHFR-UHFFFAOYSA-N 1 0 458.632 2.565 50 0 JFAARO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 ZINC000062620894 569613345 /nfs/dbraw/zinc/61/33/45/569613345.db2.gz FXBFGMDKJBPEME-MUUNZHRXSA-N 1 0 491.636 2.805 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4ncccc4n4cccc34)C2)CC1 ZINC000033019113 569618469 /nfs/dbraw/zinc/61/84/69/569618469.db2.gz BCUNHAKEWOTWGS-NRFANRHFSA-N 1 0 463.630 2.633 50 0 JFAARO CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCCCCC4)C3)ccc21 ZINC000033023436 569619537 /nfs/dbraw/zinc/61/95/37/569619537.db2.gz AKEIYPZDOCXGOI-FQEVSTJZSA-N 1 0 490.674 2.624 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)s2)cc1 ZINC000033024539 569619998 /nfs/dbraw/zinc/61/99/98/569619998.db2.gz MXODRNUTMXBBOC-UHFFFAOYSA-N 1 0 484.626 2.553 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)CC1 ZINC000065023544 569649820 /nfs/dbraw/zinc/64/98/20/569649820.db2.gz PHZAEIBOUPPWBD-OAQYLSRUSA-N 1 0 454.594 2.643 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)CC1 ZINC000065023545 569649851 /nfs/dbraw/zinc/64/98/51/569649851.db2.gz PHZAEIBOUPPWBD-NRFANRHFSA-N 1 0 454.594 2.643 50 0 JFAARO CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CC[NH2+]CC1 ZINC000065025209 569650314 /nfs/dbraw/zinc/65/03/14/569650314.db2.gz QZFBMIRLWFLJNN-KRWDZBQOSA-N 1 0 471.627 2.699 50 0 JFAARO COc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCCC3)c2)cc1 ZINC000065025126 569650326 /nfs/dbraw/zinc/65/03/26/569650326.db2.gz URVPCNFSAQHUFU-UHFFFAOYSA-N 1 0 487.626 2.753 50 0 JFAARO Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCC3)c2)c1 ZINC000065025193 569650364 /nfs/dbraw/zinc/65/03/64/569650364.db2.gz RIBIWZAPJXGIFR-UHFFFAOYSA-N 1 0 457.600 2.581 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCC3)c2)c(C)c1 ZINC000065025224 569650486 /nfs/dbraw/zinc/65/04/86/569650486.db2.gz JGFWOODIADCWBK-UHFFFAOYSA-N 1 0 457.600 2.581 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1C ZINC000065025232 569650606 /nfs/dbraw/zinc/65/06/06/569650606.db2.gz ULRQGJJGYICJHJ-UHFFFAOYSA-N 1 0 479.606 2.839 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000065061513 569655443 /nfs/dbraw/zinc/65/54/43/569655443.db2.gz TZRVOECVLNNFTA-QGZVFWFLSA-N 1 0 454.637 2.711 50 0 JFAARO O=S(=O)(c1ccccc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc(F)c(Cl)c1 ZINC000065074679 569657293 /nfs/dbraw/zinc/65/72/93/569657293.db2.gz YOHORDRDUDESFN-UHFFFAOYSA-N 1 0 450.967 2.794 50 0 biogenic JFAARO COc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(C)cc2C)CC3)cc1 ZINC000065074808 569657487 /nfs/dbraw/zinc/65/74/87/569657487.db2.gz SKWKYGFHURBYBE-UHFFFAOYSA-N 1 0 456.612 2.627 50 0 biogenic JFAARO COc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cc(C)c(C)cc2C)CC3)cc1 ZINC000065074882 569657555 /nfs/dbraw/zinc/65/75/55/569657555.db2.gz CWNHAXZEIRRCIC-UHFFFAOYSA-N 1 0 470.639 2.935 50 0 biogenic JFAARO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000065102563 569664398 /nfs/dbraw/zinc/66/43/98/569664398.db2.gz HXXCANDNWVIDOR-UHFFFAOYSA-N 1 0 468.671 2.906 50 0 JFAARO Cc1cc(C(=O)N(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]2CCCO2)no1 ZINC000034922516 569672843 /nfs/dbraw/zinc/67/28/43/569672843.db2.gz CDKIYQYGVZPYQU-JOCHJYFZSA-N 1 0 454.571 2.775 50 0 JFAARO Cc1cc(C(=O)N(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]2CCCO2)no1 ZINC000034922515 569672849 /nfs/dbraw/zinc/67/28/49/569672849.db2.gz CDKIYQYGVZPYQU-QFIPXVFZSA-N 1 0 454.571 2.775 50 0 JFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319248 569673862 /nfs/dbraw/zinc/67/38/62/569673862.db2.gz VDSVLUHQEDPPKQ-SFHVURJKSA-N 1 0 461.588 2.515 50 0 JFAARO CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NCC[NH+]4CCCCCC4)n3)cc2)CC1 ZINC000065319210 569673924 /nfs/dbraw/zinc/67/39/24/569673924.db2.gz WGOKAUURXGXJRE-UHFFFAOYSA-N 1 0 475.615 2.763 50 0 JFAARO CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000035325236 569680707 /nfs/dbraw/zinc/68/07/07/569680707.db2.gz MOFZBXXAEMWVMM-QFIPXVFZSA-N 1 0 488.629 2.783 50 0 JFAARO COc1cc(NC(=O)N2CCC(CC(=O)NCC[NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000035399179 569689694 /nfs/dbraw/zinc/68/96/94/569689694.db2.gz CBOLEUKAYAGZHP-UHFFFAOYSA-N 1 0 462.591 2.949 50 0 JFAARO Cc1c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(C(=O)N2CCCCC2)n1C ZINC000035422197 569692469 /nfs/dbraw/zinc/69/24/69/569692469.db2.gz KTQUWGGTCXTYNS-UHFFFAOYSA-N 1 0 458.628 2.903 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000035561943 569704505 /nfs/dbraw/zinc/70/45/05/569704505.db2.gz PEBBRASFPSABDC-HXUWFJFHSA-N 1 0 453.631 2.800 50 0 JFAARO Cc1onc2c1c(C)nn(CCCC(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000085613779 569711256 /nfs/dbraw/zinc/71/12/56/569711256.db2.gz TXZPDFIHFLDYIL-UHFFFAOYSA-N 1 0 487.004 2.763 50 0 JFAARO COc1ccc2[nH]cc(CCNC(=O)Cn3cc(OC)c(=O)cc3C[NH+]3CCCCC3)c2c1 ZINC000095549722 569727477 /nfs/dbraw/zinc/72/74/77/569727477.db2.gz WEHXUYMCVIANMX-UHFFFAOYSA-N 1 0 452.555 2.692 50 0 biogenic JFAARO COCC[NH+]1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccc(OC)cc3)n2)CC1 ZINC000035929317 569731421 /nfs/dbraw/zinc/73/14/21/569731421.db2.gz WPKSMMYOVSUKSJ-UHFFFAOYSA-N 1 0 477.544 2.981 50 0 JFAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NCc1cccc(Cl)c1 ZINC000096836871 569743275 /nfs/dbraw/zinc/74/32/75/569743275.db2.gz VOHUPLWERULOSV-UHFFFAOYSA-N 1 0 451.958 2.535 50 0 JFAARO COCCC[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H](O)COC(C)C ZINC000036249704 569758020 /nfs/dbraw/zinc/75/80/20/569758020.db2.gz IOIGGBNMJOLPBQ-OAQYLSRUSA-N 1 0 465.566 2.942 50 0 JFAARO COc1ccc(C(=O)/N=c2\scc(C)n2Cc2ccccc2C(=O)NCC[NH+](C)C)cc1OC ZINC000037436814 569790211 /nfs/dbraw/zinc/79/02/11/569790211.db2.gz DBBAEJFTUOXHRW-RFBIWTDZSA-N 1 0 482.606 2.956 50 0 JFAARO CCCCN(C(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000040149542 569819122 /nfs/dbraw/zinc/81/91/22/569819122.db2.gz LIKBJKKCNZOOAI-UHFFFAOYSA-N 1 0 494.434 2.949 50 0 JFAARO O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000040150150 569819544 /nfs/dbraw/zinc/81/95/44/569819544.db2.gz UMGLREFEHRQFMJ-XMMPIXPASA-N 1 0 453.608 2.889 50 0 JFAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)C(C)C)c1 ZINC000040151658 569819915 /nfs/dbraw/zinc/81/99/15/569819915.db2.gz WFMMNHVECBUBIE-QHCPKHFHSA-N 1 0 457.571 2.715 50 0 JFAARO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1S(=O)(=O)N(C)C ZINC000040152777 569820249 /nfs/dbraw/zinc/82/02/49/569820249.db2.gz KUKCCMRGRXTGJW-UHFFFAOYSA-N 1 0 475.611 2.792 50 0 JFAARO CC(C)C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000040158148 569821758 /nfs/dbraw/zinc/82/17/58/569821758.db2.gz JYFYLCNYYDTVES-HNNXBMFYSA-N 1 0 478.478 2.854 50 0 JFAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000040450363 569828311 /nfs/dbraw/zinc/82/83/11/569828311.db2.gz XXASQCLVGKNBEM-AWEZNQCLSA-N 1 0 458.422 2.901 50 0 JFAARO O=C(C[NH2+][C@@H](CN1CCOCC1)c1ccccc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000049568886 569848694 /nfs/dbraw/zinc/84/86/94/569848694.db2.gz WKRZPIJMBRMODA-HFGSDPQMSA-N 1 0 494.617 2.502 50 0 JFAARO CCOC[C@@H](O)C[N@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000105003745 569849505 /nfs/dbraw/zinc/84/95/05/569849505.db2.gz AWHYYLSIYFRKSG-NZQKXSOJSA-N 1 0 476.639 2.989 50 0 JFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1 ZINC000105265604 569852768 /nfs/dbraw/zinc/85/27/68/569852768.db2.gz FQVLELOTJWUMOB-NRFQZDPCSA-N 1 0 453.587 2.708 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)COC ZINC000169680255 569870291 /nfs/dbraw/zinc/87/02/91/569870291.db2.gz WMOXLSGGRHMALN-DENIHFKCSA-N 1 0 480.602 2.738 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COC ZINC000169681545 569870765 /nfs/dbraw/zinc/87/07/65/569870765.db2.gz LIDSWNZLLMPXGT-NFBKMPQASA-N 1 0 476.639 2.907 50 0 JFAARO COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@H]1[C@H](C(=O)NCC[NH+]1CCCC1)C2 ZINC000230129393 570045412 /nfs/dbraw/zinc/04/54/12/570045412.db2.gz KZGYIHURAUVCSF-RDGATRHJSA-N 1 0 464.610 2.783 50 0 JFAARO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000230201127 570046127 /nfs/dbraw/zinc/04/61/27/570046127.db2.gz DWCTXZDSNYNDLN-DAKPEJIASA-N 1 0 483.521 2.722 50 0 JFAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000245171681 570054516 /nfs/dbraw/zinc/05/45/16/570054516.db2.gz XPTGCIIHDJXPNW-QFIPXVFZSA-N 1 0 491.636 2.820 50 0 JFAARO CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)CC1 ZINC000245246401 570059153 /nfs/dbraw/zinc/05/91/53/570059153.db2.gz KNZLJLNOCQFVSX-FFZOFVMBSA-N 1 0 464.657 2.622 50 0 JFAARO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1 ZINC000245279152 570061231 /nfs/dbraw/zinc/06/12/31/570061231.db2.gz FKRYEOOBZZZMIE-XMSQKQJNSA-N 1 0 460.596 2.733 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@H](O)COC ZINC000245325462 570064305 /nfs/dbraw/zinc/06/43/05/570064305.db2.gz AAZBHMCZGGDYGF-PGRDOPGGSA-N 1 0 462.612 2.981 50 0 JFAARO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)no1 ZINC000248071909 570073601 /nfs/dbraw/zinc/07/36/01/570073601.db2.gz XSMYXSITIWYMKE-ICSRJNTNSA-N 1 0 459.616 2.538 50 0 JFAARO CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]2CCCC[C@H]12 ZINC000248097674 570073893 /nfs/dbraw/zinc/07/38/93/570073893.db2.gz DFHQULLQMGVPFE-ZTFGCOKTSA-N 1 0 457.040 2.649 50 0 JFAARO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000252523060 570083118 /nfs/dbraw/zinc/08/31/18/570083118.db2.gz BTHXAPUXVRAWKI-BVSLBCMMSA-N 1 0 456.587 2.523 50 0 JFAARO COc1ccc([C@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253400500 570096603 /nfs/dbraw/zinc/09/66/03/570096603.db2.gz DYHKAMUZHQSJCV-CLWLKPMESA-N 1 0 473.614 2.955 50 0 biogenic JFAARO COc1ccccc1[C@]1(CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC(=O)N(C)C1=O ZINC000299758067 570174351 /nfs/dbraw/zinc/17/43/51/570174351.db2.gz AJCZBDPBMBUMEY-XMMPIXPASA-N 1 0 455.580 2.508 50 0 JFAARO CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761948 570174684 /nfs/dbraw/zinc/17/46/84/570174684.db2.gz CEOAZTLXFCEMBS-WUFINQPMSA-N 1 0 474.605 2.921 50 0 JFAARO Cc1cccc(N2CCN(C(=O)C[C@@]3(c4cccc(F)c4)CC(=O)N(CC[NH+](C)C)C3=O)CC2)c1C ZINC000299765330 570175211 /nfs/dbraw/zinc/17/52/11/570175211.db2.gz FUGLYWWZUBHIQI-NDEPHWFRSA-N 1 0 494.611 2.740 50 0 JFAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)c4cnc5ccccn5c4=O)CC3)cc2)cn1 ZINC000299767251 570175362 /nfs/dbraw/zinc/17/53/62/570175362.db2.gz QDQRBCVDVCCCNR-UHFFFAOYSA-N 1 0 486.576 2.744 50 0 JFAARO COc1ccc([C@@]2(CC(=O)N(C)C[C@@H]3CC[N@H+](CC(C)C)C3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000299771563 570175877 /nfs/dbraw/zinc/17/58/77/570175877.db2.gz QYUPJIHYOKRQEZ-AFMDSPMNSA-N 1 0 455.599 2.681 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000299780469 570176515 /nfs/dbraw/zinc/17/65/15/570176515.db2.gz AKFHFDXZPJGPSH-LJQANCHMSA-N 1 0 456.587 2.619 50 0 JFAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@H](c1cccnc1)N1CCOCC1 ZINC000299791288 570176939 /nfs/dbraw/zinc/17/69/39/570176939.db2.gz CUUQWJKRFAZFGC-LADGPHEKSA-N 1 0 456.562 2.644 50 0 JFAARO C[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)Cc1ccccc1 ZINC000003047688 194217448 /nfs/dbraw/zinc/21/74/48/194217448.db2.gz WTPLJYRLMRCVFP-UHFFFAOYSA-N 1 0 496.633 2.955 50 0 JFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000009129896 194559737 /nfs/dbraw/zinc/55/97/37/194559737.db2.gz GCXJFLIZOGQBMB-ZBLLNPCUSA-N 1 0 459.930 2.811 50 0 JFAARO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)C1 ZINC000009211300 194599592 /nfs/dbraw/zinc/59/95/92/194599592.db2.gz YDVMFVPAOKLLCG-OALUTQOASA-N 1 0 453.635 2.863 50 0 JFAARO O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012606754 195051974 /nfs/dbraw/zinc/05/19/74/195051974.db2.gz USDAXHVTEHCIRQ-UHFFFAOYSA-N 1 0 468.564 2.979 50 0 JFAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012758364 195109658 /nfs/dbraw/zinc/10/96/58/195109658.db2.gz DFJTXXNTHGRZKM-IBGZPJMESA-N 1 0 497.621 2.627 50 0 JFAARO CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000012819103 195148427 /nfs/dbraw/zinc/14/84/27/195148427.db2.gz OUZVVHHFNXIHFZ-UHFFFAOYSA-N 1 0 466.401 2.883 50 0 JFAARO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012904887 195179067 /nfs/dbraw/zinc/17/90/67/195179067.db2.gz SWZBYMBYWQGSPP-GOSISDBHSA-N 1 0 453.461 2.839 50 0 JFAARO CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)c3c2)CC1 ZINC000020682086 195204077 /nfs/dbraw/zinc/20/40/77/195204077.db2.gz OJMIIJCFFRDAQP-SFHVURJKSA-N 1 0 474.627 2.553 50 0 JFAARO O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020687502 195205648 /nfs/dbraw/zinc/20/56/48/195205648.db2.gz QLSFLMGJNRKKQC-UHFFFAOYSA-N 1 0 468.001 2.601 50 0 JFAARO 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Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCCC3)cc12 ZINC000009597573 555414724 /nfs/dbraw/zinc/41/47/24/555414724.db2.gz VKXNELNDWDHBRW-UHFFFAOYSA-N 1 0 453.587 2.701 50 0 JFAARO O=C(NCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000009597637 555414735 /nfs/dbraw/zinc/41/47/35/555414735.db2.gz BQNLDQQSTBFOHD-UHFFFAOYSA-N 1 0 474.627 2.699 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000009603976 555430538 /nfs/dbraw/zinc/43/05/38/555430538.db2.gz LAYWGTIJWXODAK-UHFFFAOYSA-N 1 0 450.561 2.894 50 0 JFAARO Cc1cccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cc(C)ccc3C)CC2)c1 ZINC000009714289 555442665 /nfs/dbraw/zinc/44/26/65/555442665.db2.gz VQVBHHGJZJONFT-UHFFFAOYSA-N 1 0 472.593 2.719 50 0 JFAARO Cc1cccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(Cl)cc3)CC2)c1 ZINC000009714427 555443564 /nfs/dbraw/zinc/44/35/64/555443564.db2.gz PCAFSIOJPQXIRD-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009714428 555443576 /nfs/dbraw/zinc/44/35/76/555443576.db2.gz VOEJWIHPJBSFSV-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(Br)ccc3OCC)CC2)n1 ZINC000009620930 555457032 /nfs/dbraw/zinc/45/70/32/555457032.db2.gz OSEFHWIAKPYLSJ-UHFFFAOYSA-N 1 0 484.420 2.889 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000009726109 555459623 /nfs/dbraw/zinc/45/96/23/555459623.db2.gz QVKKMHZJKBQNJH-HXOBKFHXSA-N 1 0 457.596 2.973 50 0 JFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc1=O)CCC2 ZINC000009745519 555477045 /nfs/dbraw/zinc/47/70/45/555477045.db2.gz AEOIEBWFZBXYQL-UHFFFAOYSA-N 1 0 457.600 2.763 50 0 JFAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000013522606 555486352 /nfs/dbraw/zinc/48/63/52/555486352.db2.gz MVBSHUFHCPQGHS-FQEVSTJZSA-N 1 0 463.987 2.967 50 0 JFAARO CC[N@H+](CCCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O)Cc1ccccc1 ZINC000009775735 555492922 /nfs/dbraw/zinc/49/29/22/555492922.db2.gz OGKPFHSWBHIAOL-UHFFFAOYSA-N 1 0 497.665 3.000 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000009818491 555522665 /nfs/dbraw/zinc/52/26/65/555522665.db2.gz ULCBKZFBAZPOGJ-UHFFFAOYSA-N 1 0 457.596 2.542 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccc(O)cc13)[C@@H]1C(=O)N(C3CCCC3)C(=O)[C@@H]12 ZINC000013593515 555528882 /nfs/dbraw/zinc/52/88/82/555528882.db2.gz WFUNVFXFOWXOTM-OJXRJRMYSA-N 1 0 488.519 2.918 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000013811641 555628386 /nfs/dbraw/zinc/62/83/86/555628386.db2.gz PTZRFZNTGHBZIJ-RQXXJAGISA-N 1 0 452.308 2.880 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109005 555644241 /nfs/dbraw/zinc/64/42/41/555644241.db2.gz UCGNAQLAYWMPNH-JWQCQUIFSA-N 1 0 464.610 2.750 50 0 JFAARO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)CC2 ZINC000014022869 555673936 /nfs/dbraw/zinc/67/39/36/555673936.db2.gz CACLTDBUOWYEFQ-UHFFFAOYSA-N 1 0 481.549 2.668 50 0 JFAARO Cc1ccc(/C=C/C(=O)NCCCN2CC[NH+](CCCNC(=O)/C=C/c3ccc(C)o3)CC2)o1 ZINC000020166502 555677397 /nfs/dbraw/zinc/67/73/97/555677397.db2.gz GWMZFICSAWBNFD-WGDLNXRISA-N 1 0 468.598 2.846 50 0 aggregator JFAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c2c1 ZINC000014072503 555679195 /nfs/dbraw/zinc/67/91/95/555679195.db2.gz UCEADEOBUKIIMB-QFIPXVFZSA-N 1 0 488.585 2.730 50 0 JFAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000014093325 555685781 /nfs/dbraw/zinc/68/57/81/555685781.db2.gz HIYNDROYEUHNPI-WNCULLNHSA-N 1 0 456.546 2.998 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)Cc1ccccc1 ZINC000014197503 555729622 /nfs/dbraw/zinc/72/96/22/555729622.db2.gz HUNIXQPWHFYJPY-GOSISDBHSA-N 1 0 475.519 2.649 50 0 JFAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1S(=O)(=O)N(C)OC ZINC000014199881 555731463 /nfs/dbraw/zinc/73/14/63/555731463.db2.gz PVVMDIYPHSEAOU-UHFFFAOYSA-N 1 0 461.584 2.793 50 0 JFAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000014230738 555737009 /nfs/dbraw/zinc/73/70/09/555737009.db2.gz NNXZRWKTUDPGBD-HXUWFJFHSA-N 1 0 458.628 2.905 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)CC1 ZINC000020280311 555751258 /nfs/dbraw/zinc/75/12/58/555751258.db2.gz WJIJFKKKIQHZEP-UHFFFAOYSA-N 1 0 451.036 2.818 50 0 JFAARO CCOC(=O)C1=C(C[NH2+]CCc2cc(OC)c(OC)c(OC)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283227 555752769 /nfs/dbraw/zinc/75/27/69/555752769.db2.gz IGAVBFKNVMZJFY-QFIPXVFZSA-N 1 0 469.538 2.716 50 0 JFAARO CCOC(=O)C1=C(C[NH2+]CCc2cc(OC)c(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283224 555752878 /nfs/dbraw/zinc/75/28/78/555752878.db2.gz IGAVBFKNVMZJFY-JOCHJYFZSA-N 1 0 469.538 2.716 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288711 555758332 /nfs/dbraw/zinc/75/83/32/555758332.db2.gz FIMDZOILBUJIQJ-CVDCTZTESA-N 1 0 489.661 2.713 50 0 JFAARO CC1(C)CC(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC(C)(C)[NH2+]1 ZINC000011424076 555779636 /nfs/dbraw/zinc/77/96/36/555779636.db2.gz KOFGTXINTJLBAY-UHFFFAOYSA-N 1 0 453.513 2.785 50 0 JFAARO O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000020530445 555797512 /nfs/dbraw/zinc/79/75/12/555797512.db2.gz LZYADMUJDVNBFV-UHFFFAOYSA-N 1 0 468.579 2.821 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)CCc3nnc4ccc(N5CCOCC5)nn43)CC2)c1 ZINC000020530561 555797765 /nfs/dbraw/zinc/79/77/65/555797765.db2.gz UNDXQFFZZJONHB-UHFFFAOYSA-N 1 0 491.640 2.539 50 0 JFAARO Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCCN5CC[NH+](C)CC5)C4)sc3n2)cc1 ZINC000020531964 555800043 /nfs/dbraw/zinc/80/00/43/555800043.db2.gz GPCPZIMEBFYVKX-NRFANRHFSA-N 1 0 481.670 2.736 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563103 555814832 /nfs/dbraw/zinc/81/48/32/555814832.db2.gz BOFUDCZIYXBYPW-HXUWFJFHSA-N 1 0 450.587 2.970 50 0 JFAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(S(=O)(=O)N3CCSCC3)c2)C1 ZINC000014537698 555827355 /nfs/dbraw/zinc/82/73/55/555827355.db2.gz FUFJIMVWDGCNLE-OAQYLSRUSA-N 1 0 459.637 2.867 50 0 JFAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC000014538806 555828280 /nfs/dbraw/zinc/82/82/80/555828280.db2.gz KDTHQICTZDTOKF-INIZCTEOSA-N 1 0 452.477 2.921 50 0 JFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cccc4ncccc24)CC3)cc1 ZINC000020599581 555841244 /nfs/dbraw/zinc/84/12/44/555841244.db2.gz CCXDLLHMRBPEMV-UHFFFAOYSA-N 1 0 456.550 2.866 50 0 JFAARO C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000014998433 555842884 /nfs/dbraw/zinc/84/28/84/555842884.db2.gz VHFGMGYJCAOAJT-HXUWFJFHSA-N 1 0 456.656 3.000 50 0 JFAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000011870656 555846778 /nfs/dbraw/zinc/84/67/78/555846778.db2.gz KRFSBHJGWHJIAU-KRWDZBQOSA-N 1 0 465.529 2.813 50 0 JFAARO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000020776004 555847713 /nfs/dbraw/zinc/84/77/13/555847713.db2.gz YPUPDMNQSRQLHU-UHFFFAOYSA-N 1 0 479.581 2.735 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011903881 555852037 /nfs/dbraw/zinc/85/20/37/555852037.db2.gz DCQSLSLFLHEAHN-HYBUGGRVSA-N 1 0 482.606 2.951 50 0 JFAARO Cc1ccc(N2CCN(C(=O)C[C@]3(c4ccccc4F)CC(=O)N(CC[NH+](C)C)C3=O)CC2)c(C)c1 ZINC000011912578 555861338 /nfs/dbraw/zinc/86/13/38/555861338.db2.gz YQJGAXWSVYBYTQ-MUUNZHRXSA-N 1 0 494.611 2.740 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1cccs1 ZINC000022069683 555869858 /nfs/dbraw/zinc/86/98/58/555869858.db2.gz GKTJVAAFPCBKJC-LJQANCHMSA-N 1 0 493.651 2.729 50 0 JFAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011966255 555871923 /nfs/dbraw/zinc/87/19/23/555871923.db2.gz MYHHAUOVBWMNHP-IBGZPJMESA-N 1 0 461.566 2.918 50 0 JFAARO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000011997624 555879645 /nfs/dbraw/zinc/87/96/45/555879645.db2.gz NDDPCJVJMINDLM-QFIPXVFZSA-N 1 0 491.635 2.567 50 0 JFAARO COc1ccc(CCN2C(=O)N[C@@](C)(C3CC[NH+](Cc4ccc(OCCO)cc4)CC3)C2=O)cc1 ZINC000012000551 555882405 /nfs/dbraw/zinc/88/24/05/555882405.db2.gz GUAHJFNMCYVCMK-MHZLTWQESA-N 1 0 481.593 2.832 50 0 JFAARO C=Cc1ccc(C(=O)N2CCc3c(C(=O)OC)c(OCC[NH+]4CCCCC4)cc(=O)n3CC2)cc1 ZINC000012038917 555891932 /nfs/dbraw/zinc/89/19/32/555891932.db2.gz DVHIYFYDIIEOEW-UHFFFAOYSA-N 1 0 479.577 2.841 50 0 JFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000012039836 555892579 /nfs/dbraw/zinc/89/25/79/555892579.db2.gz GPUDNLPACRRPAK-VQHVLOKHSA-N 1 0 461.566 2.596 50 0 JFAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(OCCO)cc1)CC2 ZINC000012040066 555892838 /nfs/dbraw/zinc/89/28/38/555892838.db2.gz MPWPDOFTKAHTSE-FQEVSTJZSA-N 1 0 463.582 2.518 50 0 JFAARO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012049515 555895647 /nfs/dbraw/zinc/89/56/47/555895647.db2.gz OWFNRWDINVZANO-LJQANCHMSA-N 1 0 460.629 2.706 50 0 JFAARO COc1ccc(CCNC(=O)CC[C@H]2C[N@H+](CC(C)C)CC[C@H]2N2CCOCC2)cc1OC ZINC000012134127 555912749 /nfs/dbraw/zinc/91/27/49/555912749.db2.gz MVHRLZVIZCPZQV-XZOQPEGZSA-N 1 0 461.647 2.821 50 0 JFAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21 ZINC000012139783 555916183 /nfs/dbraw/zinc/91/61/83/555916183.db2.gz HRDDHJCMCGQPIZ-MSOLQXFVSA-N 1 0 476.643 2.656 50 0 JFAARO CN(C[C@@H]1Cc2ccccc2O1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012160277 555930514 /nfs/dbraw/zinc/93/05/14/555930514.db2.gz HCACUYDPWHJUFQ-AFMDSPMNSA-N 1 0 483.996 2.751 50 0 JFAARO CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000015677801 555941810 /nfs/dbraw/zinc/94/18/10/555941810.db2.gz MOFZBXXAEMWVMM-JOCHJYFZSA-N 1 0 488.629 2.783 50 0 JFAARO COc1ccc2c(c1)C[C@@H](C(=O)NCCC[N@H+](CCN1CCOCC1)Cc1cccs1)CO2 ZINC000022938016 555991065 /nfs/dbraw/zinc/99/10/65/555991065.db2.gz PSFCJJCBLOTAPM-OAQYLSRUSA-N 1 0 473.639 2.649 50 0 JFAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@H+](C)Cc4ccccc4)C3)ccc21 ZINC000015784495 556003486 /nfs/dbraw/zinc/00/34/86/556003486.db2.gz JTTJVXZFHZWTEH-QFIPXVFZSA-N 1 0 468.623 2.827 50 0 JFAARO Cc1ccccc1-n1c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nnc1N1CCOCC1 ZINC000012533918 556006221 /nfs/dbraw/zinc/00/62/21/556006221.db2.gz SQWGGGUMSQUSJO-JOCHJYFZSA-N 1 0 480.638 2.924 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181142 556027582 /nfs/dbraw/zinc/02/75/82/556027582.db2.gz PFJUEFXXEAORDF-XUZZJYLKSA-N 1 0 485.698 2.570 50 0 JFAARO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[NH+](C)C)cc1OC ZINC000012549021 556028217 /nfs/dbraw/zinc/02/82/17/556028217.db2.gz CQCIMVQDHNMLAP-FQEVSTJZSA-N 1 0 461.584 2.521 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)c(C)c2)CC1 ZINC000023186824 556029826 /nfs/dbraw/zinc/02/98/26/556029826.db2.gz SPGBVEOQVNJADE-MHZLTWQESA-N 1 0 475.593 2.859 50 0 JFAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000015862673 556035791 /nfs/dbraw/zinc/03/57/91/556035791.db2.gz MTDYJLXSTSCVDG-UHFFFAOYSA-N 1 0 459.612 2.633 50 0 JFAARO O=C(CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000015862704 556035818 /nfs/dbraw/zinc/03/58/18/556035818.db2.gz JUFMMEQOZBIJHX-UHFFFAOYSA-N 1 0 484.391 2.601 50 0 JFAARO COc1ccccc1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000015862655 556035835 /nfs/dbraw/zinc/03/58/35/556035835.db2.gz GNASGDGGJMUZOZ-UHFFFAOYSA-N 1 0 459.612 2.831 50 0 JFAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)c(C)c1 ZINC000015864192 556039028 /nfs/dbraw/zinc/03/90/28/556039028.db2.gz YJFLQTMQBRYWCF-UHFFFAOYSA-N 1 0 450.004 2.888 50 0 JFAARO Cc1nonc1CN(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000023362903 556049676 /nfs/dbraw/zinc/04/96/76/556049676.db2.gz XCVJVAXGILVYJW-UHFFFAOYSA-N 1 0 467.545 2.969 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023935102 556101639 /nfs/dbraw/zinc/10/16/39/556101639.db2.gz CMUPLXRWPSUCKH-UHFFFAOYSA-N 1 0 494.617 2.811 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024813 556115339 /nfs/dbraw/zinc/11/53/39/556115339.db2.gz FUUWESJRHWQYMX-VKDGWMQASA-N 1 0 453.926 2.809 50 0 JFAARO Cc1cc(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)ccc1N1CC[NH+](C)CC1 ZINC000024576666 556137105 /nfs/dbraw/zinc/13/71/05/556137105.db2.gz PLDLBVCQMFDYDG-IBGZPJMESA-N 1 0 481.622 2.546 50 0 JFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012926050 556144386 /nfs/dbraw/zinc/14/43/86/556144386.db2.gz QIYXXDSQXDLYPE-UHFFFAOYSA-N 1 0 456.612 2.640 50 0 JFAARO COc1ccc([C@H](CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)[NH+]2CCCC2)cc1 ZINC000012936286 556151051 /nfs/dbraw/zinc/15/10/51/556151051.db2.gz MPVPMNHTSSGAAB-QHCPKHFHSA-N 1 0 496.633 2.809 50 0 JFAARO O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012975985 556168771 /nfs/dbraw/zinc/16/87/71/556168771.db2.gz GUEVYOJIHGUMAV-UHFFFAOYSA-N 1 0 480.428 2.898 50 0 JFAARO Cc1nc(C)c(C(=O)NCCn2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000016991851 556195488 /nfs/dbraw/zinc/19/54/88/556195488.db2.gz NIGRGZUNLBUECV-UHFFFAOYSA-N 1 0 476.610 2.652 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1cccc(F)c1 ZINC000013020397 556211439 /nfs/dbraw/zinc/21/14/39/556211439.db2.gz BXGQFGDEBCLHSQ-FQEVSTJZSA-N 1 0 469.529 2.924 50 0 JFAARO COc1ccc(Cn2c(=O)c3ccccc3n(CC[NH2+]C[C@H]3COc4ccccc4O3)c2=O)cc1 ZINC000025578932 556224353 /nfs/dbraw/zinc/22/43/53/556224353.db2.gz MHLOGGRMOVAXNR-NRFANRHFSA-N 1 0 473.529 2.650 50 0 JFAARO Cc1cc(O[C@H](C)C(=O)O[C@H](CN2C(=O)c3ccccc3C2=O)CN2CC[NH+](C)CC2)ccc1Cl ZINC000028293240 556329581 /nfs/dbraw/zinc/32/95/81/556329581.db2.gz MKQQFVMCLBJMNI-QUCCMNQESA-N 1 0 499.995 2.871 50 0 JFAARO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000028724848 556340342 /nfs/dbraw/zinc/34/03/42/556340342.db2.gz FPZFRBTWPWRXBL-OAQYLSRUSA-N 1 0 489.624 2.605 50 0 JFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000019740765 556364111 /nfs/dbraw/zinc/36/41/11/556364111.db2.gz MAUIJYIPPQQPBN-UHFFFAOYSA-N 1 0 453.539 2.846 50 0 JFAARO O=C(c1ccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCC3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000019799278 556376496 /nfs/dbraw/zinc/37/64/96/556376496.db2.gz UKKQBQOUPKXJFH-QHCPKHFHSA-N 1 0 484.685 2.735 50 0 JFAARO CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000032533496 556444173 /nfs/dbraw/zinc/44/41/73/556444173.db2.gz LLAGBNSBSJEPFE-UHFFFAOYSA-N 1 0 458.566 2.945 50 0 JFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032759414 556487628 /nfs/dbraw/zinc/48/76/28/556487628.db2.gz CEIKSRLUCJGEGG-HSZRJFAPSA-N 1 0 452.574 2.612 50 0 JFAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C/c2ccccc2)CC1 ZINC000056952842 569593627 /nfs/dbraw/zinc/59/36/27/569593627.db2.gz MABRUVUFQYKVJH-XYOKQWHBSA-N 1 0 470.577 2.767 50 0 JFAARO O=C(Cc1cccs1)NCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000056965559 569593809 /nfs/dbraw/zinc/59/38/09/569593809.db2.gz GVZQOZYFPKQYME-UHFFFAOYSA-N 1 0 461.595 2.569 50 0 JFAARO C[C@@H](CCNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)[NH+]1CCCC1 ZINC000032987571 569609543 /nfs/dbraw/zinc/60/95/43/569609543.db2.gz RKQIZIRFBROYNA-AWEZNQCLSA-N 1 0 451.980 2.951 50 0 JFAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000061997618 569610057 /nfs/dbraw/zinc/61/00/57/569610057.db2.gz NSFCZYVYLZWZDW-KKPNIWNPSA-N 1 0 459.502 2.660 50 0 biogenic JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000062620545 569613246 /nfs/dbraw/zinc/61/32/46/569613246.db2.gz UVFOIWQBINBUDZ-NYVOZVTQSA-N 1 0 493.670 2.968 50 0 JFAARO COc1cc2[nH]c(=O)n(CCCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OC ZINC000064438436 569616636 /nfs/dbraw/zinc/61/66/36/569616636.db2.gz SYZXMKQLBJBYFF-UHFFFAOYSA-N 1 0 494.592 2.658 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)s2)cc1 ZINC000033024538 569619975 /nfs/dbraw/zinc/61/99/75/569619975.db2.gz MXYNHXFCNGPJLC-UHFFFAOYSA-N 1 0 498.653 2.943 50 0 JFAARO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839619 569637338 /nfs/dbraw/zinc/63/73/38/569637338.db2.gz NRJQQRAIFHWRIC-HXUWFJFHSA-N 1 0 472.593 2.778 50 0 JFAARO COc1cc(NC(=O)N2CCC(CC(=O)NCCC[NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000064846826 569638821 /nfs/dbraw/zinc/63/88/21/569638821.db2.gz DGPPMYWGJJFTDC-UHFFFAOYSA-N 1 0 462.591 2.949 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000065025167 569650319 /nfs/dbraw/zinc/65/03/19/569650319.db2.gz ZEXLHNCUCQEWEG-UHFFFAOYSA-N 1 0 465.579 2.530 50 0 JFAARO CCn1c2c(ccn2CC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c(=O)n(CC)c1=O ZINC000065030885 569652113 /nfs/dbraw/zinc/65/21/13/569652113.db2.gz FRNPAKJPXWYNQY-UHFFFAOYSA-N 1 0 486.016 2.686 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000065061350 569655392 /nfs/dbraw/zinc/65/53/92/569655392.db2.gz QDZVGUJOITVNFY-UHFFFAOYSA-N 1 0 462.616 2.721 50 0 JFAARO COc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cc(C)ccc2C)CC3)cc1 ZINC000065074752 569657443 /nfs/dbraw/zinc/65/74/43/569657443.db2.gz GVDGTSZMKUADLF-UHFFFAOYSA-N 1 0 456.612 2.627 50 0 biogenic JFAARO COc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cc(C)c(C)cc2C)CC3)c1 ZINC000065074887 569657595 /nfs/dbraw/zinc/65/75/95/569657595.db2.gz LMWOCVLADFYFBJ-UHFFFAOYSA-N 1 0 470.639 2.935 50 0 biogenic JFAARO CC[NH+]1CCN(CCCNC(=O)c2ncoc2-c2ccccc2C(=O)N2CCCCC2)CC1 ZINC000065080031 569659421 /nfs/dbraw/zinc/65/94/21/569659421.db2.gz HBTXTMHDUZQZNM-UHFFFAOYSA-N 1 0 453.587 2.725 50 0 JFAARO CC(C)c1cc(=O)n(CC2CC2)c2cc(OCC(=O)N3CCN(CC[NH+](C)C)CC3)ccc12 ZINC000034836285 569665273 /nfs/dbraw/zinc/66/52/73/569665273.db2.gz JXZVPYUVODTXGQ-UHFFFAOYSA-N 1 0 454.615 2.620 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1nc(CCS(=O)(=O)c2ccccc2)no1 ZINC000065117270 569667191 /nfs/dbraw/zinc/66/71/91/569667191.db2.gz DOMUEPCNGOSMIC-UHFFFAOYSA-N 1 0 486.569 2.867 50 0 JFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314160 569672256 /nfs/dbraw/zinc/67/22/56/569672256.db2.gz XDZWGIRTCXLAPD-RUZDIDTESA-N 1 0 471.605 2.683 50 0 JFAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)CC1 ZINC000065329732 569674896 /nfs/dbraw/zinc/67/48/96/569674896.db2.gz UKLDMFRTFSIMPY-UHFFFAOYSA-N 1 0 481.597 2.905 50 0 JFAARO O=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CC[NH2+]CC1 ZINC000035226073 569678574 /nfs/dbraw/zinc/67/85/74/569678574.db2.gz ZQDFYJZSRLUMBM-QFIPXVFZSA-N 1 0 498.649 2.685 50 0 JFAARO CCOc1cc([C@@H]2NC(=O)NC(CN3CCC([NH+]4CCCCC4)CC3)=C2C(=O)OC)ccc1O ZINC000067285626 569683322 /nfs/dbraw/zinc/68/33/22/569683322.db2.gz AMLWQABIBUYFQP-QHCPKHFHSA-N 1 0 472.586 2.522 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1Cl ZINC000067602194 569688763 /nfs/dbraw/zinc/68/87/63/569688763.db2.gz PYSUGMFROMYDBA-UHFFFAOYSA-N 1 0 451.980 2.558 50 0 JFAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399156 569689638 /nfs/dbraw/zinc/68/96/38/569689638.db2.gz SUQSDAISQHJPPE-NRFANRHFSA-N 1 0 490.670 2.521 50 0 JFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 ZINC000035401167 569690861 /nfs/dbraw/zinc/69/08/61/569690861.db2.gz FNHZSZWFFNKHSP-UHFFFAOYSA-N 1 0 491.684 2.617 50 0 JFAARO O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NCCC[NH+]1CCCCC1 ZINC000035402714 569691200 /nfs/dbraw/zinc/69/12/00/569691200.db2.gz FMBMENXXLUQODS-UHFFFAOYSA-N 1 0 458.628 2.744 50 0 JFAARO O=C(CNC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1)N[C@H]1CCCc2ccccc21 ZINC000069393600 569692859 /nfs/dbraw/zinc/69/28/59/569692859.db2.gz YQWCTGWPYPGQTJ-ZSQFBXSQSA-N 1 0 488.632 2.812 50 0 JFAARO CN(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000070006556 569694604 /nfs/dbraw/zinc/69/46/04/569694604.db2.gz DKAAIEXRCFNTEW-MHZLTWQESA-N 1 0 475.593 2.894 50 0 JFAARO CN(CCCC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)S(=O)(=O)c1cccs1 ZINC000070038795 569695067 /nfs/dbraw/zinc/69/50/67/569695067.db2.gz KHWBVVWPPLBVSO-UHFFFAOYSA-N 1 0 478.640 2.565 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)c1C ZINC000035510231 569698068 /nfs/dbraw/zinc/69/80/68/569698068.db2.gz FWSASQSYQWCVQP-FQEVSTJZSA-N 1 0 460.619 2.582 50 0 JFAARO CC(C)C[C@H](CNC(=O)N[C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1)N1CCOCC1 ZINC000071846866 569698904 /nfs/dbraw/zinc/69/89/04/569698904.db2.gz LQQLSICXMIIJOV-RPBOFIJWSA-N 1 0 459.679 2.800 50 0 JFAARO CC[NH+](CC)CCCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC000035527865 569699562 /nfs/dbraw/zinc/69/95/62/569699562.db2.gz KCPZBUHJWGFWTP-UHFFFAOYSA-N 1 0 463.604 2.619 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000035780368 569711077 /nfs/dbraw/zinc/71/10/77/569711077.db2.gz JDQMDACKEZXFOY-ZZWZOVRCSA-N 1 0 473.529 2.911 50 0 biogenic JFAARO CN(Cc1ccccc1)Cc1c(O)c(=O)cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1C ZINC000085874985 569715643 /nfs/dbraw/zinc/71/56/43/569715643.db2.gz AZOVDONMMZHDQV-RTWAWAEBSA-N 1 0 460.578 2.504 50 0 biogenic JFAARO O=C(C1CCCCC1)N1CCCN(c2nc(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)[nH]2)CC1 ZINC000035926699 569729871 /nfs/dbraw/zinc/72/98/71/569729871.db2.gz DQEBGTIQKRVWHD-UHFFFAOYSA-N 1 0 484.689 2.839 50 0 JFAARO Cc1ccc(C[NH+]2CCN(c3nc(CN4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926912 569730077 /nfs/dbraw/zinc/73/00/77/569730077.db2.gz XWKVMNSOQSKXAQ-UHFFFAOYSA-N 1 0 476.600 2.862 50 0 JFAARO COc1ccc(C[NH+]2CCC(NC(=O)CCc3nc(-c4ccncc4)no3)CC2)cc1OC ZINC000096117126 569735649 /nfs/dbraw/zinc/73/56/49/569735649.db2.gz QQIHGCVOIJMJAI-UHFFFAOYSA-N 1 0 451.527 2.862 50 0 JFAARO CCN1C2=C(C(=O)N(CCC(=O)NCC[NH+](C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967186 569738718 /nfs/dbraw/zinc/73/87/18/569738718.db2.gz AAJFECXZHZGAOI-VWLOTQADSA-N 1 0 491.592 2.729 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4cccc(F)c4)CC3)C2=O)cc1 ZINC000100191387 569755031 /nfs/dbraw/zinc/75/50/31/569755031.db2.gz YYHFZPIDTDVWKX-OAQYLSRUSA-N 1 0 467.497 2.529 50 0 JFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341842 569764942 /nfs/dbraw/zinc/76/49/42/569764942.db2.gz XUZPVLPXXFEKPR-QFIPXVFZSA-N 1 0 450.539 2.739 50 0 JFAARO COc1ccc(CCN2C[C@@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2=O)cc1OC ZINC000036717825 569780398 /nfs/dbraw/zinc/78/03/98/569780398.db2.gz YESNFLHOLVIHBI-QFIPXVFZSA-N 1 0 453.583 2.733 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21 ZINC000037275072 569782003 /nfs/dbraw/zinc/78/20/03/569782003.db2.gz JCWLWOOUUBWVJD-INIZCTEOSA-N 1 0 489.519 2.798 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3cc(C)ccc3F)cc21 ZINC000037275144 569782075 /nfs/dbraw/zinc/78/20/75/569782075.db2.gz QKIHBVYLHSBTGP-SFHVURJKSA-N 1 0 485.556 2.968 50 0 JFAARO CCc1ccccc1OCC(=O)c1ccc2c(c1)N(CCCC(=O)NCC[NH+](C)C)C(=O)CO2 ZINC000037512896 569792445 /nfs/dbraw/zinc/79/24/45/569792445.db2.gz YWGQPFRQKSTAFU-UHFFFAOYSA-N 1 0 467.566 2.694 50 0 JFAARO O=C(CN1C(=O)COc2ccc(C(=O)COc3cccc(Cl)c3)cc21)NCC[NH+]1CCCC1 ZINC000037519758 569792720 /nfs/dbraw/zinc/79/27/20/569792720.db2.gz FYTPYCGEMVIVHY-UHFFFAOYSA-N 1 0 471.941 2.539 50 0 JFAARO C[NH+](C)CCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C(C)(C)C)CC2)CC1 ZINC000037525522 569793554 /nfs/dbraw/zinc/79/35/54/569793554.db2.gz CGSQIZPGCNWWCY-UHFFFAOYSA-N 1 0 457.663 2.527 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455201 569829520 /nfs/dbraw/zinc/82/95/20/569829520.db2.gz IMEVLCBQSFHUQD-UHFFFAOYSA-N 1 0 470.533 2.736 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 ZINC000049581209 569849059 /nfs/dbraw/zinc/84/90/59/569849059.db2.gz FROSIILCFGPCOT-DVECYGJZSA-N 1 0 476.595 2.944 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000106615438 569854360 /nfs/dbraw/zinc/85/43/60/569854360.db2.gz BOBVNJRGZDPLJE-DNVCBOLYSA-N 1 0 494.386 2.895 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000106615613 569854386 /nfs/dbraw/zinc/85/43/86/569854386.db2.gz GDXOKXWETWXHOQ-OXQOHEQNSA-N 1 0 461.584 2.855 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000106615610 569854395 /nfs/dbraw/zinc/85/43/95/569854395.db2.gz GDXOKXWETWXHOQ-OXJNMPFZSA-N 1 0 461.584 2.855 50 0 JFAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COC ZINC000169680320 569870294 /nfs/dbraw/zinc/87/02/94/569870294.db2.gz ZGSDWISWEDRJAH-UYAOXDASSA-N 1 0 462.612 2.981 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COC ZINC000169681547 569870709 /nfs/dbraw/zinc/87/07/09/569870709.db2.gz WLLVRQINRMHFKD-OFNKIYASSA-N 1 0 476.639 2.907 50 0 JFAARO COc1ccc(I)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000225542863 570004295 /nfs/dbraw/zinc/00/42/95/570004295.db2.gz BDJOEGHDAORXSQ-UHFFFAOYSA-N 1 0 452.358 2.887 50 0 JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000226946067 570039492 /nfs/dbraw/zinc/03/94/92/570039492.db2.gz CQYYRDHSQVXCHO-DYESRHJHSA-N 1 0 459.543 2.532 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000230071249 570044440 /nfs/dbraw/zinc/04/44/40/570044440.db2.gz CJKOZYLAMNPKQZ-JTAQYXEDSA-N 1 0 486.638 2.913 50 0 JFAARO COCCN(C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245279554 570061500 /nfs/dbraw/zinc/06/15/00/570061500.db2.gz HZKUIXGWKRCXFI-IFMALSPDSA-N 1 0 470.566 2.761 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@@]23C(=O)Nc2c3ccc(C)c2C)cc1 ZINC000253382835 570095310 /nfs/dbraw/zinc/09/53/10/570095310.db2.gz JKOSDNYQCOIACX-NFPANJHRSA-N 1 0 451.523 2.625 50 0 JFAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000253389762 570095671 /nfs/dbraw/zinc/09/56/71/570095671.db2.gz LHDDXPFSFBAXCS-LEWJYISDSA-N 1 0 463.550 2.696 50 0 JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263586138 570171582 /nfs/dbraw/zinc/17/15/82/570171582.db2.gz QOEFAUQEHOMKAN-ITAIVJFTSA-N 1 0 457.615 2.954 50 0 biogenic JFAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@H](c1cccnc1)N1CCOCC1 ZINC000299791275 570177055 /nfs/dbraw/zinc/17/70/55/570177055.db2.gz CUUQWJKRFAZFGC-ISKFKSNPSA-N 1 0 456.562 2.644 50 0 JFAARO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+]CC1(N2CCOCC2)CCCC1 ZINC000299798342 570177422 /nfs/dbraw/zinc/17/74/22/570177422.db2.gz QUSGOQBDZRJQNI-UHFFFAOYSA-N 1 0 493.608 2.636 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002959061 194180812 /nfs/dbraw/zinc/18/08/12/194180812.db2.gz XVRPBLOIAFOCGA-FGZHOGPDSA-N 1 0 484.647 2.761 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177802 194383008 /nfs/dbraw/zinc/38/30/08/194383008.db2.gz YWCNMBCALREMOS-UHFFFAOYSA-N 1 0 464.613 2.509 50 0 JFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000004294664 194387581 /nfs/dbraw/zinc/38/75/81/194387581.db2.gz JXNIYCDCPMVART-IMIIHFCZSA-N 1 0 457.461 2.699 50 0 JFAARO COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000009793944 194967863 /nfs/dbraw/zinc/96/78/63/194967863.db2.gz WSFNIHKUYIKEHT-IBGZPJMESA-N 1 0 459.568 2.920 50 0 JFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000009933853 195026100 /nfs/dbraw/zinc/02/61/00/195026100.db2.gz XHIHNBBQTZNRPU-OAQYLSRUSA-N 1 0 491.997 2.814 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000012616090 195054890 /nfs/dbraw/zinc/05/48/90/195054890.db2.gz CUJJRRPSVQVXPM-UHFFFAOYSA-N 1 0 471.623 2.932 50 0 JFAARO CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766974 195114516 /nfs/dbraw/zinc/11/45/16/195114516.db2.gz WTVSXZMCWHBPMN-FQEVSTJZSA-N 1 0 474.403 2.989 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2C)CC1 ZINC000012769967 195117035 /nfs/dbraw/zinc/11/70/35/195117035.db2.gz JPSBVDLTFIXOHH-LJQANCHMSA-N 1 0 464.566 2.900 50 0 JFAARO C[NH+](C)Cc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012816974 195147253 /nfs/dbraw/zinc/14/72/53/195147253.db2.gz IWSUPOQNUQKLTO-UHFFFAOYSA-N 1 0 457.021 2.679 50 0 JFAARO CC(C)(CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[NH+]1CCCCC1 ZINC000012887146 195170932 /nfs/dbraw/zinc/17/09/32/195170932.db2.gz BTNIBPDWWQTQNO-UHFFFAOYSA-N 1 0 453.513 2.740 50 0 JFAARO COc1cc(OC)c2c(C)c(CC(=O)NCC3([NH+]4CCN(C)CC4)CCCCC3)c(=O)oc2c1 ZINC000020623024 195190716 /nfs/dbraw/zinc/19/07/16/195190716.db2.gz NJYASCROTXYKQP-UHFFFAOYSA-N 1 0 471.598 2.728 50 0 JFAARO CC[C@H]1Oc2ccccc2N(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000020687267 195205444 /nfs/dbraw/zinc/20/54/44/195205444.db2.gz PRFATOHZWUOYLC-HSZRJFAPSA-N 1 0 450.583 2.515 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)CC1 ZINC000020726683 195207849 /nfs/dbraw/zinc/20/78/49/195207849.db2.gz BBSLAUWNIUYLKO-NKFKGCMQSA-N 1 0 450.608 2.920 50 0 JFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000020781551 195225007 /nfs/dbraw/zinc/22/50/07/195225007.db2.gz RFGKJTVHGBWZRU-MRXNPFEDSA-N 1 0 460.550 2.716 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)CC1 ZINC000020900475 195241501 /nfs/dbraw/zinc/24/15/01/195241501.db2.gz OVEBYGXTAZVXEQ-UHFFFAOYSA-N 1 0 459.664 2.857 50 0 JFAARO CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020917938 195246857 /nfs/dbraw/zinc/24/68/57/195246857.db2.gz XDYNHQRNRACRRS-OAQYLSRUSA-N 1 0 488.629 3.000 50 0 JFAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000021023231 195268434 /nfs/dbraw/zinc/26/84/34/195268434.db2.gz YPOKHIAAJHRPRN-XMMPIXPASA-N 1 0 490.670 2.520 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccc(OC)c1 ZINC000021071241 195273652 /nfs/dbraw/zinc/27/36/52/195273652.db2.gz KWCPOMDSEWIJNR-YIXXDRMTSA-N 1 0 478.593 2.978 50 0 JFAARO Cc1nc2ccc(S(=O)(=O)N3CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC3)cc2s1 ZINC000021114457 195278469 /nfs/dbraw/zinc/27/84/69/195278469.db2.gz XMDXUFTVIYCWHB-UHFFFAOYSA-N 1 0 458.613 2.814 50 0 JFAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000021534256 195310498 /nfs/dbraw/zinc/31/04/98/195310498.db2.gz JMFBROADFWOZIS-UHFFFAOYSA-N 1 0 459.612 2.831 50 0 JFAARO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)c1 ZINC000021534451 195310848 /nfs/dbraw/zinc/31/08/48/195310848.db2.gz VIOJMAXUHKYTOD-UHFFFAOYSA-N 1 0 480.428 2.770 50 0 JFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938330 195337708 /nfs/dbraw/zinc/33/77/08/195337708.db2.gz ZOZCVERLQBONHQ-VWLOTQADSA-N 1 0 461.610 2.935 50 0 JFAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000058160763 195368967 /nfs/dbraw/zinc/36/89/67/195368967.db2.gz QXIQHUKZDAINDY-CABCVRRESA-N 1 0 453.511 2.664 50 0 JFAARO CC1CC[NH+]([C@@H](CNC(=O)NCCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000058171866 195371002 /nfs/dbraw/zinc/37/10/02/195371002.db2.gz HOYGRTTYHNTVME-INIZCTEOSA-N 1 0 456.659 2.772 50 0 JFAARO Cc1cc(C)cc(-n2ccn3c(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)nnc3c2=O)c1 ZINC000021540497 195313585 /nfs/dbraw/zinc/31/35/85/195313585.db2.gz KLLUYRTVSZNGMS-UHFFFAOYSA-N 1 0 462.598 2.907 50 0 JFAARO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613435 195426603 /nfs/dbraw/zinc/42/66/03/195426603.db2.gz CENZDJFXGCBZDC-SJORKVTESA-N 1 0 487.066 2.936 50 0 JFAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 ZINC000022693749 519730042 /nfs/dbraw/zinc/73/00/42/519730042.db2.gz NGEOHWDCXFJCOY-AWEZNQCLSA-N 1 0 464.415 2.521 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034235 519731942 /nfs/dbraw/zinc/73/19/42/519731942.db2.gz XPOHZYTWIUDFPB-UHFFFAOYSA-N 1 0 485.610 2.528 50 0 JFAARO CCCC(=O)OC[C@@H](O)C[NH2+][C@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160600 519881424 /nfs/dbraw/zinc/88/14/24/519881424.db2.gz WTEGMTYVVQGDLJ-KXBFYZLASA-N 1 0 451.520 2.753 50 0 JFAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033260343 520612583 /nfs/dbraw/zinc/61/25/83/520612583.db2.gz RPTZNLDVQOHCCM-UHFFFAOYSA-N 1 0 453.566 2.995 50 0 JFAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033259193 520617926 /nfs/dbraw/zinc/61/79/26/520617926.db2.gz VCXUWOIDXJHRJL-QFIPXVFZSA-N 1 0 476.625 2.904 50 0 JFAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C1CCC1 ZINC000036069272 520641947 /nfs/dbraw/zinc/64/19/47/520641947.db2.gz UJKORFKCSXQNAV-UHFFFAOYSA-N 1 0 478.641 2.763 50 0 JFAARO CCC[C@@]1(C2CCN(C(=O)c3cccnc3OC)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000014889369 520956444 /nfs/dbraw/zinc/95/64/44/520956444.db2.gz RRMWRFIVZFUMGS-CLOONOSVSA-N 1 0 471.602 2.517 50 0 JFAARO CC1CC[NH+](CCCNC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 ZINC000008931725 521003429 /nfs/dbraw/zinc/00/34/29/521003429.db2.gz XFVSGLTVSTZCEQ-UHFFFAOYSA-N 1 0 453.587 2.690 50 0 JFAARO CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[NH+]4CCCCCC4)c3c2)CC1 ZINC000008662023 521032352 /nfs/dbraw/zinc/03/23/52/521032352.db2.gz COMHUGHEQZJZJX-UHFFFAOYSA-N 1 0 488.654 2.945 50 0 JFAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000018077714 521093683 /nfs/dbraw/zinc/09/36/83/521093683.db2.gz MSXBMLBAEGWVNG-LEWJYISDSA-N 1 0 470.957 2.877 50 0 JFAARO CCC[C@]1(C2CCN(C(=O)c3cccnc3OC)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000014889367 521314356 /nfs/dbraw/zinc/31/43/56/521314356.db2.gz RRMWRFIVZFUMGS-UQBPGWFLSA-N 1 0 471.602 2.517 50 0 JFAARO CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000020511690 521490525 /nfs/dbraw/zinc/49/05/25/521490525.db2.gz JDMPIPMQQWLVTH-OAQYLSRUSA-N 1 0 480.675 2.861 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1 ZINC000020415767 521681191 /nfs/dbraw/zinc/68/11/91/521681191.db2.gz UXZHZOXWTNIHQL-UHFFFAOYSA-N 1 0 486.620 2.543 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000020514786 521683931 /nfs/dbraw/zinc/68/39/31/521683931.db2.gz VRTYKMQCGDPPMI-NDEPHWFRSA-N 1 0 468.417 2.717 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C1=O ZINC000014969955 521758830 /nfs/dbraw/zinc/75/88/30/521758830.db2.gz DHYQTHBQFWAMRC-MHZLTWQESA-N 1 0 498.574 2.841 50 0 JFAARO CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000014996689 521925542 /nfs/dbraw/zinc/92/55/42/521925542.db2.gz WJFJCRTZXBTUJJ-QHCPKHFHSA-N 1 0 472.589 2.845 50 0 JFAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000045966750 522062432 /nfs/dbraw/zinc/06/24/32/522062432.db2.gz PFOXTOUYFXOINJ-LJQANCHMSA-N 1 0 469.582 2.780 50 0 JFAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000033259112 522166908 /nfs/dbraw/zinc/16/69/08/522166908.db2.gz JJDTZHLYAMYILS-OAQYLSRUSA-N 1 0 462.598 2.572 50 0 JFAARO COc1cc(N2C[C@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)cc(OC)c1OC ZINC000043729328 522639316 /nfs/dbraw/zinc/63/93/16/522639316.db2.gz ABBIVUJFWKDWPV-APWZRJJASA-N 1 0 459.518 2.624 50 0 JFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970740 523020519 /nfs/dbraw/zinc/02/05/19/523020519.db2.gz VGHKRNPYHKISMN-FQEVSTJZSA-N 1 0 450.587 2.970 50 0 JFAARO COc1cc2nc(CSCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]c(=O)c2cc1OC ZINC000036569368 523068197 /nfs/dbraw/zinc/06/81/97/523068197.db2.gz LCVVTZARYONMQS-CRAIPNDOSA-N 1 0 460.600 2.554 50 0 JFAARO CCn1c(=O)c(N2CCC(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)nc2cccnc21 ZINC000033258974 523100476 /nfs/dbraw/zinc/10/04/76/523100476.db2.gz VMOJJYRQHKMNNN-UHFFFAOYSA-N 1 0 454.619 2.799 50 0 JFAARO 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C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCC[NH+]4CCCCCC4)c3c2)C1 ZINC000008662071 524105267 /nfs/dbraw/zinc/10/52/67/524105267.db2.gz IRDXGVMHTMECHW-SFHVURJKSA-N 1 0 474.627 2.555 50 0 JFAARO C[C@H](CCc1ccccc1)NC(=O)Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000044892542 524243682 /nfs/dbraw/zinc/24/36/82/524243682.db2.gz SIRIWADAKGECOQ-JOCHJYFZSA-N 1 0 459.594 2.703 50 0 JFAARO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)C[C@H](C)c1ccccc1 ZINC000045974477 524248384 /nfs/dbraw/zinc/24/83/84/524248384.db2.gz JLJSVRZMNQNXPO-KRWDZBQOSA-N 1 0 466.003 2.575 50 0 JFAARO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033719 524324704 /nfs/dbraw/zinc/32/47/04/524324704.db2.gz HJWQOAMOGGFBKB-NRFANRHFSA-N 1 0 486.638 2.731 50 0 JFAARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccnc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023203191 524490015 /nfs/dbraw/zinc/49/00/15/524490015.db2.gz GFMAPUXLFSDNFQ-SANMLTNESA-N 1 0 471.605 2.682 50 0 JFAARO 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COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022784502 525062056 /nfs/dbraw/zinc/06/20/56/525062056.db2.gz JOJZDVLGOJWEHZ-VWLOTQADSA-N 1 0 466.607 2.928 50 0 JFAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033032978 525077039 /nfs/dbraw/zinc/07/70/39/525077039.db2.gz DEDYXYPWJAOKQZ-UHFFFAOYSA-N 1 0 472.611 2.778 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)[NH+]2CCCC2)cc1 ZINC000014068658 525184349 /nfs/dbraw/zinc/18/43/49/525184349.db2.gz NLMOYRPXHRSKMS-XMMPIXPASA-N 1 0 487.622 2.591 50 0 JFAARO Cc1ccc(NC(=O)c2ccc3oc(=O)n(CC(=O)N4CC[NH+](CC(C)C)CC4)c3c2)cc1 ZINC000033307471 525242441 /nfs/dbraw/zinc/24/24/41/525242441.db2.gz OTACKFBWYMHGON-UHFFFAOYSA-N 1 0 450.539 2.955 50 0 JFAARO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O ZINC000014235318 525331388 /nfs/dbraw/zinc/33/13/88/525331388.db2.gz ZIOIERCNVNBCJW-HHHXNRCGSA-N 1 0 456.546 2.951 50 0 JFAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCN1CC[NH+](C)CC1)C3=O ZINC000021857991 525644461 /nfs/dbraw/zinc/64/44/61/525644461.db2.gz OQKBZVWVMUGFLG-MUUNZHRXSA-N 1 0 495.668 2.951 50 0 JFAARO COc1cccc(-n2c(CNC(=O)CSc3ccccn3)nnc2SCC[NH+](C)C)c1 ZINC000014988495 525745815 /nfs/dbraw/zinc/74/58/15/525745815.db2.gz XRCUHVPBPWETKE-UHFFFAOYSA-N 1 0 458.613 2.733 50 0 JFAARO Cc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)cc1 ZINC000014993514 526109628 /nfs/dbraw/zinc/10/96/28/526109628.db2.gz LKSMKRJDOSEQBS-DEOSSOPVSA-N 1 0 464.610 2.542 50 0 JFAARO O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004763446 526468450 /nfs/dbraw/zinc/46/84/50/526468450.db2.gz FOJOWDYRTRHKRW-UHFFFAOYSA-N 1 0 490.029 2.513 50 0 JFAARO O=C(CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000045944299 526475248 /nfs/dbraw/zinc/47/52/48/526475248.db2.gz FQJCHXXHNVVCHH-UHFFFAOYSA-N 1 0 480.428 2.504 50 0 JFAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000024750929 526494491 /nfs/dbraw/zinc/49/44/91/526494491.db2.gz IDARZKYYOMZIJW-INIZCTEOSA-N 1 0 462.622 2.927 50 0 JFAARO Cn1c(=O)c(N2CCC(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)CC2)nc2cccnc21 ZINC000033259114 527022632 /nfs/dbraw/zinc/02/26/32/527022632.db2.gz AGXAIYLZFHWXAD-UHFFFAOYSA-N 1 0 492.599 2.712 50 0 JFAARO O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H]([NH2+]Cc3nc(-c4ccc(F)cc4)cs3)C[C@@H]12 ZINC000014754292 527082312 /nfs/dbraw/zinc/08/23/12/527082312.db2.gz QDMSLOVYKDPVHZ-ONTIZHBOSA-N 1 0 480.565 2.724 50 0 JFAARO Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020137379 527111389 /nfs/dbraw/zinc/11/13/89/527111389.db2.gz GXSTVGXRAOVEHR-UHFFFAOYSA-N 1 0 457.578 2.578 50 0 JFAARO O=CN1CCC[N@@H+]([C@@H]2CCc3c(sc4ncn(CCc5ccccc5F)c(=O)c34)C2)CC1 ZINC000014991066 527140782 /nfs/dbraw/zinc/14/07/82/527140782.db2.gz UHYGZGZACAGOAR-GOSISDBHSA-N 1 0 454.571 2.861 50 0 JFAARO Cn1cc(CCC(=O)N2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000012301173 527181791 /nfs/dbraw/zinc/18/17/91/527181791.db2.gz KQVLMCPQMYUKQR-DEOSSOPVSA-N 1 0 451.615 2.762 50 0 JFAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)cn1 ZINC000014755489 527197778 /nfs/dbraw/zinc/19/77/78/527197778.db2.gz BPQOFEUIPUQCPB-UHFFFAOYSA-N 1 0 458.566 2.857 50 0 JFAARO O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCC[NH+]1CCCCCC1 ZINC000033068595 527350251 /nfs/dbraw/zinc/35/02/51/527350251.db2.gz VWQRUXAPATYUDZ-UHFFFAOYSA-N 1 0 468.985 2.857 50 0 JFAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NCc1ccccc1Cl ZINC000044916571 527415275 /nfs/dbraw/zinc/41/52/75/527415275.db2.gz SRJLFDKWXKYVGH-UHFFFAOYSA-N 1 0 451.958 2.535 50 0 JFAARO Cn1cnc2c(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)nn(-c3ccccc3)c2c1=O ZINC000064998259 527492448 /nfs/dbraw/zinc/49/24/48/527492448.db2.gz HZTPUYGEDGIFCJ-UHFFFAOYSA-N 1 0 474.540 2.900 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111681 527611400 /nfs/dbraw/zinc/61/14/00/527611400.db2.gz OAHARONBBMRIBK-UHFFFAOYSA-N 1 0 465.485 2.807 50 0 JFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)C1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000033256147 527666264 /nfs/dbraw/zinc/66/62/64/527666264.db2.gz LJZDHCKYVYECRE-UHFFFAOYSA-N 1 0 483.705 2.750 50 0 JFAARO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](C)[C@H](C)N2 ZINC000000719484 553771228 /nfs/dbraw/zinc/77/12/28/553771228.db2.gz ZQQNGICKLUGZCB-IRXDYDNUSA-O 1 0 461.546 2.962 50 0 JFAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2F)CC1 ZINC000008918283 554814606 /nfs/dbraw/zinc/81/46/06/554814606.db2.gz OOWPUWVGGBAGPD-DQEYMECFSA-N 1 0 496.627 2.781 50 0 biogenic JFAARO CSCC[C@@H](NC(=O)c1cc(C)cc(C)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996668 554857490 /nfs/dbraw/zinc/85/74/90/554857490.db2.gz PNNHTUWSDYOKAG-HXUWFJFHSA-N 1 0 455.628 2.542 50 0 JFAARO O=C(CCCn1c(=O)c2cccn2c2cccnc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009115013 554901892 /nfs/dbraw/zinc/90/18/92/554901892.db2.gz JQBLIEBFTQAWLU-UHFFFAOYSA-N 1 0 490.583 2.897 50 0 JFAARO COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCC[NH+]5CCCC5)C4)sc3n2)cc1 ZINC000009117470 554907038 /nfs/dbraw/zinc/90/70/38/554907038.db2.gz QOCCWIKAWWUVPI-GOSISDBHSA-N 1 0 454.600 2.895 50 0 JFAARO COc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2C2CC[NH2+]CC2)cc1 ZINC000009227333 555000109 /nfs/dbraw/zinc/00/01/09/555000109.db2.gz XITYNJLWNHHVTI-UHFFFAOYSA-N 1 0 463.538 2.539 50 0 JFAARO Cn1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc2oc1=O ZINC000009266158 555042608 /nfs/dbraw/zinc/04/26/08/555042608.db2.gz LAIDENIXMCWWJZ-UHFFFAOYSA-N 1 0 457.552 2.920 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000009287686 555060901 /nfs/dbraw/zinc/06/09/01/555060901.db2.gz FISSUTOCSDXFIS-LJQANCHMSA-N 1 0 468.627 2.662 50 0 JFAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)CN4C(=O)c5ccccc5C4=O)cc3s2)CC1 ZINC000009316247 555091330 /nfs/dbraw/zinc/09/13/30/555091330.db2.gz OMQZFFJROAELPT-UHFFFAOYSA-N 1 0 450.520 2.640 50 0 JFAARO O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009388085 555149567 /nfs/dbraw/zinc/14/95/67/555149567.db2.gz NWYMAYOQHWORJB-UHFFFAOYSA-N 1 0 478.593 2.847 50 0 JFAARO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009388072 555149582 /nfs/dbraw/zinc/14/95/82/555149582.db2.gz VIUWGQIJIPVZPQ-FQEVSTJZSA-N 1 0 481.549 2.754 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccn2)CC1 ZINC000009469840 555252806 /nfs/dbraw/zinc/25/28/06/555252806.db2.gz LPOYOHKOLJTASP-UHFFFAOYSA-N 1 0 457.600 2.650 50 0 JFAARO CC(C)CN(C(=O)C[N@H+](C)[C@H]1CCCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009514156 555304566 /nfs/dbraw/zinc/30/45/66/555304566.db2.gz LTEKPAWAVGUTQU-FQEVSTJZSA-N 1 0 455.603 2.773 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000009559170 555353301 /nfs/dbraw/zinc/35/33/01/555353301.db2.gz KRLIMPOULZBMDQ-DNQXCXABSA-N 1 0 451.567 2.999 50 0 JFAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000009580132 555385195 /nfs/dbraw/zinc/38/51/95/555385195.db2.gz IXLFCYJAWZAVLD-GOSISDBHSA-N 1 0 455.552 2.696 50 0 JFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000009677515 555401834 /nfs/dbraw/zinc/40/18/34/555401834.db2.gz APCBTBKCQGEIQB-IAGOWNOFSA-N 1 0 479.672 2.576 50 0 JFAARO Cc1cccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C/C=C/c3ccccc3)CC2)c1 ZINC000009714523 555443954 /nfs/dbraw/zinc/44/39/54/555443954.db2.gz BPVAZAMQOHZJIO-KPKJPENVSA-N 1 0 470.577 2.767 50 0 JFAARO CCn1cc(C(=O)NCC[NH+](CC)CC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000009730894 555467046 /nfs/dbraw/zinc/46/70/46/555467046.db2.gz RZPBYZVXKZRRME-UHFFFAOYSA-N 1 0 476.643 2.514 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000009739565 555471123 /nfs/dbraw/zinc/47/11/23/555471123.db2.gz FQVAQJMJEGUWFA-QFIPXVFZSA-N 1 0 460.575 2.759 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)cc1 ZINC000009745821 555477544 /nfs/dbraw/zinc/47/75/44/555477544.db2.gz KBXHADVLHVCSPN-UHFFFAOYSA-N 1 0 458.584 2.591 50 0 JFAARO Cc1nc(CN2CC[NH+](C3CCN(c4ccc(C(=O)N5CCOCC5)cc4)CC3)CC2)cs1 ZINC000019840881 555509020 /nfs/dbraw/zinc/50/90/20/555509020.db2.gz SLOVNAQJDMVIIU-UHFFFAOYSA-N 1 0 469.655 2.711 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013573978 555512452 /nfs/dbraw/zinc/51/24/52/555512452.db2.gz NBHYGULQCYBWMP-UAKAABGRSA-N 1 0 453.926 2.807 50 0 JFAARO COc1ccccc1[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)[NH+]1CCCC1 ZINC000009798780 555515396 /nfs/dbraw/zinc/51/53/96/555515396.db2.gz FFVGOMFLJFFBRH-QHCPKHFHSA-N 1 0 487.622 2.591 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000013592308 555527177 /nfs/dbraw/zinc/52/71/77/555527177.db2.gz QHZCHJSJBAKUBJ-ZKASKSQOSA-N 1 0 457.914 2.662 50 0 JFAARO CCn1cc(C(=O)NCCCCCC(=O)NC[C@H]2CCC[N@@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013625059 555538948 /nfs/dbraw/zinc/53/89/48/555538948.db2.gz QBOYPXAVCAUWNP-GOSISDBHSA-N 1 0 484.597 2.641 50 0 JFAARO COc1cc(C[NH2+]CCN(C)C)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000019922748 555540182 /nfs/dbraw/zinc/54/01/82/555540182.db2.gz BYZHKKTYPREJOX-UHFFFAOYSA-N 1 0 483.350 2.969 50 0 JFAARO Cc1cc(C)cc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1 ZINC000010105076 555618315 /nfs/dbraw/zinc/61/83/15/555618315.db2.gz PNYZZQOYUXQIEP-IBGZPJMESA-N 1 0 450.587 2.787 50 0 JFAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1OC ZINC000013940075 555650241 /nfs/dbraw/zinc/65/02/41/555650241.db2.gz CRDIZPXRJHHYDR-UHFFFAOYSA-N 1 0 481.593 2.989 50 0 JFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(OC)c(C)c2OC)CC3)cc1 ZINC000020118149 555654866 /nfs/dbraw/zinc/65/48/66/555654866.db2.gz SNMKTLLDZBBPRZ-UHFFFAOYSA-N 1 0 479.581 2.643 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC000014043242 555674773 /nfs/dbraw/zinc/67/47/73/555674773.db2.gz MLWSCQLRSJXTRS-LJQANCHMSA-N 1 0 482.606 2.563 50 0 JFAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000014230735 555736902 /nfs/dbraw/zinc/73/69/02/555736902.db2.gz NNXZRWKTUDPGBD-FQEVSTJZSA-N 1 0 458.628 2.905 50 0 JFAARO COc1cccc([C@H](CNC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)[NH+]2CCCC2)c1 ZINC000014242847 555745257 /nfs/dbraw/zinc/74/52/57/555745257.db2.gz YTFWHYMXIJWTHN-REWPJTCUSA-N 1 0 496.633 2.809 50 0 JFAARO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000014246483 555749405 /nfs/dbraw/zinc/74/94/05/555749405.db2.gz DSFMIKYFBLXKCQ-BJKOFHAPSA-N 1 0 487.622 2.810 50 0 JFAARO O=C(NCC[NH+]1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020281642 555752167 /nfs/dbraw/zinc/75/21/67/555752167.db2.gz QFOGNZNPAGIHEO-UHFFFAOYSA-N 1 0 479.672 2.768 50 0 JFAARO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000014329398 555794981 /nfs/dbraw/zinc/79/49/81/555794981.db2.gz FVQJPYLHUZOYOK-HXUWFJFHSA-N 1 0 455.507 2.579 50 0 JFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556949 555808482 /nfs/dbraw/zinc/80/84/82/555808482.db2.gz HNONIQNHQYIOTR-QFIPXVFZSA-N 1 0 473.625 2.944 50 0 JFAARO COC(=O)c1c(OCCC[NH+](C)C)cc(=O)n2c1CCN(C(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC000011782566 555813078 /nfs/dbraw/zinc/81/30/78/555813078.db2.gz PXRNUPOYAHJZMF-UHFFFAOYSA-N 1 0 483.609 2.961 50 0 JFAARO Cc1ncc2c(c1CNC(=O)C[NH+]1CCCC1)CCN(C(=O)CCC(=O)c1ccc(F)cc1)C2 ZINC000011785807 555818622 /nfs/dbraw/zinc/81/86/22/555818622.db2.gz ROTUFHKDSQKJLL-UHFFFAOYSA-N 1 0 466.557 2.789 50 0 JFAARO C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014532319 555820017 /nfs/dbraw/zinc/82/00/17/555820017.db2.gz YZAOANZWYBSOLN-ZPZUNKDASA-N 1 0 496.677 2.851 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566791 555820704 /nfs/dbraw/zinc/82/07/04/555820704.db2.gz RBNLYMOUHXHXMX-YDLHNXBPSA-N 1 0 498.377 2.916 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C/C=C/c1ccc(O)c(OC)c1)CC2 ZINC000014533114 555821286 /nfs/dbraw/zinc/82/12/86/555821286.db2.gz WGRQVPSXNKMQJH-GQCTYLIASA-N 1 0 480.565 2.754 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000014537476 555827006 /nfs/dbraw/zinc/82/70/06/555827006.db2.gz BLARHIOEIAMAKS-UHFFFAOYSA-N 1 0 451.571 2.663 50 0 JFAARO C[NH+](C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(S(=O)(=O)N3CCSCC3)c2)C1 ZINC000014537699 555827322 /nfs/dbraw/zinc/82/73/22/555827322.db2.gz FUFJIMVWDGCNLE-NRFANRHFSA-N 1 0 459.637 2.867 50 0 JFAARO C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575587 555830814 /nfs/dbraw/zinc/83/08/14/555830814.db2.gz JRGFWOMEESECQJ-UHFFFAOYSA-N 1 0 496.656 2.964 50 0 JFAARO c1cc(C[NH2+]CCN2CCCC2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020576334 555831038 /nfs/dbraw/zinc/83/10/38/555831038.db2.gz AMGDZJNOUFPCEC-UHFFFAOYSA-N 1 0 451.644 2.836 50 0 JFAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000014540926 555831046 /nfs/dbraw/zinc/83/10/46/555831046.db2.gz IHSBWHMMTKJTOS-UHFFFAOYSA-N 1 0 481.549 2.897 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014542256 555833050 /nfs/dbraw/zinc/83/30/50/555833050.db2.gz RPJCGSMUYRTPNV-UHFFFAOYSA-N 1 0 452.555 2.665 50 0 JFAARO COc1cccc(-n2c(CNC(=O)c3c(OC)cccc3OC)nnc2SCC[NH+](C)C)c1 ZINC000020586891 555837357 /nfs/dbraw/zinc/83/73/57/555837357.db2.gz FCDIUIKKNDDHBI-UHFFFAOYSA-N 1 0 471.583 2.877 50 0 JFAARO O=C([C@H]1CCC(=O)N1)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000011871974 555847183 /nfs/dbraw/zinc/84/71/83/555847183.db2.gz KKBHQSPUBDORHB-XMMPIXPASA-N 1 0 463.578 2.867 50 0 JFAARO Cc1ccccc1C[C@H](C1CCN(C(=O)C[NH+]2CCCCC2)CC1)N(C)C(=O)Cn1cccn1 ZINC000011881396 555849493 /nfs/dbraw/zinc/84/94/93/555849493.db2.gz PDAJOWVGPWNETI-RUZDIDTESA-N 1 0 465.642 2.986 50 0 JFAARO COC(=O)c1ccc(C[NH+]2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)cc1 ZINC000011913007 555862350 /nfs/dbraw/zinc/86/23/50/555862350.db2.gz MKGVVCYPJIZJKY-WXVAWEFUSA-N 1 0 492.576 2.707 50 0 JFAARO Cc1ccccc1N1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000011913533 555863475 /nfs/dbraw/zinc/86/34/75/555863475.db2.gz DLHZQSCAZNGFGY-NDEPHWFRSA-N 1 0 476.621 2.601 50 0 JFAARO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015045509 555866024 /nfs/dbraw/zinc/86/60/24/555866024.db2.gz ZSSUQNJMATUTJT-FQEVSTJZSA-N 1 0 450.583 2.776 50 0 JFAARO COCCc1ccc(OC[C@@H](O)C[NH+](C[C@H](O)COc2ccc(CCOC)cc2)C(C)C)cc1 ZINC000022063147 555868293 /nfs/dbraw/zinc/86/82/93/555868293.db2.gz FPFJXNCXQDHWGC-DQEYMECFSA-N 1 0 475.626 2.954 50 0 in-vitro JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)cc2)CC1 ZINC000011948514 555870031 /nfs/dbraw/zinc/87/00/31/555870031.db2.gz MITSFEUWOVHVIV-AREMUKBSSA-N 1 0 461.566 2.551 50 0 JFAARO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccccc2)CC1 ZINC000011998424 555880977 /nfs/dbraw/zinc/88/09/77/555880977.db2.gz DTLUIAMHHIFOMP-JOCHJYFZSA-N 1 0 491.635 2.505 50 0 JFAARO COc1ccccc1[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)[NH+]1CCCCC1 ZINC000011998679 555881547 /nfs/dbraw/zinc/88/15/47/555881547.db2.gz JXGVYPSRBALKHB-OAQYLSRUSA-N 1 0 471.579 2.719 50 0 JFAARO CCn1cc(C[NH+]2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(CCOC)C3=O)CC2)c(C)n1 ZINC000012034778 555888271 /nfs/dbraw/zinc/88/82/71/555888271.db2.gz KESJMVWZEWGMJV-SANMLTNESA-N 1 0 483.613 2.612 50 0 JFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@@H+](C3CCCCCC3)C2)nn1 ZINC000012100196 555907812 /nfs/dbraw/zinc/90/78/12/555907812.db2.gz JJJGBWUQPNKKRZ-KNQAVFIVSA-N 1 0 455.559 2.728 50 0 JFAARO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000012128464 555911094 /nfs/dbraw/zinc/91/10/94/555911094.db2.gz IXQBJMDYIJYJDS-NRFANRHFSA-N 1 0 467.570 2.818 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000022284915 555917620 /nfs/dbraw/zinc/91/76/20/555917620.db2.gz HSONEKMGGHHQLY-MZNJEOGPSA-N 1 0 454.575 2.817 50 0 JFAARO O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000012152660 555926698 /nfs/dbraw/zinc/92/66/98/555926698.db2.gz KGRFIQCOWKQBCG-QFIPXVFZSA-N 1 0 464.566 2.572 50 0 JFAARO CCC(CC)C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000012183672 555935694 /nfs/dbraw/zinc/93/56/94/555935694.db2.gz VESSYMSCKQBWCL-XXBNENTESA-N 1 0 466.586 2.957 50 0 JFAARO Cc1nn(C)c(C)c1CN(C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O)C(C)C ZINC000012192080 555939180 /nfs/dbraw/zinc/93/91/80/555939180.db2.gz FRBKCHSVDVACNG-SANMLTNESA-N 1 0 485.604 2.562 50 0 JFAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000015677828 555941898 /nfs/dbraw/zinc/94/18/98/555941898.db2.gz VUQNUZLLUQGMQB-RUZDIDTESA-N 1 0 490.714 2.890 50 0 JFAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015723742 555958788 /nfs/dbraw/zinc/95/87/88/555958788.db2.gz KQUKWCKFBPNCQF-SANMLTNESA-N 1 0 486.661 2.562 50 0 JFAARO Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015728629 555969105 /nfs/dbraw/zinc/96/91/05/555969105.db2.gz OMEMPHQQKFCILY-LJQANCHMSA-N 1 0 473.021 2.607 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000022936464 555989439 /nfs/dbraw/zinc/98/94/39/555989439.db2.gz WNGSAKFLEWVVSW-VWLOTQADSA-N 1 0 479.625 2.862 50 0 JFAARO C[C@@H]1CSc2ccc(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2NC1=O ZINC000022937293 555990121 /nfs/dbraw/zinc/99/01/21/555990121.db2.gz GPBRMLHDIYWJCP-LJQANCHMSA-N 1 0 488.679 2.853 50 0 JFAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc(Br)cc3)nc1=O)CCC2 ZINC000015823737 556012370 /nfs/dbraw/zinc/01/23/70/556012370.db2.gz SSVWRCLKLMFDBI-UHFFFAOYSA-N 1 0 451.390 2.787 50 0 JFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@@H]1CCOC1 ZINC000023130737 556019340 /nfs/dbraw/zinc/01/93/40/556019340.db2.gz NYAFUHWBWHGWHJ-JOCHJYFZSA-N 1 0 461.566 2.568 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000023162481 556026611 /nfs/dbraw/zinc/02/66/11/556026611.db2.gz AOGPYSAEBYTLRI-XMMPIXPASA-N 1 0 464.566 2.684 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[NH+](C)C)cc1OC ZINC000012549019 556027881 /nfs/dbraw/zinc/02/78/81/556027881.db2.gz CQCIMVQDHNMLAP-HXUWFJFHSA-N 1 0 461.584 2.521 50 0 JFAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1Cl ZINC000015862679 556035916 /nfs/dbraw/zinc/03/59/16/556035916.db2.gz BHDNGFJHUSOVRA-UHFFFAOYSA-N 1 0 469.966 2.501 50 0 JFAARO O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023538205 556077151 /nfs/dbraw/zinc/07/71/51/556077151.db2.gz KIQRMLJJXSDQKD-UHFFFAOYSA-N 1 0 459.612 2.660 50 0 JFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000015957771 556089533 /nfs/dbraw/zinc/08/95/33/556089533.db2.gz AVFBUDDCGRBDQG-RGKFVRLKSA-N 1 0 453.926 2.925 50 0 biogenic JFAARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](CCSC)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959218 556091117 /nfs/dbraw/zinc/09/11/17/556091117.db2.gz QLIBMHACSRMFAV-ZUVQJFRASA-N 1 0 463.603 2.965 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959382 556091453 /nfs/dbraw/zinc/09/14/53/556091453.db2.gz WIQJMTBNUZQGRM-NLJXWPIHSA-N 1 0 467.525 2.598 50 0 biogenic JFAARO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959434 556091523 /nfs/dbraw/zinc/09/15/23/556091523.db2.gz HUFTWKFMYFEESC-JLMYGFKKSA-N 1 0 481.552 2.906 50 0 biogenic JFAARO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015999078 556104226 /nfs/dbraw/zinc/10/42/26/556104226.db2.gz ZAXCYTAEYWYOIT-VROSSTTESA-N 1 0 493.585 2.997 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021823 556113962 /nfs/dbraw/zinc/11/39/62/556113962.db2.gz PQDAMNOGOAJFQD-NLJXWPIHSA-N 1 0 485.515 2.737 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021821 556114096 /nfs/dbraw/zinc/11/40/96/556114096.db2.gz PQDAMNOGOAJFQD-IMBSWCNGSA-N 1 0 485.515 2.737 50 0 JFAARO CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021925 556114394 /nfs/dbraw/zinc/11/43/94/556114394.db2.gz ZPBIKPSGTQLFCT-MTXNFPGFSA-N 1 0 453.539 2.542 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(C)C)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000016022248 556114771 /nfs/dbraw/zinc/11/47/71/556114771.db2.gz IOCAYCTUXKSDNB-JYYLQKJRSA-N 1 0 495.551 2.852 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022175 556114784 /nfs/dbraw/zinc/11/47/84/556114784.db2.gz QSTHZYIDJKOOMJ-GVPVYCASSA-N 1 0 498.377 2.916 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000016024851 556115817 /nfs/dbraw/zinc/11/58/17/556115817.db2.gz HPPFOODLIUSOOA-YGWSKSRPSA-N 1 0 497.979 2.976 50 0 JFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016025114 556116056 /nfs/dbraw/zinc/11/60/56/556116056.db2.gz SXZSKKHMFRXSMB-SXTKOZQMSA-N 1 0 453.926 2.807 50 0 JFAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000012918988 556138229 /nfs/dbraw/zinc/13/82/29/556138229.db2.gz LXTXBHSDXAXKNB-UHFFFAOYSA-N 1 0 451.614 2.541 50 0 JFAARO CC(C)[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012995962 556188686 /nfs/dbraw/zinc/18/86/86/556188686.db2.gz MWCMFQMKBHQOBY-VWLOTQADSA-N 1 0 487.622 2.668 50 0 JFAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(I)c3)CC2)[nH+]1 ZINC000017012487 556202352 /nfs/dbraw/zinc/20/23/52/556202352.db2.gz SSLGOJHZMZDITG-UHFFFAOYSA-N 1 0 477.350 2.952 50 0 JFAARO CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000025183014 556203343 /nfs/dbraw/zinc/20/33/43/556203343.db2.gz HVRCDWHLAUUYDD-HXUWFJFHSA-N 1 0 452.942 2.624 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000013069501 556266088 /nfs/dbraw/zinc/26/60/88/556266088.db2.gz VCXGWJMSRYMJJQ-FQEVSTJZSA-N 1 0 463.625 2.644 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000013069499 556266146 /nfs/dbraw/zinc/26/61/46/556266146.db2.gz VCXGWJMSRYMJJQ-HXUWFJFHSA-N 1 0 463.625 2.644 50 0 JFAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1OC ZINC000018190699 556300957 /nfs/dbraw/zinc/30/09/57/556300957.db2.gz NYZPQOYZNIRKCK-INIZCTEOSA-N 1 0 480.302 2.773 50 0 JFAARO CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)n2CC ZINC000018342779 556319887 /nfs/dbraw/zinc/31/98/87/556319887.db2.gz ZPRUFVZBXSZOOP-SFHVURJKSA-N 1 0 462.616 2.798 50 0 JFAARO Cc1cc(O[C@@H](C)C(=O)O[C@H](CN2C(=O)c3ccccc3C2=O)CN2CC[NH+](C)CC2)ccc1Cl ZINC000028293243 556329647 /nfs/dbraw/zinc/32/96/47/556329647.db2.gz MKQQFVMCLBJMNI-ICSRJNTNSA-N 1 0 499.995 2.871 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000013121061 556335485 /nfs/dbraw/zinc/33/54/85/556335485.db2.gz CLKPKOFFCSUBSQ-UHFFFAOYSA-N 1 0 485.650 2.942 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)c(C)c2)CC1 ZINC000028731883 556340557 /nfs/dbraw/zinc/34/05/57/556340557.db2.gz PFNDHPYYSIRSQZ-JOCHJYFZSA-N 1 0 486.638 2.847 50 0 JFAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1ccc3cccnc3c1)CC2 ZINC000019594776 556356310 /nfs/dbraw/zinc/35/63/10/556356310.db2.gz WTKQFBZRJDYCES-UHFFFAOYSA-N 1 0 458.541 2.925 50 0 JFAARO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)no1 ZINC000029999929 556362079 /nfs/dbraw/zinc/36/20/79/556362079.db2.gz XSMYXSITIWYMKE-UYAOXDASSA-N 1 0 459.616 2.538 50 0 JFAARO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 ZINC000019745098 556365885 /nfs/dbraw/zinc/36/58/85/556365885.db2.gz WCACLENLTPCNNI-UHFFFAOYSA-N 1 0 471.602 2.601 50 0 JFAARO COCCCN1C(=O)C[C@](CC(=O)N2CC[NH+](C3CCCC3)CC2)(c2ccccc2Cl)C1=O ZINC000019744623 556365906 /nfs/dbraw/zinc/36/59/06/556365906.db2.gz WQQAIAAMQTXXEI-RUZDIDTESA-N 1 0 476.017 2.850 50 0 JFAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2cc(C)c(OC)cc2C)CC3)o1 ZINC000019746019 556366358 /nfs/dbraw/zinc/36/63/58/556366358.db2.gz ONGBALYJVHPVRA-UHFFFAOYSA-N 1 0 453.543 2.631 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)CC1 ZINC000031701511 556402123 /nfs/dbraw/zinc/40/21/23/556402123.db2.gz GZBXIZRKWGQNIS-UHFFFAOYSA-N 1 0 456.612 2.619 50 0 JFAARO CCCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008583288 562940157 /nfs/dbraw/zinc/94/01/57/562940157.db2.gz MPUOVPIVOHLGLO-UHFFFAOYSA-N 1 0 462.616 2.555 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(C)cc2C)CC1 ZINC000033000551 563110259 /nfs/dbraw/zinc/11/02/59/563110259.db2.gz BDXDFFCCCAWUPY-UHFFFAOYSA-N 1 0 486.638 2.719 50 0 JFAARO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000055269521 569591387 /nfs/dbraw/zinc/59/13/87/569591387.db2.gz MLJSOFNXFMGCFT-MSOLQXFVSA-N 1 0 455.550 2.852 50 0 JFAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1-c1ccc(Br)cc1 ZINC000008708329 569595056 /nfs/dbraw/zinc/59/50/56/569595056.db2.gz XZWQJZFLZZEOLE-UHFFFAOYSA-N 1 0 485.386 2.695 50 0 JFAARO Cc1nc2ccccc2n(CC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1=O ZINC000032974615 569605591 /nfs/dbraw/zinc/60/55/91/569605591.db2.gz KSNKSHZXCNJLTM-UHFFFAOYSA-N 1 0 453.974 2.687 50 0 JFAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000060331344 569608756 /nfs/dbraw/zinc/60/87/56/569608756.db2.gz XQWBFLHWORRQFN-GOSISDBHSA-N 1 0 451.546 2.945 50 0 JFAARO NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CCCC2 ZINC000062588284 569612115 /nfs/dbraw/zinc/61/21/15/569612115.db2.gz LEZWSUBLMRLIQW-IBGZPJMESA-N 1 0 496.681 2.594 50 0 JFAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008873 569615915 /nfs/dbraw/zinc/61/59/15/569615915.db2.gz PASSODHHRKNUNU-UHFFFAOYSA-N 1 0 453.612 2.979 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[C@@H](C)[NH+]4CCCC4)CC3)s2)cc1 ZINC000033024549 569619934 /nfs/dbraw/zinc/61/99/34/569619934.db2.gz NQYQEUKMXQZJTB-GOSISDBHSA-N 1 0 498.653 2.942 50 0 JFAARO CCC[NH+]1CCN(C(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)CC1 ZINC000033024522 569619958 /nfs/dbraw/zinc/61/99/58/569619958.db2.gz SINBQRZIUMSRKT-UHFFFAOYSA-N 1 0 484.626 2.505 50 0 JFAARO O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)s1 ZINC000033024593 569620071 /nfs/dbraw/zinc/62/00/71/569620071.db2.gz HVLSSPZLBNNAIR-UHFFFAOYSA-N 1 0 491.017 2.508 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NCC[NH+]4CCCCC4)CC3)s2)cc1 ZINC000033024840 569620327 /nfs/dbraw/zinc/62/03/27/569620327.db2.gz YBWUTZDJLJEMEM-UHFFFAOYSA-N 1 0 498.653 2.943 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064704461 569624936 /nfs/dbraw/zinc/62/49/36/569624936.db2.gz LZNIOKICIGKHFY-UHFFFAOYSA-N 1 0 498.701 2.858 50 0 JFAARO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776048 569627885 /nfs/dbraw/zinc/62/78/85/569627885.db2.gz QLLSTSGTZOGCEF-IBGZPJMESA-N 1 0 490.583 2.917 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)CC1 ZINC000064859461 569639192 /nfs/dbraw/zinc/63/91/92/569639192.db2.gz FGXOARRTICERPI-UHFFFAOYSA-N 1 0 461.610 2.901 50 0 JFAARO O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000064888908 569642340 /nfs/dbraw/zinc/64/23/40/569642340.db2.gz JQDDSGMFYYYHAZ-UHFFFAOYSA-N 1 0 495.649 2.992 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCC3)c2)c(C)c1 ZINC000065025222 569650582 /nfs/dbraw/zinc/65/05/82/569650582.db2.gz HLOWQHCCKORYGL-UHFFFAOYSA-N 1 0 471.627 2.971 50 0 JFAARO CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025270 569650592 /nfs/dbraw/zinc/65/05/92/569650592.db2.gz VCBZJYBKFIXKAS-UHFFFAOYSA-N 1 0 473.643 2.973 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)c(C)c1 ZINC000065025215 569650633 /nfs/dbraw/zinc/65/06/33/569650633.db2.gz GBPWADULFLSSNR-UHFFFAOYSA-N 1 0 471.627 2.781 50 0 JFAARO CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2OC)cc1 ZINC000065074629 569657316 /nfs/dbraw/zinc/65/73/16/569657316.db2.gz NCYJCNGLYFQZLE-UHFFFAOYSA-N 1 0 470.639 2.963 50 0 biogenic JFAARO COc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1 ZINC000065074654 569657328 /nfs/dbraw/zinc/65/73/28/569657328.db2.gz MGFYQGVSUMMFGG-UHFFFAOYSA-N 1 0 470.639 2.935 50 0 biogenic JFAARO CC[NH+]1CCN(CCNC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)CC1 ZINC000065102571 569664388 /nfs/dbraw/zinc/66/43/88/569664388.db2.gz QZDMDZSZWDCSFJ-UHFFFAOYSA-N 1 0 468.671 2.906 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111679 569664651 /nfs/dbraw/zinc/66/46/51/569664651.db2.gz WCAJXRMIFQKPGG-UHFFFAOYSA-N 1 0 465.485 2.807 50 0 JFAARO O=C(NC[C@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CC[NH2+]CC1 ZINC000035226074 569678596 /nfs/dbraw/zinc/67/85/96/569678596.db2.gz ZQDFYJZSRLUMBM-JOCHJYFZSA-N 1 0 498.649 2.685 50 0 JFAARO COc1ccc(-c2cc3c(N4CCC(C(N)=O)([NH+]5CCCCC5)CC4)nccn3n2)cc1OC ZINC000067285300 569683340 /nfs/dbraw/zinc/68/33/40/569683340.db2.gz VRFQYMCMXWTDNJ-UHFFFAOYSA-N 1 0 464.570 2.724 50 0 JFAARO CCOc1cc([C@@H]2NC(=O)NC(CN3CC[NH+](C4CCCCC4)CC3)=C2C(=O)OC)ccc1O ZINC000067285691 569683425 /nfs/dbraw/zinc/68/34/25/569683425.db2.gz UANXJUHMWZBXGD-QHCPKHFHSA-N 1 0 472.586 2.522 50 0 JFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000035447495 569696150 /nfs/dbraw/zinc/69/61/50/569696150.db2.gz STXSCVVDRZVWEY-SFHVURJKSA-N 1 0 474.646 2.970 50 0 JFAARO CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NCC[NH+]4CCC(C)CC4)n3)cc2)CC1 ZINC000035455059 569697700 /nfs/dbraw/zinc/69/77/00/569697700.db2.gz IGHRHWXTSVGMBV-UHFFFAOYSA-N 1 0 475.615 2.619 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000079193085 569707286 /nfs/dbraw/zinc/70/72/86/569707286.db2.gz CJKOZYLAMNPKQZ-MIZPHKNDSA-N 1 0 486.638 2.913 50 0 biogenic JFAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000089779532 569719830 /nfs/dbraw/zinc/71/98/30/569719830.db2.gz CKYWRGRMOANOGL-QFIPXVFZSA-N 1 0 483.579 2.724 50 0 JFAARO COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@H+](C)C[C@H]43)C2=O)cc1OC ZINC000035877373 569719872 /nfs/dbraw/zinc/71/98/72/569719872.db2.gz OBSBAIOQIIZYQT-BKMJKUGQSA-N 1 0 478.549 2.528 50 0 JFAARO COc1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000096191556 569737161 /nfs/dbraw/zinc/73/71/61/569737161.db2.gz MLYIKHBVCYVNED-GDBMZVCRSA-N 1 0 485.400 2.917 50 0 JFAARO CCN1C2=C(C(=O)N(CCC(=O)NCC[NH+](C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967188 569738730 /nfs/dbraw/zinc/73/87/30/569738730.db2.gz AAJFECXZHZGAOI-RUZDIDTESA-N 1 0 491.592 2.729 50 0 JFAARO CCOC(=O)C1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)nc2N2CC[NH+](CC)CC2)CC1 ZINC000035988912 569743667 /nfs/dbraw/zinc/74/36/67/569743667.db2.gz WACBSDVOPIBPGH-UHFFFAOYSA-N 1 0 481.597 2.709 50 0 JFAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036031252 569751856 /nfs/dbraw/zinc/75/18/56/569751856.db2.gz FMBUNXZBSXSUTN-OAQYLSRUSA-N 1 0 464.990 2.931 50 0 JFAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313412 569760811 /nfs/dbraw/zinc/76/08/11/569760811.db2.gz PKTVOZQHUAKBMD-MOPGFXCFSA-N 1 0 463.550 2.696 50 0 JFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341843 569764940 /nfs/dbraw/zinc/76/49/40/569764940.db2.gz XUZPVLPXXFEKPR-JOCHJYFZSA-N 1 0 450.539 2.739 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)c1cccc(OC)c1 ZINC000036751142 569780495 /nfs/dbraw/zinc/78/04/95/569780495.db2.gz QGJVULGUTQDODL-ATIYNZHBSA-N 1 0 466.582 2.970 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3cc(C)ccc3F)cc21 ZINC000037275140 569782115 /nfs/dbraw/zinc/78/21/15/569782115.db2.gz QKIHBVYLHSBTGP-GOSISDBHSA-N 1 0 485.556 2.968 50 0 JFAARO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000040149732 569819418 /nfs/dbraw/zinc/81/94/18/569819418.db2.gz HQVASQQEFQAGCZ-UHFFFAOYSA-N 1 0 491.679 2.929 50 0 JFAARO O=C(C[NH2+][C@H](CN1CCOCC1)c1ccccc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000049568888 569848805 /nfs/dbraw/zinc/84/88/05/569848805.db2.gz WKRZPIJMBRMODA-PLPWKKLYSA-N 1 0 494.617 2.502 50 0 JFAARO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000049611661 569849761 /nfs/dbraw/zinc/84/97/61/569849761.db2.gz WVSTYMGBILQZFE-LJQANCHMSA-N 1 0 497.664 2.710 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000049626715 569849789 /nfs/dbraw/zinc/84/97/89/569849789.db2.gz GUBFOAKAHJYQIA-RQXXJAGISA-N 1 0 452.308 2.880 50 0 biogenic JFAARO CCOc1ccc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)OC(C)(C)OC2=O)cc1 ZINC000049740995 569850230 /nfs/dbraw/zinc/85/02/30/569850230.db2.gz HJBLCSRMJUOKDC-VQTJNVASSA-N 1 0 480.561 2.731 50 0 biogenic JFAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000106615567 569854445 /nfs/dbraw/zinc/85/44/45/569854445.db2.gz YFOINETTYTXGJA-VGSWGCGISA-N 1 0 489.569 2.540 50 0 JFAARO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)C1=O ZINC000108964760 569860073 /nfs/dbraw/zinc/86/00/73/569860073.db2.gz GWYSRCTZTZGSET-CPJSRVTESA-N 1 0 466.538 2.729 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@@H](O)COC ZINC000169677937 569868975 /nfs/dbraw/zinc/86/89/75/569868975.db2.gz GSAAFICXRBMXLQ-WIYYLYMNSA-N 1 0 480.602 2.738 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H](O)COC ZINC000169681961 569870917 /nfs/dbraw/zinc/87/09/17/569870917.db2.gz SWKOKIGVCWQFIP-DENIHFKCSA-N 1 0 462.612 2.599 50 0 JFAARO COC(=O)C[C@H](c1ccccc1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225414930 569995718 /nfs/dbraw/zinc/99/57/18/569995718.db2.gz AVQVHWUIBNOFEC-SLYNCCJLSA-N 1 0 476.529 2.821 50 0 biogenic JFAARO COC[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000225632706 570011012 /nfs/dbraw/zinc/01/10/12/570011012.db2.gz SUNXMYPVOFGLSP-MRXNPFEDSA-N 1 0 450.001 2.528 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000227054633 570039932 /nfs/dbraw/zinc/03/99/32/570039932.db2.gz KSEXQRJSHRHGMD-LIYOMKHYSA-N 1 0 495.963 2.827 50 0 JFAARO CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O ZINC000229889856 570041763 /nfs/dbraw/zinc/04/17/63/570041763.db2.gz NPPONKHEHCSPER-CUNXSJBXSA-N 1 0 490.560 2.526 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2csc(NC(C)=O)n2)CC1 ZINC000241316990 570053222 /nfs/dbraw/zinc/05/32/22/570053222.db2.gz LWROJEFOLWPCSW-DBVUQKKJSA-N 1 0 461.632 2.818 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000241965736 570053554 /nfs/dbraw/zinc/05/35/54/570053554.db2.gz UVFOIWQBINBUDZ-QIJUGHKUSA-N 1 0 493.670 2.968 50 0 JFAARO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253400509 570096520 /nfs/dbraw/zinc/09/65/20/570096520.db2.gz DYHKAMUZHQSJCV-JEBQKTDQSA-N 1 0 473.614 2.955 50 0 biogenic JFAARO COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000253401154 570096549 /nfs/dbraw/zinc/09/65/49/570096549.db2.gz FKESLNCFQIAMJE-PCCBWWKXSA-N 1 0 486.613 2.627 50 0 biogenic JFAARO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000253414880 570098632 /nfs/dbraw/zinc/09/86/32/570098632.db2.gz YXERZSNJKJRWMY-ACIOBRDBSA-N 1 0 470.614 2.661 50 0 biogenic JFAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253427483 570098807 /nfs/dbraw/zinc/09/88/07/570098807.db2.gz MRAAYLXZVAVKDD-NRFANRHFSA-N 1 0 484.062 2.890 50 0 JFAARO CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761946 570174703 /nfs/dbraw/zinc/17/47/03/570174703.db2.gz CEOAZTLXFCEMBS-VSGBNLITSA-N 1 0 474.605 2.921 50 0 JFAARO COc1cccc([C@@]2(CC(=O)N3CCCC[C@@H]3c3nccs3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000299779641 570176254 /nfs/dbraw/zinc/17/62/54/570176254.db2.gz QEJZJCYQDZOPRJ-CJFMBICVSA-N 1 0 484.622 2.854 50 0 JFAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCCC[C@H]([NH3+])C(=O)[O-])c(=O)cc21 ZINC000002944415 194175760 /nfs/dbraw/zinc/17/57/60/194175760.db2.gz NLMIJLDWRRXDGR-OALUTQOASA-N 1 0 485.581 2.940 50 0 biogenic JFAARO C[NH+](C)CCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670443 194358243 /nfs/dbraw/zinc/35/82/43/194358243.db2.gz SADQVEJMTUZHLK-LJQANCHMSA-N 1 0 467.751 2.978 50 0 JFAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2c1=O ZINC000004766583 194397553 /nfs/dbraw/zinc/39/75/53/194397553.db2.gz SJJIYVHQAFQICF-UHFFFAOYSA-N 1 0 495.599 2.961 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3C)CC2)c1 ZINC000009714194 194910210 /nfs/dbraw/zinc/91/02/10/194910210.db2.gz FXMOKVULPFWXAC-UHFFFAOYSA-N 1 0 472.593 2.719 50 0 JFAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009782477 194961528 /nfs/dbraw/zinc/96/15/28/194961528.db2.gz GCOOSIJMEHDPKB-UHFFFAOYSA-N 1 0 453.374 2.543 50 0 biogenic JFAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000009782514 194961535 /nfs/dbraw/zinc/96/15/35/194961535.db2.gz OJYHCZMWIPZBAK-UHFFFAOYSA-N 1 0 453.374 2.543 50 0 biogenic JFAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000009874773 195007832 /nfs/dbraw/zinc/00/78/32/195007832.db2.gz DFQWUCAGSSPZLZ-UHFFFAOYSA-N 1 0 462.591 2.884 50 0 JFAARO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000009951264 195033632 /nfs/dbraw/zinc/03/36/32/195033632.db2.gz IWHPFUMAVZWFSP-UHFFFAOYSA-N 1 0 479.610 2.857 50 0 JFAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)Cn2ncc3ccsc3c2=O)CC1 ZINC000009963391 195040047 /nfs/dbraw/zinc/04/00/47/195040047.db2.gz MHLVVYZEMAGINA-UHFFFAOYSA-N 1 0 460.003 2.748 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012698300 195090819 /nfs/dbraw/zinc/09/08/19/195090819.db2.gz DMFKOPCULZGKIW-UHFFFAOYSA-N 1 0 463.644 2.935 50 0 JFAARO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766455 195113967 /nfs/dbraw/zinc/11/39/67/195113967.db2.gz XTNMAIILLVNNRE-HXUWFJFHSA-N 1 0 474.403 2.989 50 0 JFAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3c2)C1 ZINC000020683429 195204275 /nfs/dbraw/zinc/20/42/75/195204275.db2.gz GTRMVOAXQQGYPG-MOPGFXCFSA-N 1 0 488.654 2.943 50 0 JFAARO CCOc1ccc(-n2nc(C(=O)NCCCN3CC[NH+](CC)CC3)c3ccccc3c2=O)cc1 ZINC000020804889 195228358 /nfs/dbraw/zinc/22/83/58/195228358.db2.gz DORIYWSIZUNTEG-UHFFFAOYSA-N 1 0 463.582 2.542 50 0 JFAARO COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000020919989 195247342 /nfs/dbraw/zinc/24/73/42/195247342.db2.gz KCOKVNGEJPUZFF-UHFFFAOYSA-N 1 0 483.034 2.649 50 0 JFAARO CC[C@H](C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943753 195256395 /nfs/dbraw/zinc/25/63/95/195256395.db2.gz CLPBKMVIWAGBFX-JOCHJYFZSA-N 1 0 466.630 2.652 50 0 JFAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000021052421 195272782 /nfs/dbraw/zinc/27/27/82/195272782.db2.gz RXTVEGZIDQFZBB-OAQYLSRUSA-N 1 0 470.705 2.508 50 0 JFAARO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1)Cc1ccccc1 ZINC000021148475 195281924 /nfs/dbraw/zinc/28/19/24/195281924.db2.gz HLVKOYQTIZWEAM-FQEVSTJZSA-N 1 0 468.627 2.704 50 0 JFAARO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)CC3)sc2n1 ZINC000021166096 195288759 /nfs/dbraw/zinc/28/87/59/195288759.db2.gz OYGVRBSPTZIXDQ-UHFFFAOYSA-N 1 0 494.665 2.885 50 0 JFAARO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCC[NH+]4CCCCCC4)CC3)sc2n1 ZINC000021166053 195288794 /nfs/dbraw/zinc/28/87/94/195288794.db2.gz UJMUCPQLWVVFIG-UHFFFAOYSA-N 1 0 460.648 2.702 50 0 JFAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000021795267 195321994 /nfs/dbraw/zinc/32/19/94/195321994.db2.gz UKWMKWNDYYOCFN-UHFFFAOYSA-N 1 0 450.465 2.995 50 0 JFAARO 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ZINC000048309307 525393735 /nfs/dbraw/zinc/39/37/35/525393735.db2.gz LSWMCUMLFXINQV-UHFFFAOYSA-N 1 0 472.449 2.760 50 0 JFAARO Cc1c(C(=O)N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)sc2nc[nH]c(=O)c12 ZINC000033073494 525567700 /nfs/dbraw/zinc/56/77/00/525567700.db2.gz YMYYIXUQDZTGDY-UHFFFAOYSA-N 1 0 493.633 2.926 50 0 JFAARO COc1cccc(C[C@]2(C3CC[NH+](Cc4cc5ccccc5[nH]c4=O)CC3)NC(=O)N(C)C2=O)c1 ZINC000014878660 526080394 /nfs/dbraw/zinc/08/03/94/526080394.db2.gz CCDPGDYRDPVFTQ-HHHXNRCGSA-N 1 0 474.561 2.912 50 0 JFAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc3ccccc3)ccc12 ZINC000005618676 526148333 /nfs/dbraw/zinc/14/83/33/526148333.db2.gz AHRSQSTVNGDOMZ-IBGZPJMESA-N 1 0 465.510 2.598 50 0 JFAARO O=C(C1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000033262076 526305008 /nfs/dbraw/zinc/30/50/08/526305008.db2.gz MUJCZEMPBPKNLH-UHFFFAOYSA-N 1 0 475.615 2.547 50 0 JFAARO O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]CCCOc3cccnc3)CC2)cc1 ZINC000012454752 527021059 /nfs/dbraw/zinc/02/10/59/527021059.db2.gz DEFVCAFBSMYRKZ-DEOSSOPVSA-N 1 0 465.598 2.508 50 0 JFAARO O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000004790143 527213915 /nfs/dbraw/zinc/21/39/15/527213915.db2.gz IGLUHVTWGUNZDA-UHFFFAOYSA-N 1 0 452.580 2.760 50 0 JFAARO O=C(Nc1cccc(Cl)c1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000033263370 527343493 /nfs/dbraw/zinc/34/34/93/527343493.db2.gz JWMVZSGJFITCAP-OAHLLOKOSA-N 1 0 491.017 2.508 50 0 JFAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)Nc1ccc(F)c(Cl)c1 ZINC000044890620 527415725 /nfs/dbraw/zinc/41/57/25/527415725.db2.gz CYLHZOFTHKDAEW-UHFFFAOYSA-N 1 0 455.921 2.997 50 0 JFAARO Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCC[NH+]1CCOCC1 ZINC000020358302 527427723 /nfs/dbraw/zinc/42/77/23/527427723.db2.gz HLELAZYVDOWEMG-UHFFFAOYSA-N 1 0 462.529 2.958 50 0 JFAARO Cn1cnc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nn(-c3ccc(Cl)cc3)c2c1=O ZINC000064991880 527491713 /nfs/dbraw/zinc/49/17/13/527491713.db2.gz ZFOZPSACUUXXQX-UHFFFAOYSA-N 1 0 454.962 2.863 50 0 JFAARO Cn1cnc2c(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)nn(-c3ccccc3)c2c1=O ZINC000064998257 527492016 /nfs/dbraw/zinc/49/20/16/527492016.db2.gz FUHIYCWGKOREIE-UHFFFAOYSA-N 1 0 474.540 2.900 50 0 JFAARO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000022464061 527658846 /nfs/dbraw/zinc/65/88/46/527658846.db2.gz PRMGJMRCMDRFSL-HXUWFJFHSA-N 1 0 465.583 2.508 50 0 JFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033060287 527667038 /nfs/dbraw/zinc/66/70/38/527667038.db2.gz FEFXNPKBLRRWLJ-UHFFFAOYSA-N 1 0 474.606 3.000 50 0 JFAARO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](C)[C@@H](C)N2 ZINC000000719485 553771244 /nfs/dbraw/zinc/77/12/44/553771244.db2.gz ZQQNGICKLUGZCB-SJORKVTESA-O 1 0 461.546 2.962 50 0 JFAARO CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCC[NH+]1CCCC1)cn2C ZINC000006578124 554554045 /nfs/dbraw/zinc/55/40/45/554554045.db2.gz XJFRFLJHRGLXCH-UHFFFAOYSA-N 1 0 488.654 2.707 50 0 JFAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCCN3c1ccc(Br)cc1 ZINC000008778509 554675310 /nfs/dbraw/zinc/67/53/10/554675310.db2.gz GSCIKYGCUBBIPA-UHFFFAOYSA-N 1 0 487.402 2.687 50 0 JFAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000008825970 554715004 /nfs/dbraw/zinc/71/50/04/554715004.db2.gz XRKLELFATXPWPE-MRXNPFEDSA-N 1 0 470.957 2.855 50 0 JFAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008855798 554751718 /nfs/dbraw/zinc/75/17/18/554751718.db2.gz XRDIGZHKZKLUSD-UHFFFAOYSA-N 1 0 475.586 2.763 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000008994445 554854388 /nfs/dbraw/zinc/85/43/88/554854388.db2.gz VLLZQAAEDQPPCC-NLJLEJFHSA-N 1 0 451.523 2.625 50 0 biogenic JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000008994444 554854396 /nfs/dbraw/zinc/85/43/96/554854396.db2.gz VLLZQAAEDQPPCC-YSHIBNCASA-N 1 0 451.523 2.625 50 0 JFAARO CSCC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996830 554857985 /nfs/dbraw/zinc/85/79/85/554857985.db2.gz BFGDSDZGLZGUPX-LJQANCHMSA-N 1 0 476.046 2.507 50 0 JFAARO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12)c1cccc(F)c1 ZINC000009130708 554930673 /nfs/dbraw/zinc/93/06/73/554930673.db2.gz TUPSKVATTVWLSH-QFIPXVFZSA-N 1 0 461.541 2.554 50 0 JFAARO Cn1c2nc(NC[C@H]3CCC[C@@H](C[NH3+])C3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009192722 554966165 /nfs/dbraw/zinc/96/61/65/554966165.db2.gz XPTRYQLYDHVHAQ-KGLIPLIRSA-N 1 0 479.412 2.966 50 0 JFAARO O=C(CCC(=O)N1CCOc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009251945 555026330 /nfs/dbraw/zinc/02/63/30/555026330.db2.gz WHYJFYUTKVMSMU-UHFFFAOYSA-N 1 0 454.546 2.660 50 0 JFAARO CC[N@H+](CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1)Cc1ccccc1 ZINC000009287548 555060972 /nfs/dbraw/zinc/06/09/72/555060972.db2.gz KOGJOZZZAXCBTI-UHFFFAOYSA-N 1 0 470.643 2.910 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 ZINC000009559172 555353345 /nfs/dbraw/zinc/35/33/45/555353345.db2.gz KRLIMPOULZBMDQ-RPWUZVMVSA-N 1 0 451.567 2.999 50 0 JFAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000009714456 555443583 /nfs/dbraw/zinc/44/35/83/555443583.db2.gz GWAAOBZSXPIFMR-UHFFFAOYSA-N 1 0 465.385 2.701 50 0 JFAARO Cc1ccc(C)c(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)c1 ZINC000009714509 555443905 /nfs/dbraw/zinc/44/39/05/555443905.db2.gz LHUKCNOJVIXCRU-UHFFFAOYSA-N 1 0 486.620 2.995 50 0 JFAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000009741569 555472913 /nfs/dbraw/zinc/47/29/13/555472913.db2.gz RTVMOSNEKFWNPI-DEOSSOPVSA-N 1 0 490.670 2.520 50 0 JFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc1=O)CCC2 ZINC000009745510 555477042 /nfs/dbraw/zinc/47/70/42/555477042.db2.gz COJZTHWRCOVBCK-UHFFFAOYSA-N 1 0 458.584 2.576 50 0 JFAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCC2)cc1 ZINC000009764918 555490574 /nfs/dbraw/zinc/49/05/74/555490574.db2.gz HTITUAWFEZBBDY-HSZRJFAPSA-N 1 0 487.622 2.591 50 0 JFAARO O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCCC[NH+]1CCCCCC1 ZINC000009775597 555492771 /nfs/dbraw/zinc/49/27/71/555492771.db2.gz PBMZPKQDZCBYDX-UHFFFAOYSA-N 1 0 487.670 2.616 50 0 JFAARO O=C(c1ccc(N2CCC([NH+]3CCN(Cc4cccnc4)CC3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000019839820 555508266 /nfs/dbraw/zinc/50/82/66/555508266.db2.gz NHPWSFMMSRQIRK-XMMPIXPASA-N 1 0 477.653 2.713 50 0 JFAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000013601692 555530001 /nfs/dbraw/zinc/53/00/01/555530001.db2.gz DXAJCCQWIIKAGY-QGZVFWFLSA-N 1 0 450.276 2.764 50 0 JFAARO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000019922690 555539772 /nfs/dbraw/zinc/53/97/72/555539772.db2.gz YGFLKRXYWYMQCY-UHFFFAOYSA-N 1 0 495.601 2.643 50 0 JFAARO COc1cc(CNCC[NH+](C)C)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000019922784 555540117 /nfs/dbraw/zinc/54/01/17/555540117.db2.gz CQOONFJQALFBMN-UHFFFAOYSA-N 1 0 450.377 2.804 50 0 JFAARO O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000009857757 555558915 /nfs/dbraw/zinc/55/89/15/555558915.db2.gz OPNVKIWPYCFQRF-UHFFFAOYSA-N 1 0 496.615 2.711 50 0 JFAARO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)c1 ZINC000014067945 555676834 /nfs/dbraw/zinc/67/68/34/555676834.db2.gz UUJRGPFICKFJPI-QFIPXVFZSA-N 1 0 473.595 2.836 50 0 JFAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]C(CO)(CO)CO ZINC000010384350 555702815 /nfs/dbraw/zinc/70/28/15/555702815.db2.gz RRABSVSVBDUTFJ-HSZRJFAPSA-N 1 0 460.574 2.950 50 0 JFAARO CC(C)[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000014183603 555725059 /nfs/dbraw/zinc/72/50/59/555725059.db2.gz XGVCDKGVRMBFEA-RCZVLFRGSA-N 1 0 466.538 2.633 50 0 JFAARO COc1cccc([C@@H](CNC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)[NH+]2CCCC2)c1 ZINC000014242846 555744829 /nfs/dbraw/zinc/74/48/29/555744829.db2.gz YTFWHYMXIJWTHN-NZQKXSOJSA-N 1 0 496.633 2.809 50 0 JFAARO COc1cccc([C@H](CNC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)[NH+]2CCCC2)c1 ZINC000014242845 555744893 /nfs/dbraw/zinc/74/48/93/555744893.db2.gz YTFWHYMXIJWTHN-OFNKIYASSA-N 1 0 496.633 2.809 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288191 555756805 /nfs/dbraw/zinc/75/68/05/555756805.db2.gz RTOVEKFWQRIVHN-NZQKXSOJSA-N 1 0 471.671 2.574 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCOCC4)nn32)o1 ZINC000020530557 555797815 /nfs/dbraw/zinc/79/78/15/555797815.db2.gz TZFJEJJUXRADLY-LJQANCHMSA-N 1 0 481.601 2.567 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)CC1 ZINC000020532517 555802724 /nfs/dbraw/zinc/80/27/24/555802724.db2.gz UYFACVKJRIIAKR-UHFFFAOYSA-N 1 0 457.962 2.631 50 0 JFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@H](C)CCn1cccn1)CC2 ZINC000014532665 555820635 /nfs/dbraw/zinc/82/06/35/555820635.db2.gz BEGAMYMJKRCHCJ-HXUWFJFHSA-N 1 0 469.586 2.616 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1c(OC)cccc1OC)CC2 ZINC000014533272 555821279 /nfs/dbraw/zinc/82/12/79/555821279.db2.gz KHQDNYLRWGIMNQ-UHFFFAOYSA-N 1 0 468.554 2.544 50 0 JFAARO Cc1csc(-c2cc(C(=O)NCC[C@@H]3CCC[N@H+]3C)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014536770 555826133 /nfs/dbraw/zinc/82/61/33/555826133.db2.gz NNOSYRIGBFVIPA-FQEVSTJZSA-N 1 0 477.652 2.959 50 0 JFAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+][C@H](C)c4cn(C)nc4C)CC3)cc2)CC1 ZINC000011790513 555826234 /nfs/dbraw/zinc/82/62/34/555826234.db2.gz NUFGZPWQEUULJP-LJQANCHMSA-N 1 0 482.629 2.962 50 0 JFAARO CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3CCOC)c(C)n1 ZINC000014539152 555828932 /nfs/dbraw/zinc/82/89/32/555828932.db2.gz CNWXFMMQLQFODE-UHFFFAOYSA-N 1 0 453.587 2.699 50 0 JFAARO CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)CC2 ZINC000011814733 555829927 /nfs/dbraw/zinc/82/99/27/555829927.db2.gz AYZCEWQAIULGEQ-XTXLJPNXSA-N 1 0 473.021 2.795 50 0 JFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000014541595 555832091 /nfs/dbraw/zinc/83/20/91/555832091.db2.gz SEUPTCIBZOGSEM-UHFFFAOYSA-N 1 0 452.555 2.926 50 0 JFAARO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3ccoc3C)n2CC1 ZINC000011838986 555832193 /nfs/dbraw/zinc/83/21/93/555832193.db2.gz NVCIPJRBWMAVPO-OAHLLOKOSA-N 1 0 469.542 2.755 50 0 JFAARO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(C2CC[NH+](C(C)C)CC2)C3)c1 ZINC000014541596 555832281 /nfs/dbraw/zinc/83/22/81/555832281.db2.gz RFGGGCDPSNEAOV-HSZRJFAPSA-N 1 0 495.668 2.768 50 0 JFAARO Cc1ccccc1C[C@@H](C1CCN(C(=O)C[NH+]2CCCCC2)CC1)N(C)C(=O)Cn1cccn1 ZINC000011881395 555849616 /nfs/dbraw/zinc/84/96/16/555849616.db2.gz PDAJOWVGPWNETI-VWLOTQADSA-N 1 0 465.642 2.986 50 0 JFAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011903883 555851918 /nfs/dbraw/zinc/85/19/18/555851918.db2.gz DCQSLSLFLHEAHN-YKSBVNFPSA-N 1 0 482.606 2.951 50 0 JFAARO O=C1NC(=O)C(c2cn(CCCN3CC[NH2+]CC3)c3ccccc23)=C1c1c[nH]c2ccccc12 ZINC000022028948 555864579 /nfs/dbraw/zinc/86/45/79/555864579.db2.gz VKLVUAHQOFDKLR-UHFFFAOYSA-N 1 0 453.546 2.985 50 0 JFAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)CC3CCCC3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000015068852 555868740 /nfs/dbraw/zinc/86/87/40/555868740.db2.gz JTJYSGBKKYFQRZ-QHCPKHFHSA-N 1 0 456.631 2.500 50 0 JFAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)CC3CCCC3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000015068854 555868815 /nfs/dbraw/zinc/86/88/15/555868815.db2.gz JTJYSGBKKYFQRZ-HSZRJFAPSA-N 1 0 456.631 2.500 50 0 JFAARO COc1ccccc1-n1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cn1 ZINC000011964684 555871260 /nfs/dbraw/zinc/87/12/60/555871260.db2.gz SUEZVGYACMELFW-NFBKMPQASA-N 1 0 454.571 2.690 50 0 JFAARO Cc1nn(C)c(C)c1CN(C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O)C(C)C ZINC000012001542 555882417 /nfs/dbraw/zinc/88/24/17/555882417.db2.gz MNGRNRYNBOYASM-SANMLTNESA-N 1 0 485.604 2.562 50 0 JFAARO CCn1cc(C[NH+]2CCC([C@@]3(Cc4cccc(OC)c4)NC(=O)N(CCOC)C3=O)CC2)c(C)n1 ZINC000012034776 555888180 /nfs/dbraw/zinc/88/81/80/555888180.db2.gz KESJMVWZEWGMJV-AREMUKBSSA-N 1 0 483.613 2.612 50 0 JFAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5N(C)C4=O)[C@H]3C2=O)cc1 ZINC000015305415 555894690 /nfs/dbraw/zinc/89/46/90/555894690.db2.gz NSMSESWCYLWENI-BLJFENDVSA-N 1 0 460.534 2.640 50 0 JFAARO CC(C)Cc1ccc(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)C[NH+](C)C)n3CC2)cc1 ZINC000012098498 555905368 /nfs/dbraw/zinc/90/53/68/555905368.db2.gz HWKUDELMGMXAPZ-QFIPXVFZSA-N 1 0 468.646 2.940 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000015564712 555915763 /nfs/dbraw/zinc/91/57/63/555915763.db2.gz SCHZVROPQPPUBO-UHFFFAOYSA-N 1 0 478.014 2.755 50 0 JFAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)CN3C(=O)c4ccccc4C3=O)nc21 ZINC000012140978 555920446 /nfs/dbraw/zinc/92/04/46/555920446.db2.gz JRJTWDHEKXERGV-UHFFFAOYSA-N 1 0 452.536 2.886 50 0 JFAARO COc1cc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000015671196 555927768 /nfs/dbraw/zinc/92/77/68/555927768.db2.gz UPTHKOAQQWXZOQ-UHFFFAOYSA-N 1 0 455.559 2.764 50 0 JFAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022869575 555962903 /nfs/dbraw/zinc/96/29/03/555962903.db2.gz OSFUKEIVCIPOJC-JUJFZMSZSA-N 1 0 468.594 2.818 50 0 biogenic JFAARO COc1ccc(-c2noc(CN3CCC(C(=O)NCC[NH+]4CCC(C)CC4)CC3)n2)cc1OC ZINC000015726484 555965197 /nfs/dbraw/zinc/96/51/97/555965197.db2.gz UUTQOLSYYWSFPS-UHFFFAOYSA-N 1 0 471.602 2.814 50 0 JFAARO Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015728630 555969178 /nfs/dbraw/zinc/96/91/78/555969178.db2.gz OMEMPHQQKFCILY-IBGZPJMESA-N 1 0 473.021 2.607 50 0 JFAARO CC1=C(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731404 555974778 /nfs/dbraw/zinc/97/47/78/555974778.db2.gz RTOSZQZKNHFWLX-KRWDZBQOSA-N 1 0 495.667 2.525 50 0 biogenic JFAARO O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015766873 555985907 /nfs/dbraw/zinc/98/59/07/555985907.db2.gz YZJGNNIHQXSULI-UHFFFAOYSA-N 1 0 494.061 2.740 50 0 JFAARO CN1CC[NH+](CC2(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CCCCC2)CC1 ZINC000022935492 555988175 /nfs/dbraw/zinc/98/81/75/555988175.db2.gz PVKGLWYZGWJXBM-UHFFFAOYSA-N 1 0 497.105 2.807 50 0 JFAARO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)c(NC(=O)C3=C(C)OCCS3)cc2OC)CC1 ZINC000022938959 555992186 /nfs/dbraw/zinc/99/21/86/555992186.db2.gz OBDXWRVPZZMKKC-UHFFFAOYSA-N 1 0 483.034 2.649 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786780 556006419 /nfs/dbraw/zinc/00/64/19/556006419.db2.gz KLJHNQQWJOXRKS-UHFFFAOYSA-N 1 0 472.542 2.825 50 0 JFAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+]CCN4CCCCC4)CC3)cc2)CC1 ZINC000023158507 556026239 /nfs/dbraw/zinc/02/62/39/556026239.db2.gz TUBMOBVFZHXRSC-UHFFFAOYSA-N 1 0 471.646 2.645 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181150 556027666 /nfs/dbraw/zinc/02/76/66/556027666.db2.gz PFJUEFXXEAORDF-QPPBQGQZSA-N 1 0 485.698 2.570 50 0 JFAARO CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C/NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000023243082 556033374 /nfs/dbraw/zinc/03/33/74/556033374.db2.gz GMTXMVVUDOSGQN-NKFKGCMQSA-N 1 0 463.534 2.703 50 0 JFAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000015862678 556035758 /nfs/dbraw/zinc/03/57/58/556035758.db2.gz NQAONHBIRKRJTF-UHFFFAOYSA-N 1 0 469.966 2.501 50 0 JFAARO CC(C)c1ccc(C[NH+]2CCN(Cn3nc([C@@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 ZINC000023256985 556035885 /nfs/dbraw/zinc/03/58/85/556035885.db2.gz LGDDNEDRUNOTRN-HXUWFJFHSA-N 1 0 463.673 2.752 50 0 JFAARO Cc1c(N2CCC(C(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000015863303 556037659 /nfs/dbraw/zinc/03/76/59/556037659.db2.gz NDHMBJVJKAMDSO-UHFFFAOYSA-N 1 0 493.652 2.538 50 0 JFAARO O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015864639 556040568 /nfs/dbraw/zinc/04/05/68/556040568.db2.gz KZAQHUYRWPKPBC-UHFFFAOYSA-N 1 0 470.643 2.597 50 0 JFAARO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC1(N3CCOCC3)CCCCCC1)C2 ZINC000023353640 556048521 /nfs/dbraw/zinc/04/85/21/556048521.db2.gz KWGZFUGLALINHX-JOCHJYFZSA-N 1 0 487.689 2.638 50 0 JFAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012585959 556083384 /nfs/dbraw/zinc/08/33/84/556083384.db2.gz REJYTEOEEZEJMX-HSZRJFAPSA-N 1 0 457.596 2.583 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959339 556091003 /nfs/dbraw/zinc/09/10/03/556091003.db2.gz PVBCCAXXJJYJBQ-IMBSWCNGSA-N 1 0 451.526 2.892 50 0 biogenic JFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959380 556091135 /nfs/dbraw/zinc/09/11/35/556091135.db2.gz WIQJMTBNUZQGRM-IMBSWCNGSA-N 1 0 467.525 2.598 50 0 biogenic JFAARO Cn1c(=O)c(C(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(N)n(Cc2ccccc2)c1=O ZINC000012738672 556106927 /nfs/dbraw/zinc/10/69/27/556106927.db2.gz AGBPFAPRQOGRDV-UHFFFAOYSA-N 1 0 490.560 2.534 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016012959 556111675 /nfs/dbraw/zinc/11/16/75/556111675.db2.gz TZVJECOHDLDMLO-GIRPNKPCSA-N 1 0 471.488 2.695 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016013225 556112497 /nfs/dbraw/zinc/11/24/97/556112497.db2.gz JLCKGBJATVXWHP-CQAGSAPUSA-N 1 0 463.509 2.827 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2c3ccc(C)c2C)cc1 ZINC000016026972 556116412 /nfs/dbraw/zinc/11/64/12/556116412.db2.gz JKOSDNYQCOIACX-FRHHFWFFSA-N 1 0 451.523 2.625 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012907338 556126334 /nfs/dbraw/zinc/12/63/34/556126334.db2.gz XBKDCABGCAJCNQ-HSZRJFAPSA-N 1 0 457.596 2.629 50 0 JFAARO COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)[NH+]1CCCC1 ZINC000024550350 556135855 /nfs/dbraw/zinc/13/58/55/556135855.db2.gz ZHSIKAQPGCWJJE-FXAWDEMLSA-N 1 0 451.523 2.730 50 0 JFAARO CCc1c(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cnn1-c1ccc(OC)nn1 ZINC000024550377 556135906 /nfs/dbraw/zinc/13/59/06/556135906.db2.gz YXSQLHDXXGSHSC-HXUWFJFHSA-N 1 0 450.543 2.809 50 0 JFAARO CCCCOc1ccc(C(=O)N2CCN(c3ccc(N4CC[NH+](CC)CC4)nn3)CC2)cc1 ZINC000016689905 556153025 /nfs/dbraw/zinc/15/30/25/556153025.db2.gz GPBPUMPPSNXSOX-UHFFFAOYSA-N 1 0 452.603 2.760 50 0 JFAARO CCCCN(C(=O)C[N@H+](C)CC1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024984711 556169364 /nfs/dbraw/zinc/16/93/64/556169364.db2.gz QHHPUGBXJKJVIP-UHFFFAOYSA-N 1 0 455.603 2.812 50 0 JFAARO CC(C)(CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCOCC1 ZINC000025540690 556219673 /nfs/dbraw/zinc/21/96/73/556219673.db2.gz BOFUNQWJGOCPQZ-UHFFFAOYSA-N 1 0 483.993 2.798 50 0 JFAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 ZINC000017276157 556250251 /nfs/dbraw/zinc/25/02/51/556250251.db2.gz OZWMQXYSTZKSGE-SFHVURJKSA-N 1 0 456.612 2.692 50 0 JFAARO O=C(CCNC(=O)c1ccc(Br)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000017793744 556266880 /nfs/dbraw/zinc/26/68/80/556266880.db2.gz XMFHLWNITUZTMZ-UHFFFAOYSA-N 1 0 452.393 2.720 50 0 JFAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000018077711 556284435 /nfs/dbraw/zinc/28/44/35/556284435.db2.gz MSXBMLBAEGWVNG-NHCUHLMSSA-N 1 0 470.957 2.877 50 0 JFAARO CC(C)CCN(C(=O)C[NH2+][C@H](C)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013095356 556287428 /nfs/dbraw/zinc/28/74/28/556287428.db2.gz DFRFVBXTAVGENC-LJQANCHMSA-N 1 0 463.582 2.897 50 0 JFAARO CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)n2CC ZINC000018342776 556319936 /nfs/dbraw/zinc/31/99/36/556319936.db2.gz ZPRUFVZBXSZOOP-GOSISDBHSA-N 1 0 462.616 2.798 50 0 JFAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000013115578 556322693 /nfs/dbraw/zinc/32/26/93/556322693.db2.gz ZMPKBVRJMGQVAN-DBXWQHBBSA-N 1 0 461.584 2.644 50 0 JFAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369818 556346589 /nfs/dbraw/zinc/34/65/89/556346589.db2.gz OSFUKEIVCIPOJC-UFYUJEOSSA-N 1 0 468.594 2.818 50 0 JFAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000019790674 556370343 /nfs/dbraw/zinc/37/03/43/556370343.db2.gz FBJZOQATFYWVHZ-QHCPKHFHSA-N 1 0 473.573 2.631 50 0 JFAARO NS(=O)(=O)c1cccc(C[NH+](CCCc2ccccc2)Cc2cccc(S(N)(=O)=O)c2)c1 ZINC000032824009 556504783 /nfs/dbraw/zinc/50/47/83/556504783.db2.gz ISQMVUMOQPUYKT-UHFFFAOYSA-N 1 0 473.620 2.616 50 0 JFAARO Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032842935 556508990 /nfs/dbraw/zinc/50/89/90/556508990.db2.gz GUVGZMADCPSOHR-UHFFFAOYSA-N 1 0 465.019 2.857 50 0 JFAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032916681 556540931 /nfs/dbraw/zinc/54/09/31/556540931.db2.gz RXITYGCQYYOARF-OAQYLSRUSA-N 1 0 470.639 2.802 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnsc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008694642 569593347 /nfs/dbraw/zinc/59/33/47/569593347.db2.gz WRARNDBYMOVBLR-UXHICEINSA-N 1 0 490.633 2.718 50 0 JFAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1-c1cccc(Cl)c1C ZINC000008706563 569594331 /nfs/dbraw/zinc/59/43/31/569594331.db2.gz QQSFHPUEUJQQAL-UHFFFAOYSA-N 1 0 454.962 2.895 50 0 JFAARO COc1ccc([C@@H](CNC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)[NH+]2CCCC2)cc1 ZINC000057273963 569595563 /nfs/dbraw/zinc/59/55/63/569595563.db2.gz ZSRICTJDJDZCRZ-XMMPIXPASA-N 1 0 483.588 2.937 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000008710964 569596003 /nfs/dbraw/zinc/59/60/03/569596003.db2.gz BDXUQXFYQHLMEB-OAQYLSRUSA-N 1 0 470.639 2.932 50 0 JFAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2)C1 ZINC000060341428 569608760 /nfs/dbraw/zinc/60/87/60/569608760.db2.gz IIXCLHLTBOHKNI-JOCHJYFZSA-N 1 0 478.593 2.640 50 0 JFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032987558 569609538 /nfs/dbraw/zinc/60/95/38/569609538.db2.gz YKTSZRNGVJGNDS-CQSZACIVSA-N 1 0 451.980 2.951 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3C)s2)CC1 ZINC000032995384 569610232 /nfs/dbraw/zinc/61/02/32/569610232.db2.gz HEVQPJLCKAPCQA-UHFFFAOYSA-N 1 0 458.632 2.565 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1 ZINC000062588335 569612220 /nfs/dbraw/zinc/61/22/20/569612220.db2.gz POYIQYHXSLSUTP-UHFFFAOYSA-N 1 0 482.631 2.884 50 0 JFAARO CC[C@@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000033023840 569619624 /nfs/dbraw/zinc/61/96/24/569619624.db2.gz RTCGAFXVSJGJCZ-LJQANCHMSA-N 1 0 498.653 2.804 50 0 JFAARO CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCCC4)C3)ccc21 ZINC000033023501 569619666 /nfs/dbraw/zinc/61/96/66/569619666.db2.gz JUVAEEXTNDLIJD-HXUWFJFHSA-N 1 0 490.674 2.795 50 0 JFAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCCN2CC[NH+](C)CC2)C3=O)o1 ZINC000033331893 569624569 /nfs/dbraw/zinc/62/45/69/569624569.db2.gz DMYGXKKYVJOTMS-SANMLTNESA-N 1 0 469.630 2.844 50 0 JFAARO Cn1ncc2c3ccccc3n(CC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2c1=O ZINC000064775922 569627735 /nfs/dbraw/zinc/62/77/35/569627735.db2.gz DGIUSXHJRPCFRV-UHFFFAOYSA-N 1 0 457.578 2.959 50 0 JFAARO Cc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064800252 569631243 /nfs/dbraw/zinc/63/12/43/569631243.db2.gz RWSWMIDIOYJBDF-UHFFFAOYSA-N 1 0 450.465 2.995 50 0 JFAARO COc1ccccc1CNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1 ZINC000064836117 569636739 /nfs/dbraw/zinc/63/67/39/569636739.db2.gz YQYPDVPHPUXJEC-UHFFFAOYSA-N 1 0 457.534 2.530 50 0 JFAARO Cn1c2c(C(=O)N3CCN(c4ccccc4)CC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836124 569636756 /nfs/dbraw/zinc/63/67/56/569636756.db2.gz HDUOOMBUFYJJEO-UHFFFAOYSA-N 1 0 482.588 2.554 50 0 JFAARO CCOc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000064836168 569636793 /nfs/dbraw/zinc/63/67/93/569636793.db2.gz UCBWSRDQGNVDCY-UHFFFAOYSA-N 1 0 471.561 2.920 50 0 JFAARO COc1ccc(OC)c(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c1 ZINC000064836166 569636825 /nfs/dbraw/zinc/63/68/25/569636825.db2.gz WAZTUYFPCNYUSV-UHFFFAOYSA-N 1 0 487.560 2.539 50 0 JFAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C[C@@H]2C)c1 ZINC000064839364 569637251 /nfs/dbraw/zinc/63/72/51/569637251.db2.gz GYTYTEXPVNLIGA-NRFANRHFSA-N 1 0 486.620 2.914 50 0 JFAARO COc1ccc(-c2nn(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c(=O)c3noc(C)c32)cc1 ZINC000064842119 569637558 /nfs/dbraw/zinc/63/75/58/569637558.db2.gz RQVRKDJDXPQHMM-INIZCTEOSA-N 1 0 453.543 2.749 50 0 JFAARO COc1ccc(-c2nn(CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c(=O)c3noc(C)c32)cc1 ZINC000064842122 569637569 /nfs/dbraw/zinc/63/75/69/569637569.db2.gz RQVRKDJDXPQHMM-MRXNPFEDSA-N 1 0 453.543 2.749 50 0 JFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000065362661 569675237 /nfs/dbraw/zinc/67/52/37/569675237.db2.gz WLKXSWJHTNJMMH-NRFANRHFSA-N 1 0 463.003 2.884 50 0 JFAARO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000065365334 569675419 /nfs/dbraw/zinc/67/54/19/569675419.db2.gz GLBKBJVGMQQWKJ-UHFFFAOYSA-N 1 0 457.596 2.874 50 0 JFAARO Cc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000035422206 569692630 /nfs/dbraw/zinc/69/26/30/569692630.db2.gz LXKICRPFRXRCGN-UHFFFAOYSA-N 1 0 458.628 2.903 50 0 JFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NC1CC[NH+](Cc3ccccc3)CC1)c2=O ZINC000035446586 569695883 /nfs/dbraw/zinc/69/58/83/569695883.db2.gz MKWIVWVTXLSMFO-UHFFFAOYSA-N 1 0 470.577 2.980 50 0 JFAARO CN(C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000072277201 569701620 /nfs/dbraw/zinc/70/16/20/569701620.db2.gz DWUHKMNPRATLCA-UHFFFAOYSA-N 1 0 485.654 2.937 50 0 JFAARO CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000035559809 569704086 /nfs/dbraw/zinc/70/40/86/569704086.db2.gz GOXRMEWUJGYWKY-XMMPIXPASA-N 1 0 498.649 2.844 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000035561942 569704566 /nfs/dbraw/zinc/70/45/66/569704566.db2.gz PEBBRASFPSABDC-FQEVSTJZSA-N 1 0 453.631 2.800 50 0 JFAARO Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000085642819 569711809 /nfs/dbraw/zinc/71/18/09/569711809.db2.gz NQEIXRCPSMUUKA-UHFFFAOYSA-N 1 0 487.670 2.882 50 0 JFAARO C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(C[NH+]4CCC(C(N)=O)CC4)c3)cn2)C[C@@H](C)O1 ZINC000095360826 569722759 /nfs/dbraw/zinc/72/27/59/569722759.db2.gz ZMRGJGIOFIEAKO-QZTJIDSGSA-N 1 0 451.571 2.645 50 0 JFAARO O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894130 569722824 /nfs/dbraw/zinc/72/28/24/569722824.db2.gz RMXIJQFKDLQBCY-AZGAKELHSA-N 1 0 466.601 2.527 50 0 JFAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1 ZINC000095476902 569724383 /nfs/dbraw/zinc/72/43/83/569724383.db2.gz FIFZZSQOCNCHLR-UHFFFAOYSA-N 1 0 454.615 2.664 50 0 JFAARO C[N@H+]([C@@H]1CCOC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000095698507 569728592 /nfs/dbraw/zinc/72/85/92/569728592.db2.gz IINYQWGVMANIJV-MRXNPFEDSA-N 1 0 452.024 2.866 50 0 JFAARO CCCCCC(=O)N1CCCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926599 569729714 /nfs/dbraw/zinc/72/97/14/569729714.db2.gz LUEHKEGGZCDRJL-UHFFFAOYSA-N 1 0 494.684 2.749 50 0 JFAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCN3CCOCC3)c(=O)cc21 ZINC000036367446 569773080 /nfs/dbraw/zinc/77/30/80/569773080.db2.gz CFOTVJHWGZSFFH-FQEVSTJZSA-N 1 0 469.582 2.690 50 0 biogenic JFAARO Cn1nc2nc(N3CC[NH+](CCc4ccccc4)CC3)nc(-c3ccc4c(c3)OCO4)c2c1N ZINC000037359921 569783855 /nfs/dbraw/zinc/78/38/55/569783855.db2.gz RSDXMECZQVHFHK-UHFFFAOYSA-N 1 0 457.538 2.706 50 0 JFAARO Cc1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCC[NH+]3CCCC3)c2=O)cc1C ZINC000037399624 569787856 /nfs/dbraw/zinc/78/78/56/569787856.db2.gz DBPLPKXQDGUOKV-UHFFFAOYSA-N 1 0 454.958 2.635 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3C)cc21 ZINC000037511480 569791630 /nfs/dbraw/zinc/79/16/30/569791630.db2.gz CUBXHSDURSFTBN-GOSISDBHSA-N 1 0 485.556 2.968 50 0 JFAARO CC[NH+](CC)CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037520089 569792902 /nfs/dbraw/zinc/79/29/02/569792902.db2.gz HRPDUXDERTZPLP-UHFFFAOYSA-N 1 0 473.957 2.785 50 0 JFAARO C[NH+](C)CCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)Cc3cccs3)CC2)CC1 ZINC000037525397 569793522 /nfs/dbraw/zinc/79/35/22/569793522.db2.gz MTLJSHXNBXHWQN-UHFFFAOYSA-N 1 0 497.709 2.785 50 0 JFAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCN(c5ccc(Cl)cc5)CC4)n3)c(C)n2)CC1 ZINC000039383787 569809626 /nfs/dbraw/zinc/80/96/26/569809626.db2.gz MVGATTXCXBSPJZ-UHFFFAOYSA-N 1 0 495.031 2.657 50 0 JFAARO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnnn1CC[NH+](C)C ZINC000040151915 569820080 /nfs/dbraw/zinc/82/00/80/569820080.db2.gz KONDWUOOFIHKKG-UHFFFAOYSA-N 1 0 460.585 2.871 50 0 JFAARO O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+]3CCCC3)cc21 ZINC000040450533 569828539 /nfs/dbraw/zinc/82/85/39/569828539.db2.gz TYYYCHLZLBZIPK-UHFFFAOYSA-N 1 0 456.406 2.512 50 0 JFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000103868505 569838722 /nfs/dbraw/zinc/83/87/22/569838722.db2.gz VHWLCHCYPMWFEA-AABGKKOBSA-N 1 0 464.657 2.751 50 0 JFAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000104358808 569845277 /nfs/dbraw/zinc/84/52/77/569845277.db2.gz IZXZTGMTSDPFMU-QFQXNSOFSA-N 1 0 495.649 2.856 50 0 JFAARO Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000104395918 569845621 /nfs/dbraw/zinc/84/56/21/569845621.db2.gz OIFKQYQGXLLKAK-PMACEKPBSA-N 1 0 478.561 2.869 50 0 JFAARO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)no1 ZINC000105771243 569853384 /nfs/dbraw/zinc/85/33/84/569853384.db2.gz XSMYXSITIWYMKE-QUCCMNQESA-N 1 0 459.616 2.538 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000106135265 569853866 /nfs/dbraw/zinc/85/38/66/569853866.db2.gz HLPMHYUGSMHSSS-UTKZUKDTSA-N 1 0 460.600 2.644 50 0 JFAARO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000107494322 569856468 /nfs/dbraw/zinc/85/64/68/569856468.db2.gz NOWQVHFJOCZEKT-XZOQPEGZSA-N 1 0 471.623 2.928 50 0 JFAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000195529572 569873515 /nfs/dbraw/zinc/87/35/15/569873515.db2.gz MIMANFQAUPQZRP-OALUTQOASA-N 1 0 459.612 2.866 50 0 JFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@@H+](C3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000206146672 569874535 /nfs/dbraw/zinc/87/45/35/569874535.db2.gz AXGYUAKQPKELBZ-OSQCYLMUSA-N 1 0 493.608 2.830 50 0 JFAARO COCCOCC(=O)NC1CCC(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000225523623 570002258 /nfs/dbraw/zinc/00/22/58/570002258.db2.gz ATCVWNOJANXGNP-UHFFFAOYSA-N 1 0 463.644 2.554 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000227041194 570039742 /nfs/dbraw/zinc/03/97/42/570039742.db2.gz KBMFWHVXHYDCLZ-MPWBWRNSSA-N 1 0 495.963 2.827 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000241564208 570053336 /nfs/dbraw/zinc/05/33/36/570053336.db2.gz OSGDALUSAQFRRM-SSQPMERFSA-N 1 0 468.708 2.785 50 0 JFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000241564207 570053346 /nfs/dbraw/zinc/05/33/46/570053346.db2.gz OSGDALUSAQFRRM-IDNQLYMWSA-N 1 0 468.708 2.785 50 0 JFAARO CN(CCC(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000244794586 570054311 /nfs/dbraw/zinc/05/43/11/570054311.db2.gz QPLUYVJIXHVKRS-ZWKOTPCHSA-N 1 0 469.028 2.997 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](CCSC)[NH2+][C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000248268578 570077197 /nfs/dbraw/zinc/07/71/97/570077197.db2.gz YUKOQZBTSJQSDD-QCBUCWTNSA-N 1 0 466.401 2.723 50 0 JFAARO O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252548517 570083369 /nfs/dbraw/zinc/08/33/69/570083369.db2.gz PZDJQUNSZMDEKQ-NYVOZVTQSA-N 1 0 451.571 2.606 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000253386057 570095281 /nfs/dbraw/zinc/09/52/81/570095281.db2.gz VLLZQAAEDQPPCC-KTYKWIDISA-N 1 0 451.523 2.625 50 0 JFAARO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253426685 570098812 /nfs/dbraw/zinc/09/88/12/570098812.db2.gz IEPQIYNTIZDYDW-HXUWFJFHSA-N 1 0 470.035 2.643 50 0 JFAARO COc1cccc([C@@]2(CC(=O)N3CCCC[C@H]3c3nccs3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000299779663 570176479 /nfs/dbraw/zinc/17/64/79/570176479.db2.gz QEJZJCYQDZOPRJ-NBGIEHNGSA-N 1 0 484.622 2.854 50 0 JFAARO Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009911876 195022080 /nfs/dbraw/zinc/02/20/80/195022080.db2.gz NENXJBQIIRCSQF-SFHVURJKSA-N 1 0 454.556 2.706 50 0 JFAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)nc1sc(NCc3ccccc3)nn1c2=O ZINC000009939889 195029042 /nfs/dbraw/zinc/02/90/42/195029042.db2.gz MWZNXYZUMYUTSQ-UHFFFAOYSA-N 1 0 450.568 2.988 50 0 JFAARO CCOc1ccc(CCC2CC[NH+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc1 ZINC000012602717 195047954 /nfs/dbraw/zinc/04/79/54/195047954.db2.gz MSCFCGUZWBWPIM-UHFFFAOYSA-N 1 0 453.587 2.567 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cc(C)no2)CC1 ZINC000012635334 195066879 /nfs/dbraw/zinc/06/68/79/195066879.db2.gz PRHSQBHXPOARLA-UHFFFAOYSA-N 1 0 461.588 2.552 50 0 JFAARO CC(C)[NH+](CCn1c(SCc2nc(N)nc(N(C)C)n2)nc2ccccc2c1=O)C(C)C ZINC000012689537 195087690 /nfs/dbraw/zinc/08/76/90/195087690.db2.gz PDRBKNWBFVABAP-UHFFFAOYSA-N 1 0 456.620 2.641 50 0 JFAARO COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000012891504 195173022 /nfs/dbraw/zinc/17/30/22/195173022.db2.gz MHXNSPBGLHSZAZ-DHIUTWEWSA-N 1 0 475.586 2.941 50 0 JFAARO CC[NH+](CC)CCCNC(=O)c1sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c2c1C ZINC000020758007 195216874 /nfs/dbraw/zinc/21/68/74/195216874.db2.gz PBWGWXQDXHFMOZ-IRXDYDNUSA-N 1 0 475.659 2.733 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(C)c1C ZINC000020905514 195244860 /nfs/dbraw/zinc/24/48/60/195244860.db2.gz IXOAKYFIVLZVBW-UHFFFAOYSA-N 1 0 463.582 2.700 50 0 JFAARO Cc1noc2ncnc(N3CCC(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)c12 ZINC000020944897 195256672 /nfs/dbraw/zinc/25/66/72/195256672.db2.gz ADAAVYXQWLFDOM-UHFFFAOYSA-N 1 0 481.576 2.610 50 0 JFAARO 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O=C(NCc1ccccc1F)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033034387 526752020 /nfs/dbraw/zinc/75/20/20/526752020.db2.gz UIVXIZDWWIZKDR-UHFFFAOYSA-N 1 0 468.554 2.966 50 0 JFAARO O=C(c1ccco1)N1CCC([C@]2(Cc3ccccc3)NC(=O)N(CC[NH+]3CCCC3)C2=O)CC1 ZINC000014963712 526826218 /nfs/dbraw/zinc/82/62/18/526826218.db2.gz BVUCRMLPQPUGIH-SANMLTNESA-N 1 0 464.566 2.761 50 0 JFAARO Cn1c2ccccc2nc(N2CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1=O ZINC000022596547 527113613 /nfs/dbraw/zinc/11/36/13/527113613.db2.gz XENARECSFFXZDV-OAQYLSRUSA-N 1 0 459.594 2.931 50 0 JFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(C[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000020366830 527272316 /nfs/dbraw/zinc/27/23/16/527272316.db2.gz DLXWLLKHLNVYSK-UHFFFAOYSA-N 1 0 464.031 2.673 50 0 JFAARO O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020489842 527351079 /nfs/dbraw/zinc/35/10/79/527351079.db2.gz AGPSRNVBYOLQBO-UHFFFAOYSA-N 1 0 475.568 2.717 50 0 JFAARO Cn1cnc2c(C(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)nn(-c3ccccc3)c2c1=O ZINC000064998252 527492232 /nfs/dbraw/zinc/49/22/32/527492232.db2.gz IGLPXUWQBQZXTR-UHFFFAOYSA-N 1 0 474.540 2.900 50 0 JFAARO Cc1nn(-c2ccc(-c3ccc(C)c(C)c3)nn2)c(C)c1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000033308201 527518595 /nfs/dbraw/zinc/51/85/95/527518595.db2.gz JNDSEMILXZCAJQ-UHFFFAOYSA-N 1 0 454.600 2.937 50 0 JFAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014733292 527671478 /nfs/dbraw/zinc/67/14/78/527671478.db2.gz SHRRNHSTSBQCKQ-XZOQPEGZSA-N 1 0 470.589 2.576 50 0 JFAARO CCOc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1 ZINC000008778517 554675487 /nfs/dbraw/zinc/67/54/87/554675487.db2.gz ICOWRGKTWCVBEL-GOSISDBHSA-N 1 0 466.586 2.569 50 0 JFAARO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000008825439 554713645 /nfs/dbraw/zinc/71/36/45/554713645.db2.gz QZIXPKBXDFUKFT-UHFFFAOYSA-N 1 0 472.611 2.680 50 0 JFAARO FC(F)(F)COc1nc(N2CCOCC2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008856109 554752032 /nfs/dbraw/zinc/75/20/32/554752032.db2.gz OAEBQUSKVGSTKE-UHFFFAOYSA-N 1 0 482.551 2.740 50 0 JFAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCC(N)=O)[NH2+][C@@]12c1cc(C)cc(C)c1NC2=O ZINC000008876725 554771826 /nfs/dbraw/zinc/77/18/26/554771826.db2.gz MRZIAJXGUANQOF-ICKUNSISSA-N 1 0 470.957 2.995 50 0 biogenic JFAARO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008944193 554833094 /nfs/dbraw/zinc/83/30/94/554833094.db2.gz KSUWGHTXFKYVMY-NFBKMPQASA-N 1 0 499.633 2.906 50 0 JFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000009226003 554998582 /nfs/dbraw/zinc/99/85/82/554998582.db2.gz GPQXBQKKXSQFKY-IBGZPJMESA-N 1 0 457.575 2.566 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000009229013 555003078 /nfs/dbraw/zinc/00/30/78/555003078.db2.gz LGXFBJBQZGTLMJ-UHFFFAOYSA-N 1 0 477.030 2.822 50 0 JFAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000009377246 555138629 /nfs/dbraw/zinc/13/86/29/555138629.db2.gz XEBVIYQHKRDTNH-UHFFFAOYSA-N 1 0 481.574 2.885 50 0 JFAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530025 555324610 /nfs/dbraw/zinc/32/46/10/555324610.db2.gz CZYNOWLCDXWTMI-DQLDELGASA-N 1 0 490.651 2.990 50 0 JFAARO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000009634341 555339366 /nfs/dbraw/zinc/33/93/66/555339366.db2.gz SMHXUODJSYZUTN-UHFFFAOYSA-N 1 0 486.638 2.989 50 0 JFAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21 ZINC000009604165 555430509 /nfs/dbraw/zinc/43/05/09/555430509.db2.gz PQKCFLXVCUTCJS-UHFFFAOYSA-N 1 0 492.623 2.772 50 0 JFAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2c(cccc2F)s1 ZINC000009603972 555430665 /nfs/dbraw/zinc/43/06/65/555430665.db2.gz KCYPGKUQKOKXMV-UHFFFAOYSA-N 1 0 492.598 2.665 50 0 JFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009608281 555435368 /nfs/dbraw/zinc/43/53/68/555435368.db2.gz DETKUMVRMCGKLY-AOCRQIFASA-N 1 0 479.672 2.767 50 0 JFAARO Cc1ccc(Cn2c(N3CC[NH+](Cc4cc(C)ccc4C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000009714255 555442826 /nfs/dbraw/zinc/44/28/26/555442826.db2.gz QRPOSHHBHGRCMZ-UHFFFAOYSA-N 1 0 472.593 2.719 50 0 JFAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000009714449 555443453 /nfs/dbraw/zinc/44/34/53/555443453.db2.gz AHTOKXWQJHSKAL-UHFFFAOYSA-N 1 0 465.385 2.556 50 0 JFAARO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000009714450 555443516 /nfs/dbraw/zinc/44/35/16/555443516.db2.gz UXDNOEKQGIWLHU-UHFFFAOYSA-N 1 0 479.412 2.947 50 0 JFAARO Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C/C=C/c3ccccc3)CC2)cc1 ZINC000009714526 555444017 /nfs/dbraw/zinc/44/40/17/555444017.db2.gz WLOFZSNLITZXFN-RMKNXTFCSA-N 1 0 470.577 2.767 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)cc2)CC1 ZINC000009716665 555450349 /nfs/dbraw/zinc/45/03/49/555450349.db2.gz BFBKZQBZZXNVME-UHFFFAOYSA-N 1 0 458.584 2.530 50 0 JFAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(C(=O)OC)cc2)c2c1CCCC2 ZINC000009747049 555478941 /nfs/dbraw/zinc/47/89/41/555478941.db2.gz DMJKJBNOMGEJIL-UHFFFAOYSA-N 1 0 472.611 2.981 50 0 JFAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000013592228 555526815 /nfs/dbraw/zinc/52/68/15/555526815.db2.gz IJCOBUVXPJVBMD-IQLSSHKPSA-N 1 0 471.941 2.970 50 0 JFAARO COc1ccc([C@H](CNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)[NH+]2CCCC2)cc1 ZINC000010037567 555603968 /nfs/dbraw/zinc/60/39/68/555603968.db2.gz ARNBSBRAHLFSQF-DEOSSOPVSA-N 1 0 486.638 2.985 50 0 JFAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000013811642 555628399 /nfs/dbraw/zinc/62/83/99/555628399.db2.gz PTZRFZNTGHBZIJ-QSNWEANLSA-N 1 0 452.308 2.880 50 0 JFAARO C[NH+]1CCN(CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)CC1 ZINC000020180694 555687012 /nfs/dbraw/zinc/68/70/12/555687012.db2.gz LFQDFNNTVLWIJC-HAVVHWLPSA-N 1 0 468.985 2.860 50 0 JFAARO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000014252385 555754286 /nfs/dbraw/zinc/75/42/86/555754286.db2.gz SGWDIKIJGIWORB-GOSISDBHSA-N 1 0 466.003 2.572 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C2)cc1 ZINC000014254435 555755794 /nfs/dbraw/zinc/75/57/94/555755794.db2.gz ITTIWIKMQXEHGY-WIYYLYMNSA-N 1 0 461.584 2.642 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020288972 555759013 /nfs/dbraw/zinc/75/90/13/555759013.db2.gz FLODDTSRULRJLR-CVDCTZTESA-N 1 0 489.661 2.713 50 0 JFAARO CC[NH+](CC)CCCNC(=S)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 ZINC000020355797 555784458 /nfs/dbraw/zinc/78/44/58/555784458.db2.gz SNRGZCJWBZHZQH-UHFFFAOYSA-N 1 0 470.622 2.659 50 0 JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000011556957 555787273 /nfs/dbraw/zinc/78/72/73/555787273.db2.gz SWNHKNRMCSCDAD-UHFFFAOYSA-N 1 0 455.584 2.953 50 0 JFAARO Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCCCN5CC[NH+](C)CC5)C4)sc3n2)cc1 ZINC000020531963 555799767 /nfs/dbraw/zinc/79/97/67/555799767.db2.gz GPCPZIMEBFYVKX-OAQYLSRUSA-N 1 0 481.670 2.736 50 0 JFAARO O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000020558067 555809584 /nfs/dbraw/zinc/80/95/84/555809584.db2.gz LBRFERFWBILUAZ-UHFFFAOYSA-N 1 0 482.606 2.559 50 0 JFAARO O=C(COc1ccc(N2CC[NH+](C3CCCCC3)CC2)nn1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000011786335 555819678 /nfs/dbraw/zinc/81/96/78/555819678.db2.gz AOEZKJYICTYXMZ-DEOSSOPVSA-N 1 0 494.640 2.913 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000020566310 555820649 /nfs/dbraw/zinc/82/06/49/555820649.db2.gz AEDJGYAMWXYUMV-HJJDGDTKSA-N 1 0 497.979 2.976 50 0 JFAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)c1ccc3ccccc3c1)CC2 ZINC000011787438 555821642 /nfs/dbraw/zinc/82/16/42/555821642.db2.gz IVJBBSPZGLYCRQ-JOCHJYFZSA-N 1 0 462.598 2.895 50 0 JFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014533830 555822255 /nfs/dbraw/zinc/82/22/55/555822255.db2.gz AQFDODRDIXOLLC-UHFFFAOYSA-N 1 0 486.956 2.909 50 0 JFAARO C[C@@H]1C[C@@H](C(=O)N2CCC([C@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)NC(=S)N1 ZINC000011788679 555823140 /nfs/dbraw/zinc/82/31/40/555823140.db2.gz FNDWMHVEAICFHU-YGOYIFOWSA-N 1 0 465.667 2.988 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C(=O)C3=CCCCC3)CC2)C1=O ZINC000011789112 555823805 /nfs/dbraw/zinc/82/38/05/555823805.db2.gz DUVAPMJAVPLTQB-AREMUKBSSA-N 1 0 470.589 2.959 50 0 JFAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+]CCc4c(C)n[nH]c4C)CC3)cc2)CC1 ZINC000011790183 555825656 /nfs/dbraw/zinc/82/56/56/555825656.db2.gz LJDUDNCRRVZBRJ-UHFFFAOYSA-N 1 0 482.629 2.742 50 0 JFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH+]1CCN(c3ccc(O)cc3)CC1)C2 ZINC000014536931 555826383 /nfs/dbraw/zinc/82/63/83/555826383.db2.gz HRYNKAGPMPZJTD-FQEVSTJZSA-N 1 0 469.655 2.867 50 0 JFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000014537192 555826391 /nfs/dbraw/zinc/82/63/91/555826391.db2.gz XPPLDWPOMZCZHE-UHFFFAOYSA-N 1 0 480.565 2.688 50 0 JFAARO CC[C@@H](C)C(=O)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CC[NH+]3CCCC3)C2=O)CC1 ZINC000011814903 555829934 /nfs/dbraw/zinc/82/99/34/555829934.db2.gz XNRUHCWDIVQPKV-FQRUVTKNSA-N 1 0 454.615 2.900 50 0 JFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014541105 555831484 /nfs/dbraw/zinc/83/14/84/555831484.db2.gz MJBFFRUCAPNNMD-UHFFFAOYSA-N 1 0 479.581 2.876 50 0 JFAARO Cc1csc(-c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3C)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014541708 555832355 /nfs/dbraw/zinc/83/23/55/555832355.db2.gz FSMMRRPCGNTSGF-FQEVSTJZSA-N 1 0 477.652 2.959 50 0 JFAARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014542913 555834041 /nfs/dbraw/zinc/83/40/41/555834041.db2.gz MCZIIDDKQOXOEI-UHFFFAOYSA-N 1 0 469.586 2.573 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c(OC)c1C ZINC000020599373 555841016 /nfs/dbraw/zinc/84/10/16/555841016.db2.gz OTLITQJOQKSJGJ-KRWDZBQOSA-N 1 0 450.543 2.548 50 0 JFAARO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2cc(OC)ccc2OC)CC3)c1 ZINC000014987780 555841814 /nfs/dbraw/zinc/84/18/14/555841814.db2.gz NUJQQEBQMOVPDZ-QGZVFWFLSA-N 1 0 465.554 2.853 50 0 JFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1OC ZINC000011880895 555848910 /nfs/dbraw/zinc/84/89/10/555848910.db2.gz BBVBHLHKHVFYII-SFHVURJKSA-N 1 0 495.580 2.618 50 0 JFAARO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCC([NH+]3CCC(O)CC3)CC2)[nH]c1=O ZINC000011911117 555858762 /nfs/dbraw/zinc/85/87/62/555858762.db2.gz STJCOAWIOWSHMC-RUZDIDTESA-N 1 0 464.610 2.603 50 0 JFAARO O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]CCc3cn4ccccc4n3)CC2)cc1 ZINC000011912210 555860593 /nfs/dbraw/zinc/86/05/93/555860593.db2.gz XMPCJIDAPZFXFH-DEOSSOPVSA-N 1 0 474.609 2.534 50 0 JFAARO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccccc2)CC1 ZINC000011998421 555880996 /nfs/dbraw/zinc/88/09/96/555880996.db2.gz DTLUIAMHHIFOMP-QFIPXVFZSA-N 1 0 491.635 2.505 50 0 JFAARO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccccc2)CC1 ZINC000011998720 555881400 /nfs/dbraw/zinc/88/14/00/555881400.db2.gz BMGJVYSQVWVAOF-QFIPXVFZSA-N 1 0 455.580 2.956 50 0 JFAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)cc1 ZINC000012035799 555889167 /nfs/dbraw/zinc/88/91/67/555889167.db2.gz MROOGVXAJPWBJN-ONEGZZNKSA-N 1 0 461.566 2.839 50 0 JFAARO COC(=O)C1CC[NH+]([C@H]2CCCN(c3nc(C)c4ccc(S(C)(=O)=O)cc4n3)CC2)CC1 ZINC000012041401 555894074 /nfs/dbraw/zinc/89/40/74/555894074.db2.gz MBMYKAKMEHBYEL-SFHVURJKSA-N 1 0 460.600 2.586 50 0 JFAARO O=C(CSc1nn2c(nc3c(c2=O)C[N@H+](CCc2ccccc2)CC3)s1)N1CCCCC1 ZINC000015414158 555905770 /nfs/dbraw/zinc/90/57/70/555905770.db2.gz XOICHLAOZYGDLT-UHFFFAOYSA-N 1 0 469.636 2.856 50 0 JFAARO COc1cccc(-n2c(CNC(=O)c3ccc(OC)cc3OC)nnc2SCC[NH+](C)C)c1 ZINC000012152607 555926737 /nfs/dbraw/zinc/92/67/37/555926737.db2.gz IHKYQENVHAIGNJ-UHFFFAOYSA-N 1 0 471.583 2.877 50 0 JFAARO O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000012247778 555946987 /nfs/dbraw/zinc/94/69/87/555946987.db2.gz YYYHTCDVNNKPQK-MHZLTWQESA-N 1 0 492.645 2.708 50 0 JFAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000015723745 555958791 /nfs/dbraw/zinc/95/87/91/555958791.db2.gz KQUKWCKFBPNCQF-AREMUKBSSA-N 1 0 486.661 2.562 50 0 JFAARO COc1ccc(-c2noc(CN3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)n2)cc1OC ZINC000015726440 555964693 /nfs/dbraw/zinc/96/46/93/555964693.db2.gz JXEZEBUVWKIZBZ-GOSISDBHSA-N 1 0 471.602 2.956 50 0 JFAARO C=C1C(N2CCC(C(=O)NCC[NH+](CC)CC)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015732989 555977668 /nfs/dbraw/zinc/97/76/68/555977668.db2.gz RFUBJKBHUHJPHD-UHFFFAOYSA-N 1 0 467.035 2.983 50 0 JFAARO COc1ccc(-c2c(C)c3ccc(OCCN4CC[NH+](CCO)CC4)cc3oc2=O)cc1OC ZINC000022934483 555986896 /nfs/dbraw/zinc/98/68/96/555986896.db2.gz FJPOSFVCWXTUDP-UHFFFAOYSA-N 1 0 468.550 2.774 50 0 JFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc(C)cc2)CC1 ZINC000012526502 555995098 /nfs/dbraw/zinc/99/50/98/555995098.db2.gz MEMDGEBVNSRXGT-DHZHZOJOSA-N 1 0 498.649 2.810 50 0 JFAARO C[N@H+](CCNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1)Cc1ccccc1 ZINC000015777499 555997177 /nfs/dbraw/zinc/99/71/77/555997177.db2.gz KMYVWOSRPOGHMP-UHFFFAOYSA-N 1 0 456.616 2.520 50 0 JFAARO CC1CC[NH+](CCCNC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)CC1 ZINC000015779750 555998232 /nfs/dbraw/zinc/99/82/32/555998232.db2.gz RQDBZCNXMZIUBM-UHFFFAOYSA-N 1 0 454.550 2.580 50 0 JFAARO O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCC[NH+]1CCCCCC1 ZINC000015787054 556006823 /nfs/dbraw/zinc/00/68/23/556006823.db2.gz ZVWADXOMRYSYLR-UHFFFAOYSA-N 1 0 463.582 2.742 50 0 JFAARO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](CCO)CC2)cc1 ZINC000023086386 556007363 /nfs/dbraw/zinc/00/73/63/556007363.db2.gz MQPBVTOCMHUFIE-AREMUKBSSA-N 1 0 463.578 2.619 50 0 JFAARO CC(C)c1ccc(C[NH+]2CCN(Cn3nc(C[C@@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 ZINC000023254234 556035638 /nfs/dbraw/zinc/03/56/38/556035638.db2.gz NDYPXSFPAPTTGW-FQEVSTJZSA-N 1 0 477.700 2.827 50 0 JFAARO O=C(CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000015862701 556035775 /nfs/dbraw/zinc/03/57/75/556035775.db2.gz DGOWGRJGFNXUAJ-UHFFFAOYSA-N 1 0 457.930 2.631 50 0 JFAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)Cc1ccc(C)cc1 ZINC000015862667 556035811 /nfs/dbraw/zinc/03/58/11/556035811.db2.gz WFKYUXBKSHJWQN-UHFFFAOYSA-N 1 0 466.003 2.670 50 0 JFAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000015864308 556039419 /nfs/dbraw/zinc/03/94/19/556039419.db2.gz MSMWIEJPKUZNFH-UHFFFAOYSA-N 1 0 459.612 2.633 50 0 JFAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2)CN1Cc1ccccc1Cl ZINC000023361904 556049218 /nfs/dbraw/zinc/04/92/18/556049218.db2.gz FBJCJNAYMAJDIN-UNMCSNQZSA-N 1 0 459.974 2.622 50 0 JFAARO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000012567131 556065915 /nfs/dbraw/zinc/06/59/15/556065915.db2.gz CZJXQVQXNABVMD-QGZVFWFLSA-N 1 0 461.584 2.995 50 0 JFAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CCSC)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959285 556091075 /nfs/dbraw/zinc/09/10/75/556091075.db2.gz OZPDLDAFYHUBIS-XCBFCAQUSA-N 1 0 463.603 2.965 50 0 biogenic JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000016010178 556109484 /nfs/dbraw/zinc/10/94/84/556109484.db2.gz WUVJXONIDKVXES-MSZDEVHKSA-N 1 0 475.451 2.838 50 0 JFAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016025148 556115973 /nfs/dbraw/zinc/11/59/73/556115973.db2.gz QLMIIQZZDXGISD-LDNFRZNASA-N 1 0 466.401 2.721 50 0 JFAARO C[C@]1(CSc2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)NC(=O)NC1=O ZINC000012914356 556133317 /nfs/dbraw/zinc/13/33/17/556133317.db2.gz DQPJHYUDASJVIH-XMMPIXPASA-N 1 0 452.580 2.903 50 0 JFAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 ZINC000016806258 556162484 /nfs/dbraw/zinc/16/24/84/556162484.db2.gz BVYCUKYZJCDRQF-NRFANRHFSA-N 1 0 469.925 2.807 50 0 JFAARO CNC(=O)NC(=O)[C@H](Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C)c1ccccc1 ZINC000012974444 556166099 /nfs/dbraw/zinc/16/60/99/556166099.db2.gz AZKPUCDPFNRFGN-LJQANCHMSA-N 1 0 453.568 2.637 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1cccs1 ZINC000012976599 556169322 /nfs/dbraw/zinc/16/93/22/556169322.db2.gz TUAXKVRFXMPOQH-GOSISDBHSA-N 1 0 457.568 2.846 50 0 JFAARO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000012993057 556185014 /nfs/dbraw/zinc/18/50/14/556185014.db2.gz UBJOALHRPPZZIW-INIZCTEOSA-N 1 0 467.522 2.714 50 0 JFAARO Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)[nH+]1 ZINC000017012699 556202647 /nfs/dbraw/zinc/20/26/47/556202647.db2.gz BGBHKRLYHMFMCD-UHFFFAOYSA-N 1 0 466.405 2.659 50 0 JFAARO COc1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025778072 556233406 /nfs/dbraw/zinc/23/34/06/556233406.db2.gz MDXLUAMCAFWFFU-QHCPKHFHSA-N 1 0 463.582 2.695 50 0 JFAARO C[NH+](C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000026392759 556253059 /nfs/dbraw/zinc/25/30/59/556253059.db2.gz GGBUNFWPFOWYBF-GOSISDBHSA-N 1 0 457.021 2.720 50 0 JFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000026568190 556257211 /nfs/dbraw/zinc/25/72/11/556257211.db2.gz RHXZQTUQBLKYEV-UHFFFAOYSA-N 1 0 450.992 2.707 50 0 JFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000017911333 556270907 /nfs/dbraw/zinc/27/09/07/556270907.db2.gz WRILWZNSNIWCPH-QHCPKHFHSA-N 1 0 475.611 2.716 50 0 JFAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000018077717 556284464 /nfs/dbraw/zinc/28/44/64/556284464.db2.gz MSXBMLBAEGWVNG-RTWAWAEBSA-N 1 0 470.957 2.877 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)c(C)c2)CC1 ZINC000028731880 556340670 /nfs/dbraw/zinc/34/06/70/556340670.db2.gz PFNDHPYYSIRSQZ-QFIPXVFZSA-N 1 0 486.638 2.847 50 0 JFAARO COCCCN1C(=O)C[C@@](CC(=O)N2CC[NH+](C3CCCC3)CC2)(c2ccccc2Cl)C1=O ZINC000019744621 556366029 /nfs/dbraw/zinc/36/60/29/556366029.db2.gz WQQAIAAMQTXXEI-VWLOTQADSA-N 1 0 476.017 2.850 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2)CC1 ZINC000032747833 556484688 /nfs/dbraw/zinc/48/46/88/556484688.db2.gz KURGTVWMLVUYMO-HXUWFJFHSA-N 1 0 486.638 2.877 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)CC1 ZINC000032945095 556559653 /nfs/dbraw/zinc/55/96/53/556559653.db2.gz BEKKCAAUEDBCJD-QGZVFWFLSA-N 1 0 467.536 2.737 50 0 JFAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nc(N)cc(N)[nH+]1)CC2 ZINC000032956341 556569908 /nfs/dbraw/zinc/56/99/08/556569908.db2.gz SVUSHZFVBNCSGB-QFIPXVFZSA-N 1 0 451.552 2.925 50 0 JFAARO CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+]Cc1cccc(Cl)c1 ZINC000061886735 563209677 /nfs/dbraw/zinc/20/96/77/563209677.db2.gz CMNTVUZKKPRQTJ-UHFFFAOYSA-N 1 0 495.045 2.935 50 0 JFAARO COc1ccc([C@@H](CNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000057281195 569595473 /nfs/dbraw/zinc/59/54/73/569595473.db2.gz GWHBOYUULKHMHF-XMMPIXPASA-N 1 0 483.588 2.937 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414741 569600258 /nfs/dbraw/zinc/60/02/58/569600258.db2.gz OOQUKDVASJUXGH-DEOSSOPVSA-N 1 0 464.566 2.684 50 0 JFAARO CCOc1ccc([C@@H]2NC(=O)N=C(CN3CCC([NH+]4CCCCC4)CC3)C2C(=O)OC)cc1 ZINC000057415343 569600704 /nfs/dbraw/zinc/60/07/04/569600704.db2.gz FVOUNNYKNQUKTP-QHCPKHFHSA-N 1 0 456.587 2.817 50 0 JFAARO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000060162235 569608544 /nfs/dbraw/zinc/60/85/44/569608544.db2.gz NOWQVHFJOCZEKT-GOTSBHOMSA-N 1 0 471.623 2.928 50 0 JFAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc2)s1 ZINC000033011084 569616987 /nfs/dbraw/zinc/61/69/87/569616987.db2.gz MXONFXNDHWOUCV-UHFFFAOYSA-N 1 0 464.595 2.646 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3nc4ncccc4n4cccc34)C2)CC1 ZINC000033019108 569618474 /nfs/dbraw/zinc/61/84/74/569618474.db2.gz BCUNHAKEWOTWGS-OAQYLSRUSA-N 1 0 463.630 2.633 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292284 569622425 /nfs/dbraw/zinc/62/24/25/569622425.db2.gz XCJGPXITKSGCHS-UHFFFAOYSA-N 1 0 495.605 2.916 50 0 JFAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1Cl ZINC000064814540 569632222 /nfs/dbraw/zinc/63/22/22/569632222.db2.gz MOMGNLOOCKAHFE-UHFFFAOYSA-N 1 0 451.980 2.558 50 0 JFAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000064817004 569634032 /nfs/dbraw/zinc/63/40/32/569634032.db2.gz QHVDSUGUOUVZIJ-UHFFFAOYSA-N 1 0 468.627 2.820 50 0 JFAARO Cc1ccc(-n2c(=O)c3ccc(C(=O)NCC[NH+]4CCCCC4)cc3nc2N2CCOCC2)cc1 ZINC000064819344 569635666 /nfs/dbraw/zinc/63/56/66/569635666.db2.gz DKIBUKGGVHQQOZ-UHFFFAOYSA-N 1 0 475.593 2.746 50 0 JFAARO COc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000064836143 569636780 /nfs/dbraw/zinc/63/67/80/569636780.db2.gz QRNSORGPJGPQTN-UHFFFAOYSA-N 1 0 457.534 2.530 50 0 JFAARO CC[NH+](CC)CCNC(=O)CC1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000064846744 569638725 /nfs/dbraw/zinc/63/87/25/569638725.db2.gz ZVKLUPYHOCHEBK-UHFFFAOYSA-N 1 0 450.580 2.804 50 0 JFAARO CCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025136 569650250 /nfs/dbraw/zinc/65/02/50/569650250.db2.gz XGVJBTHOBGVOPJ-UHFFFAOYSA-N 1 0 479.606 2.954 50 0 JFAARO CN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025138 569650343 /nfs/dbraw/zinc/65/03/43/569650343.db2.gz VOIKGCVOXAFSLL-UHFFFAOYSA-N 1 0 465.579 2.564 50 0 JFAARO O=C(NCCCc1ccccc1)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025116 569650370 /nfs/dbraw/zinc/65/03/70/569650370.db2.gz CDUBGWAIXQRXMS-UHFFFAOYSA-N 1 0 497.596 2.794 50 0 JFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062299 569655797 /nfs/dbraw/zinc/65/57/97/569655797.db2.gz UBDBYEVALQRIHQ-KRWDZBQOSA-N 1 0 491.123 2.582 50 0 JFAARO COc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000065074714 569657292 /nfs/dbraw/zinc/65/72/92/569657292.db2.gz ZHBXFJUTPDBMAO-UHFFFAOYSA-N 1 0 463.003 2.663 50 0 biogenic JFAARO CC(C)n1c2ccc(S(=O)(=O)N3CCC(CC(=O)NCCC[NH+]4CCCC4)CC3)cc2oc1=O ZINC000065086149 569660745 /nfs/dbraw/zinc/66/07/45/569660745.db2.gz GEVOLEZWWGLSMS-UHFFFAOYSA-N 1 0 492.642 2.568 50 0 JFAARO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000065102579 569664358 /nfs/dbraw/zinc/66/43/58/569664358.db2.gz CPOILALWNVVYLW-UHFFFAOYSA-N 1 0 454.644 2.516 50 0 JFAARO CC(C)c1cc(=O)n(CC2CC2)c2cc(OCC(=O)NCCCN3CC[NH+](C)CC3)ccc12 ZINC000034836283 569665270 /nfs/dbraw/zinc/66/52/70/569665270.db2.gz XMAXETOEROUNHC-UHFFFAOYSA-N 1 0 454.615 2.667 50 0 JFAARO Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCCN3CC[NH+](C)CC3)ccc12 ZINC000034836021 569665314 /nfs/dbraw/zinc/66/53/14/569665314.db2.gz WRZORPKFBIJTHZ-UHFFFAOYSA-N 1 0 480.584 2.630 50 0 JFAARO CCOc1ccc([C@H]2NC(=O)N=C(CN3CC[NH+](C4CCCCC4)CC3)C2C(=O)OC)cc1 ZINC000067287201 569684291 /nfs/dbraw/zinc/68/42/91/569684291.db2.gz QKCNHDHPUDRXRM-HSZRJFAPSA-N 1 0 456.587 2.817 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035375426 569684609 /nfs/dbraw/zinc/68/46/09/569684609.db2.gz XZIVEQWPLWUYGI-BMCOSUIVSA-N 1 0 453.926 2.807 50 0 JFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)CC1 ZINC000035398554 569689063 /nfs/dbraw/zinc/68/90/63/569689063.db2.gz YSZRLZGULCLPRS-UHFFFAOYSA-N 1 0 450.631 2.812 50 0 JFAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Br)cc2)c1 ZINC000035421831 569692294 /nfs/dbraw/zinc/69/22/94/569692294.db2.gz NBGNUFQQJPCOSZ-UHFFFAOYSA-N 1 0 460.372 2.922 50 0 JFAARO O=C(CNC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1)N[C@@H]1CCCc2ccccc21 ZINC000069393611 569692902 /nfs/dbraw/zinc/69/29/02/569692902.db2.gz YQWCTGWPYPGQTJ-DNRSQYFGSA-N 1 0 488.632 2.812 50 0 JFAARO Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCC3)c2)c(C)c1 ZINC000035514046 569698732 /nfs/dbraw/zinc/69/87/32/569698732.db2.gz HNOINDXEWXYUSC-UHFFFAOYSA-N 1 0 471.627 2.890 50 0 JFAARO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000079481567 569707413 /nfs/dbraw/zinc/70/74/13/569707413.db2.gz PHBSIHXMXQEWGN-UHFFFAOYSA-N 1 0 465.520 2.813 50 0 JFAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@]32c3ccccc3NC2=O)cc1OC ZINC000095346220 569722366 /nfs/dbraw/zinc/72/23/66/569722366.db2.gz WERCRISNVZOEAQ-KKBCGBJISA-N 1 0 477.561 2.713 50 0 JFAARO O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908063 569723828 /nfs/dbraw/zinc/72/38/28/569723828.db2.gz HHKVYXMKMZHDRG-JTHBVZDNSA-N 1 0 480.575 2.759 50 0 JFAARO Cc1ncc(CN2CC[NH+](CCO)CC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095473690 569724091 /nfs/dbraw/zinc/72/40/91/569724091.db2.gz UVKZTTQCULMEOI-UHFFFAOYSA-N 1 0 463.490 2.748 50 0 JFAARO COc1cccc(C[N@@H+]2CCCN(c3nc(CN4CCN(c5ccccc5)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926818 569730048 /nfs/dbraw/zinc/73/00/48/569730048.db2.gz HMTSWWDBBBZPBO-UHFFFAOYSA-N 1 0 488.636 2.813 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991487 569744490 /nfs/dbraw/zinc/74/44/90/569744490.db2.gz HYHHSDAHCSNJJB-LJQANCHMSA-N 1 0 454.493 2.856 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991482 569744526 /nfs/dbraw/zinc/74/45/26/569744526.db2.gz BHYVRJHPCBIQJM-IBGZPJMESA-N 1 0 454.493 2.856 50 0 JFAARO COC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1 ZINC000100112606 569753081 /nfs/dbraw/zinc/75/30/81/569753081.db2.gz VCGQRVLMKIIIOV-FBCSTPJJSA-N 1 0 451.567 2.692 50 0 JFAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4nc(C)c5ccc(C)cc5n4)n3)c(C)n2)CC1 ZINC000036235774 569757565 /nfs/dbraw/zinc/75/75/65/569757565.db2.gz SPNXDBZTMAVKAM-UHFFFAOYSA-N 1 0 471.569 2.981 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)c1cccc(OC)c1 ZINC000036751144 569780537 /nfs/dbraw/zinc/78/05/37/569780537.db2.gz QGJVULGUTQDODL-NVQXNPDNSA-N 1 0 466.582 2.970 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21 ZINC000037275069 569782083 /nfs/dbraw/zinc/78/20/83/569782083.db2.gz JCWLWOOUUBWVJD-MRXNPFEDSA-N 1 0 489.519 2.798 50 0 JFAARO CCc1cccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCC[NH+](C)C)C(=O)CO3)c1 ZINC000037275282 569782088 /nfs/dbraw/zinc/78/20/88/569782088.db2.gz DFDQYCRRNVIATL-UHFFFAOYSA-N 1 0 467.566 2.694 50 0 JFAARO C[NH+](C)CCN1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037359168 569783778 /nfs/dbraw/zinc/78/37/78/569783778.db2.gz BIIXRZPLVHWRCL-UHFFFAOYSA-N 1 0 474.588 2.947 50 0 JFAARO CCCc1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NCC[NH+]1CCCC1)C(=O)CO2 ZINC000037512566 569792360 /nfs/dbraw/zinc/79/23/60/569792360.db2.gz AKLRAXBEUXUKSL-UHFFFAOYSA-N 1 0 479.577 2.838 50 0 JFAARO Cc1cc(C)cc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCCC2)C(=O)CO3)c1 ZINC000037520074 569792698 /nfs/dbraw/zinc/79/26/98/569792698.db2.gz FQLFRSBAJXVXFS-UHFFFAOYSA-N 1 0 465.550 2.503 50 0 JFAARO COCC(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000037525248 569793397 /nfs/dbraw/zinc/79/33/97/569793397.db2.gz TUHQZECGXPQIQU-UHFFFAOYSA-N 1 0 456.631 2.899 50 0 JFAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C(=O)OC)c(CC(=O)OC)c2C(=O)OC)cc1 ZINC000039978751 569812835 /nfs/dbraw/zinc/81/28/35/569812835.db2.gz XXUULLGSRGSXJO-ZDUSSCGKSA-N 1 0 476.551 2.889 50 0 JFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000040157548 569821662 /nfs/dbraw/zinc/82/16/62/569821662.db2.gz KKHYPIIOIOAHCM-UHFFFAOYSA-N 1 0 451.633 2.868 50 0 JFAARO CC(C)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000040158147 569821889 /nfs/dbraw/zinc/82/18/89/569821889.db2.gz JYFYLCNYYDTVES-OAHLLOKOSA-N 1 0 478.478 2.854 50 0 JFAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[N@@H+]3CCCC[C@H]3C)cc21 ZINC000040450364 569828386 /nfs/dbraw/zinc/82/83/86/569828386.db2.gz XXASQCLVGKNBEM-CQSZACIVSA-N 1 0 458.422 2.901 50 0 JFAARO C[C@H](CCNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1)[NH+]1CCCCCC1 ZINC000040455279 569829549 /nfs/dbraw/zinc/82/95/49/569829549.db2.gz DOBOKJAPBHBZDF-GOSISDBHSA-N 1 0 450.543 2.726 50 0 JFAARO CS(=O)(=O)Nc1ccc2oc(C[N@@H+]3CCc4ccc(NS(C)(=O)=O)cc4CC3)cc2c1 ZINC000040791570 569834741 /nfs/dbraw/zinc/83/47/41/569834741.db2.gz AIXIFXRQFBLTQY-UHFFFAOYSA-N 1 0 463.581 2.777 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@H](O)COC ZINC000105004333 569849661 /nfs/dbraw/zinc/84/96/61/569849661.db2.gz GSAAFICXRBMXLQ-GHTZIAJQSA-N 1 0 480.602 2.738 50 0 JFAARO COc1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000049611720 569849823 /nfs/dbraw/zinc/84/98/23/569849823.db2.gz MLYIKHBVCYVNED-ZBFHGGJFSA-N 1 0 485.400 2.917 50 0 JFAARO CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCC[NH+](CC)CC)cn3C2CC2)CC1 ZINC000051364395 569852283 /nfs/dbraw/zinc/85/22/83/569852283.db2.gz CKYJDQQUDAXOFX-UHFFFAOYSA-N 1 0 457.594 2.689 50 0 JFAARO Cc1c[nH]c2ncnc(N3CCC(C[NH3+])(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12 ZINC000142095785 569867518 /nfs/dbraw/zinc/86/75/18/569867518.db2.gz PWPNYABQEOGNNC-UHFFFAOYSA-N 1 0 451.531 2.511 50 0 in-vitro JFAARO O=C1COC2(C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H](NS(=O)(=O)C2CC2)c2ccccc2)CN1C1CC1 ZINC000240122483 570052900 /nfs/dbraw/zinc/05/29/00/570052900.db2.gz WAAGQORWWAYZDX-PPLMLPQLSA-N 1 0 473.639 2.586 50 0 JFAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000244983869 570054456 /nfs/dbraw/zinc/05/44/56/570054456.db2.gz IUSABXVBIWOMSR-DEOSSOPVSA-N 1 0 453.627 2.728 50 0 JFAARO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1 ZINC000245279151 570061397 /nfs/dbraw/zinc/06/13/97/570061397.db2.gz FKRYEOOBZZZMIE-PGRDOPGGSA-N 1 0 460.596 2.733 50 0 JFAARO CN(CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000247919305 570071243 /nfs/dbraw/zinc/07/12/43/570071243.db2.gz BWNBJACJEBNPBA-KNQAVFIVSA-N 1 0 450.366 2.788 50 0 JFAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000249702286 570079004 /nfs/dbraw/zinc/07/90/04/570079004.db2.gz ZAXCYTAEYWYOIT-LKLYCGAKSA-N 1 0 493.585 2.997 50 0 JFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000253413816 570098313 /nfs/dbraw/zinc/09/83/13/570098313.db2.gz VTHDCSIUBNVWHF-AJSBUHFISA-N 1 0 465.598 2.744 50 0 biogenic JFAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253427484 570098784 /nfs/dbraw/zinc/09/87/84/570098784.db2.gz MRAAYLXZVAVKDD-OAQYLSRUSA-N 1 0 484.062 2.890 50 0 JFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000263585182 570170974 /nfs/dbraw/zinc/17/09/74/570170974.db2.gz GAPGMZFVKJTQGF-TUNNFDKTSA-N 1 0 471.598 2.550 50 0 biogenic JFAARO COc1ccc(OC)c(-c2ccc(C(=O)N3CCCC[C@@H]3CO)c(N3CC[NH+](C)CC3)n2)c1 ZINC000299758827 570174326 /nfs/dbraw/zinc/17/43/26/570174326.db2.gz QGUGRFYXJIGRRZ-GOSISDBHSA-N 1 0 454.571 2.505 50 0 JFAARO CC(C)C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000299788449 570176794 /nfs/dbraw/zinc/17/67/94/570176794.db2.gz SHZOJYKCFAVSRP-WIOPSUGQSA-N 1 0 460.638 2.933 50 0 JFAARO Cc1nc2nc(C)c(CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)n2n1 ZINC000004034737 194371020 /nfs/dbraw/zinc/37/10/20/194371020.db2.gz GXWZOOGNJIZESN-UHFFFAOYSA-N 1 0 470.021 2.964 50 0 JFAARO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCC[NH+]4CCCCCC4)ccc3c2=O)cc1 ZINC000004791497 194399762 /nfs/dbraw/zinc/39/97/62/194399762.db2.gz XQRCOZUZJMWDEW-UHFFFAOYSA-N 1 0 464.566 2.743 50 0 JFAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2nn(C)c3c2COc2ccccc2-3)CC1 ZINC000009252144 194635493 /nfs/dbraw/zinc/63/54/93/194635493.db2.gz WCFQHXSORFLGSA-UHFFFAOYSA-N 1 0 461.566 2.930 50 0 JFAARO COc1ccc([C@H](CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)[NH+]2CCCC2)cc1 ZINC000009385583 194731633 /nfs/dbraw/zinc/73/16/33/194731633.db2.gz DUFMHASVZBZOIX-FQEVSTJZSA-N 1 0 454.600 2.967 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2C)CC1 ZINC000012769962 195116935 /nfs/dbraw/zinc/11/69/35/195116935.db2.gz JPSBVDLTFIXOHH-IBGZPJMESA-N 1 0 464.566 2.900 50 0 JFAARO Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C(C)C)cc1 ZINC000012866729 195161666 /nfs/dbraw/zinc/16/16/66/195161666.db2.gz PXFGIZIBJALLNK-DQEYMECFSA-N 1 0 478.637 2.561 50 0 biogenic JFAARO COc1cc2ncn(CC(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OC ZINC000020728417 195208978 /nfs/dbraw/zinc/20/89/78/195208978.db2.gz MXMHXKPDFPIZIO-UHFFFAOYSA-N 1 0 464.566 2.832 50 0 JFAARO COc1cc2nc(CSCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]c(=O)c2cc1OC ZINC000020762193 195218637 /nfs/dbraw/zinc/21/86/37/195218637.db2.gz LCVVTZARYONMQS-MAUKXSAKSA-N 1 0 460.600 2.554 50 0 biogenic JFAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1cccc(OC)c1 ZINC000021071247 195273635 /nfs/dbraw/zinc/27/36/35/195273635.db2.gz KWCPOMDSEWIJNR-KCWPFWIISA-N 1 0 478.593 2.978 50 0 JFAARO CN1c2cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000021087763 195273847 /nfs/dbraw/zinc/27/38/47/195273847.db2.gz AIJIIFRIKOFXQA-VWLOTQADSA-N 1 0 475.637 2.960 50 0 JFAARO C=C1C(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000021913658 195331403 /nfs/dbraw/zinc/33/14/03/195331403.db2.gz VNEXTSRDAJPZTM-UHFFFAOYSA-N 1 0 488.654 2.872 50 0 JFAARO CN1c2cc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021938690 195338087 /nfs/dbraw/zinc/33/80/87/195338087.db2.gz LZHWDCXTIGSQLJ-XMMPIXPASA-N 1 0 461.610 2.570 50 0 JFAARO CC1CC[NH+]([C@H](CNC(=O)NCCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000058171868 195370818 /nfs/dbraw/zinc/37/08/18/195370818.db2.gz HOYGRTTYHNTVME-MRXNPFEDSA-N 1 0 456.659 2.772 50 0 JFAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000058185758 195372582 /nfs/dbraw/zinc/37/25/82/195372582.db2.gz HKLXMICAFUBUPB-UHFFFAOYSA-N 1 0 465.614 2.842 50 0 JFAARO CCCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000021580003 195317088 /nfs/dbraw/zinc/31/70/88/195317088.db2.gz NPXGTKNNZPKULK-UHFFFAOYSA-N 1 0 484.563 2.906 50 0 JFAARO CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033443 519443238 /nfs/dbraw/zinc/44/32/38/519443238.db2.gz MESXQZGPECXULP-UHFFFAOYSA-N 1 0 486.638 2.568 50 0 JFAARO CC(C)CC[C@@]1(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012201433 519688077 /nfs/dbraw/zinc/68/80/77/519688077.db2.gz ULDRBGMICIEPHA-SANMLTNESA-N 1 0 486.613 2.598 50 0 JFAARO CC(C)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2CC[NH+](C)CC2)CC1=O ZINC000014755089 519694813 /nfs/dbraw/zinc/69/48/13/519694813.db2.gz PMISPLGFPGUKGG-FQEVSTJZSA-N 1 0 471.520 2.891 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000033254644 519730161 /nfs/dbraw/zinc/73/01/61/519730161.db2.gz HMAQAQGPDVWBAA-IBGZPJMESA-N 1 0 478.659 2.817 50 0 JFAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H](CC)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064971080 519857931 /nfs/dbraw/zinc/85/79/31/519857931.db2.gz JSXUOHGMMDMWEW-HSZRJFAPSA-N 1 0 493.656 2.684 50 0 JFAARO CCOC[C@H](O)C[N@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309045 520152644 /nfs/dbraw/zinc/15/26/44/520152644.db2.gz AWHYYLSIYFRKSG-OFNKIYASSA-N 1 0 476.639 2.989 50 0 JFAARO CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)ccc1N1CC[NH2+]CC1 ZINC000033121337 520393160 /nfs/dbraw/zinc/39/31/60/520393160.db2.gz QWBKJOJDMXXPIY-UHFFFAOYSA-N 1 0 460.600 2.778 50 0 JFAARO CC[NH+](CC)CCCNC(=O)Cn1nc(C)c2nn(-c3cccc(F)c3)c(-n3cccc3)c2c1=O ZINC000033058098 520612181 /nfs/dbraw/zinc/61/21/81/520612181.db2.gz JZBIEVVCFRJKII-UHFFFAOYSA-N 1 0 479.560 2.669 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033263335 520679903 /nfs/dbraw/zinc/67/99/03/520679903.db2.gz IYSZMZAKJJGWGB-HNNXBMFYSA-N 1 0 493.033 2.754 50 0 JFAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000040107643 520701360 /nfs/dbraw/zinc/70/13/60/520701360.db2.gz YOPALYMAKFRBBI-UHFFFAOYSA-N 1 0 464.566 2.973 50 0 JFAARO CC[NH+](CC)CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cn1 ZINC000040151722 520712919 /nfs/dbraw/zinc/71/29/19/520712919.db2.gz PNBMWLPVAXWNPD-UHFFFAOYSA-N 1 0 469.558 2.543 50 0 JFAARO CCCc1cc(C(=O)N2CCC([C@]3(CCc4ccccc4)NC(=O)N(CC[NH+](C)C)C3=O)CC2)no1 ZINC000014996622 521352573 /nfs/dbraw/zinc/35/25/73/521352573.db2.gz NCGVOHNEFGXTEU-MHZLTWQESA-N 1 0 495.624 2.964 50 0 JFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)c2nn(-c3ccc(Cl)cc3)c(-n3cccc3)c2c1=O ZINC000021647758 521636225 /nfs/dbraw/zinc/63/62/25/521636225.db2.gz QALKQNJTILQUNH-HXUWFJFHSA-N 1 0 493.999 2.935 50 0 JFAARO CCCN1C(=O)c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877802 521702865 /nfs/dbraw/zinc/70/28/65/521702865.db2.gz YSADMMRQHHWGGC-HHHXNRCGSA-N 1 0 498.672 2.657 50 0 JFAARO CCN1C[C@H](C[NH2+]C2CCN(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)CC1=O ZINC000012248049 521729811 /nfs/dbraw/zinc/72/98/11/521729811.db2.gz WDVZBJQJQCKDFI-FQEVSTJZSA-N 1 0 478.593 2.772 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)C3=CCCC3)CC2)C1=O ZINC000014957478 521758467 /nfs/dbraw/zinc/75/84/67/521758467.db2.gz IFBHHDLESBBSCE-SANMLTNESA-N 1 0 452.599 2.820 50 0 JFAARO C[NH+](C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)COc3ccccc3)CC2)C1=O ZINC000014886094 521758700 /nfs/dbraw/zinc/75/87/00/521758700.db2.gz WDEKBEIOFHNJIQ-MUUNZHRXSA-N 1 0 492.620 2.789 50 0 JFAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[N@@H+](C3CCCCC3)C2)nn1 ZINC000014993236 522328775 /nfs/dbraw/zinc/32/87/75/522328775.db2.gz OZWJMMVTZMUKBW-XXBNENTESA-N 1 0 464.570 2.853 50 0 JFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000014753043 523288503 /nfs/dbraw/zinc/28/85/03/523288503.db2.gz STRXNXLFULCBQX-UHFFFAOYSA-N 1 0 464.566 2.852 50 0 JFAARO CCc1c(C(=O)N2CCC[C@@H](C(=O)N(CC)CC)C2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000014979777 523682857 /nfs/dbraw/zinc/68/28/57/523682857.db2.gz IRVJIQFEZHUZKL-OAQYLSRUSA-N 1 0 458.647 2.926 50 0 JFAARO CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000012386564 523841645 /nfs/dbraw/zinc/84/16/45/523841645.db2.gz MHDUBFOVTVZJOY-XMMPIXPASA-N 1 0 450.583 2.722 50 0 JFAARO CCc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000048264476 523884948 /nfs/dbraw/zinc/88/49/48/523884948.db2.gz RTEHBEZMLIYPOR-UHFFFAOYSA-N 1 0 463.644 2.608 50 0 JFAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000033034111 523924652 /nfs/dbraw/zinc/92/46/52/523924652.db2.gz QHDDOISZNFRYPQ-UHFFFAOYSA-N 1 0 474.627 2.571 50 0 JFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C3CCN(c4nccc(C)n4)CC3)CC2)c1 ZINC000065001825 524125770 /nfs/dbraw/zinc/12/57/70/524125770.db2.gz POYAGJXKULWUDO-UHFFFAOYSA-N 1 0 450.631 2.947 50 0 JFAARO COc1ccc(C[C@@H]([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(OC)cc2)cc1 ZINC000016694965 524141065 /nfs/dbraw/zinc/14/10/65/524141065.db2.gz PKFQKEJHDGVLBI-RUZDIDTESA-N 1 0 497.617 2.584 50 0 JFAARO COc1ccc(Cc2nnc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)o2)cc1OC ZINC000020488611 524165516 /nfs/dbraw/zinc/16/55/16/524165516.db2.gz VLEQFAXITZPYMG-UHFFFAOYSA-N 1 0 479.581 2.615 50 0 JFAARO C[C@H](CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000045974456 524302482 /nfs/dbraw/zinc/30/24/82/524302482.db2.gz HVVNEXVJWJJGMH-QGZVFWFLSA-N 1 0 480.428 2.675 50 0 JFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)N(C)C)CC2)cc1 ZINC000033269472 524436139 /nfs/dbraw/zinc/43/61/39/524436139.db2.gz SBUNSPXYOOBEIK-UHFFFAOYSA-N 1 0 472.655 2.945 50 0 JFAARO C[C@@H](CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)[NH+]1CCCCCC1 ZINC000033170019 524497124 /nfs/dbraw/zinc/49/71/24/524497124.db2.gz RMBHMMWBEYRNEF-SFHVURJKSA-N 1 0 475.615 2.906 50 0 JFAARO C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000044892539 524531625 /nfs/dbraw/zinc/53/16/25/524531625.db2.gz SIRIWADAKGECOQ-QFIPXVFZSA-N 1 0 459.594 2.703 50 0 JFAARO COc1ccc(OC)c(CNC(=O)COc2ccc(N3CC[NH+](C4CCCCC4)CC3)nn2)c1 ZINC000014989248 524830849 /nfs/dbraw/zinc/83/08/49/524830849.db2.gz NXFAARITZOXLQC-UHFFFAOYSA-N 1 0 469.586 2.644 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCC[NH+]4CCCCC4)C3)s2)cc1 ZINC000033263260 525259971 /nfs/dbraw/zinc/25/99/71/525259971.db2.gz JJPWNTHWTZOZIH-GOSISDBHSA-N 1 0 484.626 2.553 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCCCC4)C3)s2)cc1 ZINC000033263287 525261425 /nfs/dbraw/zinc/26/14/25/525261425.db2.gz AFDWOIMDBXDYBY-IBGZPJMESA-N 1 0 498.653 2.943 50 0 JFAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794998 525361458 /nfs/dbraw/zinc/36/14/58/525361458.db2.gz DPFRHMWILNSGNX-FQEVSTJZSA-N 1 0 468.417 2.725 50 0 JFAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)cc1C ZINC000045974834 525503175 /nfs/dbraw/zinc/50/31/75/525503175.db2.gz CBHKVCQTUFTWGV-UHFFFAOYSA-N 1 0 480.428 2.689 50 0 JFAARO Cc1c(C(=O)N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)sc2nc[nH]c(=O)c12 ZINC000033073483 525567619 /nfs/dbraw/zinc/56/76/19/525567619.db2.gz QWZHMIJBJTZMCE-UHFFFAOYSA-N 1 0 471.627 2.622 50 0 JFAARO COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NC2CCCCC2)N(CC[NH+](C)C)C1=O ZINC000021866016 525602236 /nfs/dbraw/zinc/60/22/36/525602236.db2.gz PRESTDOPTRURQD-AREMUKBSSA-N 1 0 483.613 2.833 50 0 JFAARO Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000021532852 525663087 /nfs/dbraw/zinc/66/30/87/525663087.db2.gz HMLSGOZZVSVMDB-UHFFFAOYSA-N 1 0 466.630 2.654 50 0 JFAARO Cc1ccc(Br)cc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000048325525 525987707 /nfs/dbraw/zinc/98/77/07/525987707.db2.gz GQXYCOCFTCBXLY-UHFFFAOYSA-N 1 0 472.449 2.760 50 0 JFAARO Cc1cc(=O)c(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1F ZINC000043829599 526128575 /nfs/dbraw/zinc/12/85/75/526128575.db2.gz FUEXOOLYQCOZRV-UHFFFAOYSA-N 1 0 463.557 2.618 50 0 JFAARO Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)OCc3ccccc3)ccc12 ZINC000004536853 526149342 /nfs/dbraw/zinc/14/93/42/526149342.db2.gz AHRSQSTVNGDOMZ-LJQANCHMSA-N 1 0 465.510 2.598 50 0 JFAARO COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000014978550 526233968 /nfs/dbraw/zinc/23/39/68/526233968.db2.gz XOJJWKYVRAKRKD-MSOLQXFVSA-N 1 0 476.957 2.988 50 0 JFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999642 526307286 /nfs/dbraw/zinc/30/72/86/526307286.db2.gz PPZULGFYTRVPDN-UHFFFAOYSA-N 1 0 463.625 2.652 50 0 JFAARO O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NCCC[NH+]1CCCC1 ZINC000033024956 526366221 /nfs/dbraw/zinc/36/62/21/526366221.db2.gz RAYQLALTLOJSQD-UHFFFAOYSA-N 1 0 484.626 2.635 50 0 JFAARO O=C(CCC(=O)N1CCOc2ccccc21)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020466310 526382320 /nfs/dbraw/zinc/38/23/20/526382320.db2.gz MHOVRLWCCRIJLN-UHFFFAOYSA-N 1 0 450.583 2.516 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000035459642 526548411 /nfs/dbraw/zinc/54/84/11/526548411.db2.gz CQWRBARQWWVROT-UHFFFAOYSA-N 1 0 474.627 2.863 50 0 JFAARO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000065006905 526575021 /nfs/dbraw/zinc/57/50/21/526575021.db2.gz KLFFOINCHJLPJZ-UHFFFAOYSA-N 1 0 487.645 2.864 50 0 JFAARO O=C(C[NH+]1CCCCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000014996822 526736463 /nfs/dbraw/zinc/73/64/63/526736463.db2.gz TWYHKISRPNXJQZ-SANMLTNESA-N 1 0 495.649 2.857 50 0 JFAARO O=C(CN1c2ccccc2SCCC1=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020379569 526828934 /nfs/dbraw/zinc/82/89/34/526828934.db2.gz WFMXRNZNYKWRAG-UHFFFAOYSA-N 1 0 452.624 2.840 50 0 JFAARO O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H]([NH2+]Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]12 ZINC000014750223 527083480 /nfs/dbraw/zinc/08/34/80/527083480.db2.gz YPTKUTRWBSRGFF-BVSLBCMMSA-N 1 0 484.387 2.979 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000020518150 527089202 /nfs/dbraw/zinc/08/92/02/527089202.db2.gz WUVJXONIDKVXES-CQAGSAPUSA-N 1 0 475.451 2.838 50 0 JFAARO O=S(=O)(c1ccc(Cl)s1)N1CCC2(CC1)NCC[NH+]=C2NCc1cc(F)cc(F)c1 ZINC000065074777 527272820 /nfs/dbraw/zinc/27/28/20/527272820.db2.gz KGDVBKORMWYYOP-UHFFFAOYSA-N 1 0 474.986 2.995 50 0 biogenic JFAARO O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCCC[NH+]1CCCCC1 ZINC000033068590 527349394 /nfs/dbraw/zinc/34/93/94/527349394.db2.gz QVZZJNXTTSMQJW-UHFFFAOYSA-N 1 0 468.985 2.857 50 0 JFAARO O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1 ZINC000033024735 527400094 /nfs/dbraw/zinc/40/00/94/527400094.db2.gz XNXNWOFUHLHDTB-GOSISDBHSA-N 1 0 484.626 2.635 50 0 JFAARO O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCCC3)C2)s1 ZINC000033263449 527400859 /nfs/dbraw/zinc/40/08/59/527400859.db2.gz KPVDOTNUWXGSSX-SFHVURJKSA-N 1 0 484.626 2.635 50 0 JFAARO Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1CCC[NH+]1CCOCC1 ZINC000020391189 527427836 /nfs/dbraw/zinc/42/78/36/527427836.db2.gz NRVYOMDZKFIHNC-UHFFFAOYSA-N 1 0 488.548 2.548 50 0 JFAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC000014732363 527541983 /nfs/dbraw/zinc/54/19/83/527541983.db2.gz MBGFZAHVDLXRLE-FQEVSTJZSA-N 1 0 454.640 2.804 50 0 JFAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000033260467 527610994 /nfs/dbraw/zinc/61/09/94/527610994.db2.gz BSNHIAOVIUIRPW-UHFFFAOYSA-N 1 0 451.550 2.508 50 0 JFAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033060272 527659625 /nfs/dbraw/zinc/65/96/25/527659625.db2.gz FAXBEIIHZDRBNA-UHFFFAOYSA-N 1 0 474.606 3.000 50 0 JFAARO O=C(NCCC[NH+]1CCCCCC1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033170015 527665907 /nfs/dbraw/zinc/66/59/07/527665907.db2.gz GMZLATDGGRFMIR-UHFFFAOYSA-N 1 0 461.588 2.517 50 0 JFAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccncc2)C1 ZINC000014754464 527671030 /nfs/dbraw/zinc/67/10/30/527671030.db2.gz JFDKRWMDSBFYFX-RPLLCQBOSA-N 1 0 492.664 2.926 50 0 JFAARO COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+](C)C)CC(=O)N23)cc1 ZINC000002122742 554056826 /nfs/dbraw/zinc/05/68/26/554056826.db2.gz QYGVZZPWWVRIMW-WIOPSUGQSA-N 1 0 474.561 2.591 50 0 biogenic JFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006134763 554506488 /nfs/dbraw/zinc/50/64/88/554506488.db2.gz SWSKJAIFYNSFLM-UHFFFAOYSA-N 1 0 485.610 2.651 50 0 JFAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCC(=O)N1CCCCC1 ZINC000008829915 554719929 /nfs/dbraw/zinc/71/99/29/554719929.db2.gz COFVVTOPYVBOMC-UHFFFAOYSA-N 1 0 484.435 2.661 50 0 JFAARO CSCC[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008856739 554752840 /nfs/dbraw/zinc/75/28/40/554752840.db2.gz KELIBUNTDYEODG-OAQYLSRUSA-N 1 0 469.655 2.634 50 0 JFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000008931729 554826000 /nfs/dbraw/zinc/82/60/00/554826000.db2.gz KTPBEEZWFQSFOR-KDURUIRLSA-N 1 0 467.614 2.936 50 0 JFAARO CCc1nn(CC(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)c(=O)c2cc3occc3n21 ZINC000008964971 554839216 /nfs/dbraw/zinc/83/92/16/554839216.db2.gz PAJQFXPMEJVFSJ-UHFFFAOYSA-N 1 0 490.608 2.750 50 0 JFAARO Cn1c2nc(NC[C@@H]3CCC[C@@H](C[NH3+])C3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009191450 554963715 /nfs/dbraw/zinc/96/37/15/554963715.db2.gz XPTRYQLYDHVHAQ-ZIAGYGMSSA-N 1 0 479.412 2.966 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000009287689 555061277 /nfs/dbraw/zinc/06/12/77/555061277.db2.gz FISSUTOCSDXFIS-IBGZPJMESA-N 1 0 468.627 2.662 50 0 JFAARO O=S(=O)(c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCOCC1 ZINC000009373110 555134693 /nfs/dbraw/zinc/13/46/93/555134693.db2.gz GHCDGAVRTHRGQC-UHFFFAOYSA-N 1 0 474.652 2.659 50 0 JFAARO COc1ccc([C@H](CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)[NH+]2CCCCC2)cc1 ZINC000009377392 555138877 /nfs/dbraw/zinc/13/88/77/555138877.db2.gz XYHZXXKCNBRCJF-NRFANRHFSA-N 1 0 456.587 2.935 50 0 JFAARO CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)[NH+]1CCCCC1 ZINC000009544843 555336736 /nfs/dbraw/zinc/33/67/36/555336736.db2.gz YBOPHCDYDQDBNI-UHFFFAOYSA-N 1 0 492.564 2.866 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1 ZINC000009640530 555350747 /nfs/dbraw/zinc/35/07/47/555350747.db2.gz CVIIWWOHIKSIMU-UHFFFAOYSA-N 1 0 462.641 2.929 50 0 JFAARO CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 ZINC000009559173 555353232 /nfs/dbraw/zinc/35/32/32/555353232.db2.gz KRLIMPOULZBMDQ-ZEQRLZLVSA-N 1 0 451.567 2.999 50 0 JFAARO O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009666680 555379890 /nfs/dbraw/zinc/37/98/90/555379890.db2.gz TVHAUJKDMLOQET-UHFFFAOYSA-N 1 0 468.985 2.977 50 0 JFAARO O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCCC[NH+]1CCCCC1 ZINC000009588531 555401109 /nfs/dbraw/zinc/40/11/09/555401109.db2.gz NHKHDWUFBFSYDF-UHFFFAOYSA-N 1 0 463.582 2.742 50 0 JFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000009677511 555401903 /nfs/dbraw/zinc/40/19/03/555401903.db2.gz APCBTBKCQGEIQB-IRXDYDNUSA-N 1 0 479.672 2.576 50 0 JFAARO COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCCC[N@H+](C)Cc1ccccc1)c2=O ZINC000009589620 555403003 /nfs/dbraw/zinc/40/30/03/555403003.db2.gz AGZRBELRIRLSQH-UHFFFAOYSA-N 1 0 494.592 2.675 50 0 JFAARO O=C(NCCC[NH+]1CCCCC1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009608265 555435455 /nfs/dbraw/zinc/43/54/55/555435455.db2.gz MXPGILXFCSTACZ-UHFFFAOYSA-N 1 0 479.672 2.768 50 0 JFAARO Cc1ccc(Cn2c(N3CC[NH+](CCCc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000009714268 555442671 /nfs/dbraw/zinc/44/26/71/555442671.db2.gz SNEXWUNRIGCJMI-UHFFFAOYSA-N 1 0 472.593 2.535 50 0 JFAARO O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009617035 555454626 /nfs/dbraw/zinc/45/46/26/555454626.db2.gz GPGSEJLNGNJBAI-UHFFFAOYSA-N 1 0 454.958 2.904 50 0 JFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(I)cc3)CC2)n1 ZINC000009620434 555457048 /nfs/dbraw/zinc/45/70/48/555457048.db2.gz YXHRLIDWDXQWCD-UHFFFAOYSA-N 1 0 451.312 2.784 50 0 JFAARO CCCC[NH+](CCCC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000009725595 555458520 /nfs/dbraw/zinc/45/85/20/555458520.db2.gz KSPACVDSAPOILX-UHFFFAOYSA-N 1 0 478.659 2.904 50 0 JFAARO C[NH+](C)CCCn1c(=O)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2c1CCCC2 ZINC000009747911 555479760 /nfs/dbraw/zinc/47/97/60/555479760.db2.gz PHFOWZCTCXYSAK-UHFFFAOYSA-N 1 0 458.584 2.576 50 0 JFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(C(=O)c4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000019890106 555529401 /nfs/dbraw/zinc/52/94/01/555529401.db2.gz JTZRDJUSYYTOPC-QFIPXVFZSA-N 1 0 451.523 2.620 50 0 JFAARO CCn1cc(C(=O)NCCCCCC(=O)NC[C@@H]2CCC[N@@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013625061 555539005 /nfs/dbraw/zinc/53/90/05/555539005.db2.gz QBOYPXAVCAUWNP-SFHVURJKSA-N 1 0 484.597 2.641 50 0 JFAARO Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1Cl ZINC000010104854 555618166 /nfs/dbraw/zinc/61/81/66/555618166.db2.gz PRGCLZTTYRLPLI-UHFFFAOYSA-N 1 0 456.978 2.886 50 0 JFAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC1(Cc3ccccc3)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000020112579 555649989 /nfs/dbraw/zinc/64/99/89/555649989.db2.gz MMFXTLVJHACNTM-KRWDZBQOSA-N 1 0 465.550 2.902 50 0 biogenic JFAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114996 555652772 /nfs/dbraw/zinc/65/27/72/555652772.db2.gz MNUPTASPFRZHKI-QFIPXVFZSA-N 1 0 483.613 2.712 50 0 JFAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000014067490 555676250 /nfs/dbraw/zinc/67/62/50/555676250.db2.gz IWRGVFRNMDMEOH-KRWDZBQOSA-N 1 0 455.552 2.696 50 0 JFAARO C[NH+](C)Cc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010299583 555676345 /nfs/dbraw/zinc/67/63/45/555676345.db2.gz PBTVMFAYLORYBN-UHFFFAOYSA-N 1 0 461.492 2.738 50 0 JFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014169727 555721560 /nfs/dbraw/zinc/72/15/60/555721560.db2.gz LRVRMYXWAAVCKO-UHFFFAOYSA-N 1 0 499.633 2.639 50 0 JFAARO CC(C)CN(C(=O)C[NH+]1CCC(Cc2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014180788 555723492 /nfs/dbraw/zinc/72/34/92/555723492.db2.gz ACPJEUIJHMPWLT-UHFFFAOYSA-N 1 0 469.630 2.719 50 0 JFAARO Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000020239665 555733985 /nfs/dbraw/zinc/73/39/85/555733985.db2.gz HJWYCSIMWUHHRE-BQYQJAHWSA-N 1 0 476.599 2.749 50 0 JFAARO COc1cccc([C@@H](CNC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)[NH+]2CCCC2)c1 ZINC000014242844 555744879 /nfs/dbraw/zinc/74/48/79/555744879.db2.gz YTFWHYMXIJWTHN-NFBKMPQASA-N 1 0 496.633 2.809 50 0 JFAARO Cn1c(=O)cc(OCCCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000020280423 555751237 /nfs/dbraw/zinc/75/12/37/555751237.db2.gz LTPUYJFGVRIQTJ-UHFFFAOYSA-N 1 0 462.594 2.632 50 0 JFAARO COc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000014249753 555752760 /nfs/dbraw/zinc/75/27/60/555752760.db2.gz QWHVUCTXHNXRRZ-UHFFFAOYSA-N 1 0 493.670 2.564 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288197 555757082 /nfs/dbraw/zinc/75/70/82/555757082.db2.gz RTOVEKFWQRIVHN-REWPJTCUSA-N 1 0 471.671 2.574 50 0 JFAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020288968 555759027 /nfs/dbraw/zinc/75/90/27/555759027.db2.gz FLODDTSRULRJLR-AUSIDOKSSA-N 1 0 489.661 2.713 50 0 JFAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCOCC4)nn32)o1 ZINC000020530558 555797776 /nfs/dbraw/zinc/79/77/76/555797776.db2.gz TZFJEJJUXRADLY-IBGZPJMESA-N 1 0 481.601 2.567 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)CC1 ZINC000011786519 555820008 /nfs/dbraw/zinc/82/00/08/555820008.db2.gz TZDZGYZTYGKLIN-XMMPIXPASA-N 1 0 475.033 2.644 50 0 JFAARO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534046 555822600 /nfs/dbraw/zinc/82/26/00/555822600.db2.gz NMTOTXZRTSLGCU-RCZVLFRGSA-N 1 0 461.610 2.692 50 0 JFAARO C[C@@H]1C[C@@H](C(=O)N2CCC([C@@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)NC(=S)N1 ZINC000011788678 555823354 /nfs/dbraw/zinc/82/33/54/555823354.db2.gz FNDWMHVEAICFHU-VEXUSMLFSA-N 1 0 465.667 2.988 50 0 JFAARO O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020574367 555829159 /nfs/dbraw/zinc/82/91/59/555829159.db2.gz CMQQDJJSMPXUBD-UHFFFAOYSA-N 1 0 461.497 2.971 50 0 JFAARO COc1cccc([C@@]2(CC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011816267 555830850 /nfs/dbraw/zinc/83/08/50/555830850.db2.gz WLVSQZKKFWHGEU-NFQMXDRXSA-N 1 0 481.568 2.799 50 0 JFAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccccc3I)C2=O)cc1OC ZINC000020602018 555842582 /nfs/dbraw/zinc/84/25/82/555842582.db2.gz IDPOKFDJOOYAFI-HNNXBMFYSA-N 1 0 480.302 2.773 50 0 JFAARO C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(C[NH+]3CCCCC3)s1)CC2 ZINC000011872046 555847473 /nfs/dbraw/zinc/84/74/73/555847473.db2.gz BSHGREKBRMYPCM-LJQANCHMSA-N 1 0 486.686 2.988 50 0 JFAARO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000015070548 555870121 /nfs/dbraw/zinc/87/01/21/555870121.db2.gz UMYDJGDALXVCBL-FQEVSTJZSA-N 1 0 462.554 2.977 50 0 JFAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011966253 555871971 /nfs/dbraw/zinc/87/19/71/555871971.db2.gz MYHHAUOVBWMNHP-LJQANCHMSA-N 1 0 461.566 2.918 50 0 JFAARO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996321 555878194 /nfs/dbraw/zinc/87/81/94/555878194.db2.gz CQKLRDWQBZAUOQ-HSZRJFAPSA-N 1 0 462.554 2.630 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccc(OC)cc1 ZINC000011998194 555880793 /nfs/dbraw/zinc/88/07/93/555880793.db2.gz OSBHILYYVKBSNG-NRFANRHFSA-N 1 0 459.568 2.575 50 0 JFAARO CC1CC[NH+]([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccccc2)CC1 ZINC000011998724 555881434 /nfs/dbraw/zinc/88/14/34/555881434.db2.gz BMGJVYSQVWVAOF-JOCHJYFZSA-N 1 0 455.580 2.956 50 0 JFAARO C[NH+](C)Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000015172006 555881821 /nfs/dbraw/zinc/88/18/21/555881821.db2.gz DVPMJIRFAHJLHJ-UHFFFAOYSA-N 1 0 459.490 2.632 50 0 JFAARO COc1ccc(CCN2C(=O)N[C@](C)(C3CC[NH+](Cc4ccc(OCCO)cc4)CC3)C2=O)cc1 ZINC000012000558 555882344 /nfs/dbraw/zinc/88/23/44/555882344.db2.gz GUAHJFNMCYVCMK-HHHXNRCGSA-N 1 0 481.593 2.832 50 0 JFAARO COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCC(C)(C)C[NH+](C)C)c3C)n2)c1 ZINC000012039298 555892018 /nfs/dbraw/zinc/89/20/18/555892018.db2.gz QAASMIPNAPRHRY-UHFFFAOYSA-N 1 0 452.559 2.973 50 0 JFAARO Cc1csc([C@@H](C)[NH2+]C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)n1 ZINC000012159371 555930037 /nfs/dbraw/zinc/93/00/37/555930037.db2.gz GHBNOSNAWDGJHQ-LJQANCHMSA-N 1 0 457.644 2.833 50 0 JFAARO CC[NH+](CC)CCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 ZINC000012160886 555930956 /nfs/dbraw/zinc/93/09/56/555930956.db2.gz JODPTEYNBXMKBV-UHFFFAOYSA-N 1 0 477.609 2.894 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677525 555941560 /nfs/dbraw/zinc/94/15/60/555941560.db2.gz OQBDEFOCPLMGHU-UHFFFAOYSA-N 1 0 463.557 2.814 50 0 JFAARO O=C(CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000022912372 555968018 /nfs/dbraw/zinc/96/80/18/555968018.db2.gz GURWYTJEDVYLLI-UHFFFAOYSA-N 1 0 470.621 2.923 50 0 JFAARO CC[NH+]1CCC(NC(=O)CN2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC000022926372 555977909 /nfs/dbraw/zinc/97/79/09/555977909.db2.gz KNEPHLREYCKJRO-UHFFFAOYSA-N 1 0 489.970 2.515 50 0 JFAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccc4c(c2)OCCO4)CC3)CC1 ZINC000012451016 555980769 /nfs/dbraw/zinc/98/07/69/555980769.db2.gz NHGIQOCPDUXMCB-FQEVSTJZSA-N 1 0 457.571 2.797 50 0 JFAARO C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2S1 ZINC000022937281 555990306 /nfs/dbraw/zinc/99/03/06/555990306.db2.gz WCALQVDGJUZYHF-LJQANCHMSA-N 1 0 488.679 2.996 50 0 JFAARO CN1c2ccc(S(=O)(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)cc2C(C)(C)C1=O ZINC000022938131 555991072 /nfs/dbraw/zinc/99/10/72/555991072.db2.gz HKCAKXBWWNKSOC-UHFFFAOYSA-N 1 0 462.660 2.559 50 0 JFAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@H+](C)Cc4ccccc4)C3)ccc21 ZINC000015784493 556003421 /nfs/dbraw/zinc/00/34/21/556003421.db2.gz JTTJVXZFHZWTEH-JOCHJYFZSA-N 1 0 468.623 2.827 50 0 JFAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc1=O)CCC2 ZINC000015823743 556012381 /nfs/dbraw/zinc/01/23/81/556012381.db2.gz LYXMEPBVFIROKA-UHFFFAOYSA-N 1 0 456.490 2.923 50 0 JFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)c(C)c2)CC1 ZINC000023186822 556029833 /nfs/dbraw/zinc/02/98/33/556029833.db2.gz SPGBVEOQVNJADE-HHHXNRCGSA-N 1 0 475.593 2.859 50 0 JFAARO CC(C)c1ccc(C[NH+]2CCN(Cn3nc(C[C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 ZINC000023254237 556035572 /nfs/dbraw/zinc/03/55/72/556035572.db2.gz NDYPXSFPAPTTGW-HXUWFJFHSA-N 1 0 477.700 2.827 50 0 JFAARO COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2)c1 ZINC000023318285 556040549 /nfs/dbraw/zinc/04/05/49/556040549.db2.gz PWGPQEBWKIIQKR-UHFFFAOYSA-N 1 0 489.576 2.790 50 0 JFAARO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000012567130 556065980 /nfs/dbraw/zinc/06/59/80/556065980.db2.gz CZJXQVQXNABVMD-KRWDZBQOSA-N 1 0 461.584 2.995 50 0 JFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000015933648 556071865 /nfs/dbraw/zinc/07/18/65/556071865.db2.gz CQKOQFRQZQEMNE-QFIPXVFZSA-N 1 0 475.611 2.716 50 0 JFAARO COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000012592278 556087938 /nfs/dbraw/zinc/08/79/38/556087938.db2.gz WGYLYJRYTCNUCK-UHFFFAOYSA-N 1 0 487.560 2.674 50 0 JFAARO CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000012594116 556089174 /nfs/dbraw/zinc/08/91/74/556089174.db2.gz MTFIHIQBNXVOII-UHFFFAOYSA-N 1 0 458.628 2.919 50 0 JFAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015957780 556089573 /nfs/dbraw/zinc/08/95/73/556089573.db2.gz FQQVGIIOMJKENQ-GIRPNKPCSA-N 1 0 453.498 2.868 50 0 biogenic JFAARO CCc1ccc2c(c1)[C@@]1([NH2+][C@H](CCSC)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959219 556091044 /nfs/dbraw/zinc/09/10/44/556091044.db2.gz QLIBMHACSRMFAV-CQAGSAPUSA-N 1 0 463.603 2.965 50 0 biogenic JFAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000015970377 556096310 /nfs/dbraw/zinc/09/63/10/556096310.db2.gz VZWNONRVGYQGSA-MSZDEVHKSA-N 1 0 492.963 2.821 50 0 biogenic JFAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016012961 556111713 /nfs/dbraw/zinc/11/17/13/556111713.db2.gz TZVJECOHDLDMLO-LAWREARLSA-N 1 0 471.488 2.695 50 0 JFAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021824 556113974 /nfs/dbraw/zinc/11/39/74/556113974.db2.gz PQDAMNOGOAJFQD-QUIZSENMSA-N 1 0 485.515 2.737 50 0 JFAARO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023990176 556114449 /nfs/dbraw/zinc/11/44/49/556114449.db2.gz VZXXWVRKJQHEDY-LJQANCHMSA-N 1 0 478.618 2.583 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024811 556115439 /nfs/dbraw/zinc/11/54/39/556115439.db2.gz FUUWESJRHWQYMX-FDGPYGQJSA-N 1 0 453.926 2.809 50 0 JFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016025126 556115920 /nfs/dbraw/zinc/11/59/20/556115920.db2.gz KMFKLIKUWOSGJH-FDGPYGQJSA-N 1 0 498.377 2.918 50 0 JFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016025144 556116039 /nfs/dbraw/zinc/11/60/39/556116039.db2.gz QLMIIQZZDXGISD-YYQBIWNASA-N 1 0 466.401 2.721 50 0 JFAARO O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086297 556121051 /nfs/dbraw/zinc/12/10/51/556121051.db2.gz YJQIFQUYRQWOJY-UHFFFAOYSA-N 1 0 456.612 2.928 50 0 JFAARO COc1ccccc1[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)[NH+]1CCCC1 ZINC000024550354 556135789 /nfs/dbraw/zinc/13/57/89/556135789.db2.gz ZHSIKAQPGCWJJE-PXNSSMCTSA-N 1 0 451.523 2.730 50 0 JFAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000024750924 556149406 /nfs/dbraw/zinc/14/94/06/556149406.db2.gz IDARZKYYOMZIJW-MRXNPFEDSA-N 1 0 462.622 2.927 50 0 JFAARO COc1ccc([C@@H](CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)[NH+]2CCCC2)cc1 ZINC000012936280 556151139 /nfs/dbraw/zinc/15/11/39/556151139.db2.gz MPVPMNHTSSGAAB-HSZRJFAPSA-N 1 0 496.633 2.809 50 0 JFAARO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000012993056 556185137 /nfs/dbraw/zinc/18/51/37/556185137.db2.gz UBJOALHRPPZZIW-MRXNPFEDSA-N 1 0 467.522 2.714 50 0 JFAARO CC[NH+](CC)[C@@H](CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl ZINC000012995675 556188410 /nfs/dbraw/zinc/18/84/10/556188410.db2.gz FJDOTOWXJZAKCA-IBGZPJMESA-N 1 0 463.003 2.968 50 0 JFAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1cccs1 ZINC000025385407 556210969 /nfs/dbraw/zinc/21/09/69/556210969.db2.gz FBWCRFDBTDFKOO-IBGZPJMESA-N 1 0 487.603 2.988 50 0 JFAARO CC(C)(CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025463437 556217312 /nfs/dbraw/zinc/21/73/12/556217312.db2.gz GKBCULAFVTYECX-JOCHJYFZSA-N 1 0 471.623 2.711 50 0 JFAARO CCOc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC(F)F ZINC000017317535 556258669 /nfs/dbraw/zinc/25/86/69/556258669.db2.gz OJZPNLHWGVFOOX-UHFFFAOYSA-N 1 0 456.511 2.997 50 0 JFAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCNc3ccc(S(=O)(=O)CC)cc3)C2=O)cc1 ZINC000018265621 556317679 /nfs/dbraw/zinc/31/76/79/556317679.db2.gz VDCZKNKYGSOCFS-NRFANRHFSA-N 1 0 459.568 2.603 50 0 JFAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000013115580 556322769 /nfs/dbraw/zinc/32/27/69/556322769.db2.gz ZMPKBVRJMGQVAN-LVCYWYKZSA-N 1 0 461.584 2.644 50 0 JFAARO CN1C(=O)N(C)C(=O)C(Cc2cccc3ccccc32)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000019703134 556360667 /nfs/dbraw/zinc/36/06/67/556360667.db2.gz PANYQTXFSOHBDO-KNQAVFIVSA-N 1 0 498.583 2.700 50 0 biogenic JFAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)CC1 ZINC000032504837 556438897 /nfs/dbraw/zinc/43/88/97/556438897.db2.gz IMBQVYFACIUAFF-UHFFFAOYSA-N 1 0 450.539 2.713 50 0 JFAARO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C3Cc4ccccc4C3)C2)cc1 ZINC000032516095 556443900 /nfs/dbraw/zinc/44/39/00/556443900.db2.gz OFYNJCUUUHKDAA-BDYUSTAISA-N 1 0 484.600 2.885 50 0 JFAARO O=S(=O)(c1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1)N1CCOCC1 ZINC000032806435 556498029 /nfs/dbraw/zinc/49/80/29/556498029.db2.gz QKZRGYKJMUZVIM-UHFFFAOYSA-N 1 0 450.992 2.832 50 0 JFAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032916680 556541037 /nfs/dbraw/zinc/54/10/37/556541037.db2.gz RXITYGCQYYOARF-NRFANRHFSA-N 1 0 470.639 2.802 50 0 JFAARO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000032931446 556546383 /nfs/dbraw/zinc/54/63/83/556546383.db2.gz IBLNARIJEJOYDV-YJBOKZPZSA-N 1 0 460.438 2.743 50 0 JFAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595761 562944102 /nfs/dbraw/zinc/94/41/02/562944102.db2.gz QNARXVIJNWXBHM-QGZVFWFLSA-N 1 0 467.661 2.720 50 0 JFAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000015856100 563011714 /nfs/dbraw/zinc/01/17/14/563011714.db2.gz FYLQHDCOXKWBNJ-UHFFFAOYSA-N 1 0 451.567 2.980 50 0 JFAARO CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc1-2 ZINC000053119602 563205036 /nfs/dbraw/zinc/20/50/36/563205036.db2.gz RXZMYLDMFYNEIM-UHFFFAOYSA-N 1 0 460.586 2.566 50 0 in-man JFAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 ZINC000056952778 569593422 /nfs/dbraw/zinc/59/34/22/569593422.db2.gz ULEODZILXRJTNT-UHFFFAOYSA-N 1 0 478.984 2.756 50 0 JFAARO O=C(CCc1ccccc1)NCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000056965556 569593737 /nfs/dbraw/zinc/59/37/37/569593737.db2.gz FCCQVJCSKIBJCW-UHFFFAOYSA-N 1 0 469.593 2.898 50 0 JFAARO COc1ccc(NC(=O)[C@H]2C[C@H](CCC(N)=O)[NH2+][C@@]23c2cc(Cl)cc(C)c2NC3=O)cc1 ZINC000057142640 569594586 /nfs/dbraw/zinc/59/45/86/569594586.db2.gz DNDWTOVLINBWLH-HOSQHVHZSA-N 1 0 456.930 2.687 50 0 JFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414520 569599879 /nfs/dbraw/zinc/59/98/79/569599879.db2.gz XXRMFDNFIQNRJU-XMMPIXPASA-N 1 0 486.613 2.825 50 0 JFAARO O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032967417 569603407 /nfs/dbraw/zinc/60/34/07/569603407.db2.gz DMHOELNMJBPNJB-UHFFFAOYSA-N 1 0 497.967 2.788 50 0 JFAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000062569335 569611279 /nfs/dbraw/zinc/61/12/79/569611279.db2.gz VSJWSSPGJPTLJE-UHFFFAOYSA-N 1 0 492.026 2.956 50 0 JFAARO Cc1nnc2ccc(N3CCC(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)CC3)nn12 ZINC000033010023 569616464 /nfs/dbraw/zinc/61/64/64/569616464.db2.gz PPMZMPGWAHEHQR-UHFFFAOYSA-N 1 0 490.656 2.594 50 0 JFAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)s2)cc1 ZINC000033024521 569619965 /nfs/dbraw/zinc/61/99/65/569619965.db2.gz AXCLWVIBPVEJDE-UHFFFAOYSA-N 1 0 484.626 2.553 50 0 JFAARO Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCCC[NH+]4CCCCCC4)n3)n2)cc1 ZINC000033170056 569621783 /nfs/dbraw/zinc/62/17/83/569621783.db2.gz ZKTYLCQUWWUVAX-UHFFFAOYSA-N 1 0 450.543 2.646 50 0 JFAARO Cc1nn(C)c2c1ccnc2N1CCC(C(=O)NCCN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000033299152 569622528 /nfs/dbraw/zinc/62/25/28/569622528.db2.gz BGYUVBUUUZYKAL-UHFFFAOYSA-N 1 0 467.662 2.560 50 0 JFAARO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000064892126 569644056 /nfs/dbraw/zinc/64/40/56/569644056.db2.gz RIXUOGAZPXCGJE-HXUWFJFHSA-N 1 0 477.609 2.702 50 0 JFAARO CCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025260 569650478 /nfs/dbraw/zinc/65/04/78/569650478.db2.gz GWTCPLZAQBOCRE-UHFFFAOYSA-N 1 0 459.616 2.945 50 0 JFAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@@H]3C)c2)cc1C ZINC000065025242 569650522 /nfs/dbraw/zinc/65/05/22/569650522.db2.gz WKJDMLZVKMSJNE-IBGZPJMESA-N 1 0 471.627 2.923 50 0 JFAARO CCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(CCC)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025306 569650742 /nfs/dbraw/zinc/65/07/42/569650742.db2.gz UJIATIZGZOEUNF-UHFFFAOYSA-N 1 0 459.616 2.774 50 0 JFAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000065061510 569655452 /nfs/dbraw/zinc/65/54/52/569655452.db2.gz WBIJZNIMSKFOCD-GOSISDBHSA-N 1 0 476.643 2.967 50 0 JFAARO CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cccc(OC)c2)cc1 ZINC000065074635 569657304 /nfs/dbraw/zinc/65/73/04/569657304.db2.gz ZUAZNSGNDIFBCF-UHFFFAOYSA-N 1 0 470.639 2.963 50 0 biogenic JFAARO COc1ccccc1CNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000065074782 569657404 /nfs/dbraw/zinc/65/74/04/569657404.db2.gz ZBPFONDBOISAAV-UHFFFAOYSA-N 1 0 469.032 2.725 50 0 biogenic JFAARO CCN1C(=O)COc2cc(-c3noc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)n3)ccc21 ZINC000065137985 569668658 /nfs/dbraw/zinc/66/86/58/569668658.db2.gz FZUBRSRQXQDOLC-UHFFFAOYSA-N 1 0 461.522 2.876 50 0 JFAARO O=C(NCC[NH+]1CCCCCC1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319252 569673854 /nfs/dbraw/zinc/67/38/54/569673854.db2.gz HOPGWSZYVLLKHW-UHFFFAOYSA-N 1 0 475.615 2.907 50 0 JFAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000065329731 569674901 /nfs/dbraw/zinc/67/49/01/569674901.db2.gz WRLUENRBBIJIJA-UHFFFAOYSA-N 1 0 451.571 2.896 50 0 JFAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1)c1cccc(OC)c1 ZINC000065622591 569676503 /nfs/dbraw/zinc/67/65/03/569676503.db2.gz AIDVFTQHZCKTRP-CQSZACIVSA-N 1 0 490.445 2.980 50 0 JFAARO CCOc1cc([C@H]2NC(=O)NC(CN3CCC([NH+]4CCCCC4)CC3)=C2C(=O)OC)ccc1O ZINC000067285623 569683291 /nfs/dbraw/zinc/68/32/91/569683291.db2.gz AMLWQABIBUYFQP-HSZRJFAPSA-N 1 0 472.586 2.522 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285894 569683407 /nfs/dbraw/zinc/68/34/07/569683407.db2.gz LGKVVQYQNBSDBC-XMMPIXPASA-N 1 0 486.613 2.825 50 0 JFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035375042 569684455 /nfs/dbraw/zinc/68/44/55/569684455.db2.gz HCIOYYUACOXVCD-DFHCSUQFSA-N 1 0 466.401 2.721 50 0 JFAARO Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000067621020 569688678 /nfs/dbraw/zinc/68/86/78/569688678.db2.gz PTHWAOUOJPAECW-UHFFFAOYSA-N 1 0 473.595 2.741 50 0 JFAARO Cn1cc([C@H](CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)[NH+](C)C)c2ccccc21 ZINC000077201002 569705206 /nfs/dbraw/zinc/70/52/06/569705206.db2.gz CTGJBSPVGZZFTR-QHCPKHFHSA-N 1 0 490.651 2.690 50 0 JFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000089845627 569720121 /nfs/dbraw/zinc/72/01/21/569720121.db2.gz JOENGTUSAUNPIX-UHFFFAOYSA-N 1 0 477.531 2.947 50 0 JFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991483 569744429 /nfs/dbraw/zinc/74/44/29/569744429.db2.gz BHYVRJHPCBIQJM-LJQANCHMSA-N 1 0 454.493 2.856 50 0 JFAARO CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(CC[NH+](C)C)C(=O)NC(C)C)c2)cc1 ZINC000036008594 569747877 /nfs/dbraw/zinc/74/78/77/569747877.db2.gz CURSMDQGYUBYDA-UHFFFAOYSA-N 1 0 476.599 2.894 50 0 JFAARO CCc1cc(N2CC[NH+](CC)CC2)nc(SCc2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)n1 ZINC000036038488 569752481 /nfs/dbraw/zinc/75/24/81/569752481.db2.gz KYPHBUZMYZGSII-UHFFFAOYSA-N 1 0 496.681 2.778 50 0 JFAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21 ZINC000036644165 569779653 /nfs/dbraw/zinc/77/96/53/569779653.db2.gz HRDDHJCMCGQPIZ-ROUUACIJSA-N 1 0 476.643 2.656 50 0 JFAARO COc1ccc(C(=O)/N=c2\sc(C)cn2Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1OC ZINC000037435547 569789900 /nfs/dbraw/zinc/78/99/00/569789900.db2.gz ABRBSYFMGRKJCI-RFBIWTDZSA-N 1 0 482.606 2.956 50 0 JFAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)C(C)C)c1 ZINC000040151659 569819936 /nfs/dbraw/zinc/81/99/36/569819936.db2.gz WFMMNHVECBUBIE-HSZRJFAPSA-N 1 0 457.571 2.715 50 0 JFAARO CC[N@H+](CCCNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1)Cc1ccccc1 ZINC000040455239 569829546 /nfs/dbraw/zinc/82/95/46/569829546.db2.gz VIYWBCITWBQQQU-UHFFFAOYSA-N 1 0 472.549 2.984 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)COC ZINC000105003954 569849345 /nfs/dbraw/zinc/84/93/45/569849345.db2.gz WMOXLSGGRHMALN-SIKLNZKXSA-N 1 0 480.602 2.738 50 0 JFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1 ZINC000105265600 569852760 /nfs/dbraw/zinc/85/27/60/569852760.db2.gz FQVLELOTJWUMOB-ACEFXKBSSA-N 1 0 453.587 2.708 50 0 JFAARO COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COC ZINC000169681548 569870701 /nfs/dbraw/zinc/87/07/01/569870701.db2.gz WLLVRQINRMHFKD-NFBKMPQASA-N 1 0 476.639 2.907 50 0 JFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)CC1 ZINC000169759576 569872340 /nfs/dbraw/zinc/87/23/40/569872340.db2.gz NEQXDROINVPUHX-OAQYLSRUSA-N 1 0 471.989 2.754 50 0 JFAARO C[C@H](CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O)[NH+]1CCCC1 ZINC000230073742 570044307 /nfs/dbraw/zinc/04/43/07/570044307.db2.gz QWQJPIHZLNNRIS-OFNKIYASSA-N 1 0 481.641 2.619 50 0 JFAARO CCOc1ccc2ccccc2c1C(=O)NCCN1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000244909741 570054298 /nfs/dbraw/zinc/05/42/98/570054298.db2.gz ATKPQJQJULRIGM-NRFANRHFSA-N 1 0 457.615 2.762 50 0 JFAARO COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397626 570096110 /nfs/dbraw/zinc/09/61/10/570096110.db2.gz BOIAYPLNLVSAMI-OSGXGRJZSA-N 1 0 459.587 2.613 50 0 biogenic JFAARO CCOC(=O)c1ccc(N2C[C@@H](C(=O)N(CCOC)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000263586433 570171807 /nfs/dbraw/zinc/17/18/07/570171807.db2.gz ULLLDNGZZNDCTG-WPFOTENUSA-N 1 0 485.625 2.956 50 0 biogenic JFAARO