smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000019707163 558969205 /nfs/dbraw/zinc/96/92/05/558969205.db2.gz SCNNFKWQCFONDW-LJQANCHMSA-N 2 0 424.549 2.082 40 0 HEABRP O=C(C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000096156848 559100846 /nfs/dbraw/zinc/10/08/46/559100846.db2.gz NAXVLIZTMGWUKP-IBGZPJMESA-N 2 0 413.562 2.388 40 0 HEABRP CC(C)[C@H]([NH3+])C(=O)N1CCC([C@@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000019086282 569345315 /nfs/dbraw/zinc/34/53/15/569345315.db2.gz QKSWRLUEVKNXTK-UXPWSPDFSA-N 2 0 404.530 2.306 40 0 HEABRP CC[NH+]1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccc(OC)c3)CC1)C2=O ZINC000019699539 569347024 /nfs/dbraw/zinc/34/70/24/569347024.db2.gz FDMVTKLTOAPEBR-UHFFFAOYSA-N 2 0 400.523 2.066 40 0 HEABRP Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(Cc4ccccc4)CC3)=N2)c(C)c1 ZINC000014606992 560846688 /nfs/dbraw/zinc/84/66/88/560846688.db2.gz SJAAHZVELDPEST-OAQYLSRUSA-N 2 0 419.529 2.304 40 0 HEABRP CC(C)[NH+](CCNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1)C(C)C ZINC000057773571 568860510 /nfs/dbraw/zinc/86/05/10/568860510.db2.gz GSCMWSQYJKYPDY-XMSQKQJNSA-N 2 0 406.571 2.326 40 0 HEABRP COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH2+]C4CCN(C)CC4)O3)no2)cc1 ZINC000077263339 291207821 /nfs/dbraw/zinc/20/78/21/291207821.db2.gz ZKOSZOKGYSBARL-QNWVGRARSA-N 2 0 415.534 2.485 40 0 biogenic,in-vitro HEABRP CC(C)[C@H]([NH3+])C(=O)N1CCC([C@H]2C[C@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000036734307 557851445 /nfs/dbraw/zinc/85/14/45/557851445.db2.gz QKSWRLUEVKNXTK-DBVUQKKJSA-N 2 0 404.530 2.306 40 0 HEABRP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096055940 559093749 /nfs/dbraw/zinc/09/37/49/559093749.db2.gz UPFLTZIRUOKUSL-REWPJTCUSA-N 2 0 403.567 2.334 40 0 HEABRP Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH+](Cc4cccnc4)CC3)O2)cc1 ZINC000306142507 568904046 /nfs/dbraw/zinc/90/40/46/568904046.db2.gz XBDDGWADJYUSQO-JOCHJYFZSA-N 2 0 408.546 2.372 40 0 HEABRP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000019699628 558966770 /nfs/dbraw/zinc/96/67/70/558966770.db2.gz NUVABSWTDQJJRP-OAQYLSRUSA-N 2 0 410.562 2.490 40 0 HEABRP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C1 ZINC000096156162 559100246 /nfs/dbraw/zinc/10/02/46/559100246.db2.gz ZNOSZEBMGGWHQG-PZJWPPBQSA-N 2 0 418.545 2.495 40 0 HEABRP C[NH+](C)[C@H]1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C1 ZINC000096156161 559100266 /nfs/dbraw/zinc/10/02/66/559100266.db2.gz ZNOSZEBMGGWHQG-CTNGQTDRSA-N 2 0 418.545 2.495 40 0 HEABRP CC(C)[NH+](CCNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1)C(C)C ZINC000057773584 568860614 /nfs/dbraw/zinc/86/06/14/568860614.db2.gz GSCMWSQYJKYPDY-PGRDOPGGSA-N 2 0 406.571 2.326 40 0 HEABRP Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)cc12 ZINC000004133524 560600609 /nfs/dbraw/zinc/60/06/09/560600609.db2.gz MGUKQIMGQPDNEU-UHFFFAOYSA-N 2 0 417.623 2.335 40 0 HEABRP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000019699629 558966673 /nfs/dbraw/zinc/96/66/73/558966673.db2.gz NUVABSWTDQJJRP-NRFANRHFSA-N 2 0 410.562 2.490 40 0 HEABRP C[N@@H+]1CCCN(C(=O)c2ccc3nnc([C@@H]4CC[NH+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267522 559108211 /nfs/dbraw/zinc/10/82/11/559108211.db2.gz ASRIAGHNMDSSGH-HXUWFJFHSA-N 2 0 418.545 2.497 40 0 HEABRP Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004133507 560600508 /nfs/dbraw/zinc/60/05/08/560600508.db2.gz GYSJCGZMBASKGR-UHFFFAOYSA-N 2 0 417.623 2.335 40 0 HEABRP Cc1cc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1C ZINC000004133569 560600635 /nfs/dbraw/zinc/60/06/35/560600635.db2.gz JDXIRETXJKDOOD-UHFFFAOYSA-N 2 0 417.623 2.335 40 0 HEABRP C[NH2+]CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(C(C)(C)C)CC1 ZINC000257234978 568786221 /nfs/dbraw/zinc/78/62/21/568786221.db2.gz GVVZEROZMDQPPM-WKDRNLAYSA-N 2 0 421.557 2.169 40 0 HEABRP CC(C)(C)C1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CC[NH3+])CC1 ZINC000257269359 568795399 /nfs/dbraw/zinc/79/53/99/568795399.db2.gz MPQJNQPEGOIODB-WKDRNLAYSA-N 2 0 421.557 2.298 40 0 HEABRP CCN1CC[C@@]2(C[N@H+](CCOC)CC23CC[NH+](Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036431 559090127 /nfs/dbraw/zinc/09/01/27/559090127.db2.gz ROUGFZIXTBYORB-XMMPIXPASA-N 2 0 415.578 2.478 40 0 HEABRP COc1cc(C[NH2+]C[C@@]2(O)CCN(c3ccccn3)C2)ccc1OCCC[NH+](C)C ZINC000585273939 559118437 /nfs/dbraw/zinc/11/84/37/559118437.db2.gz TZXPHMDEVWFKSJ-QHCPKHFHSA-N 2 0 414.550 2.152 40 0 HEABRP CC(C)[NH+](CCNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1)C(C)C ZINC000057773579 568860624 /nfs/dbraw/zinc/86/06/24/568860624.db2.gz GSCMWSQYJKYPDY-AVRDEDQJSA-N 2 0 406.571 2.326 40 0 HEABRP Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH+](Cc4cccnc4)CC3)O2)cc1 ZINC000306142508 568904015 /nfs/dbraw/zinc/90/40/15/568904015.db2.gz XBDDGWADJYUSQO-QFIPXVFZSA-N 2 0 408.546 2.372 40 0 HEABRP C[NH+](C)CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585281799 559119548 /nfs/dbraw/zinc/11/95/48/559119548.db2.gz AURULTCFCDDOEF-GOTSBHOMSA-N 2 0 418.509 2.143 40 0 HEABRP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257229547 568784783 /nfs/dbraw/zinc/78/47/83/568784783.db2.gz FYMITIGTWRCCMA-QHCPKHFHSA-N 2 0 409.534 2.094 40 0 HEABRP COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000225423095 291206621 /nfs/dbraw/zinc/20/66/21/291206621.db2.gz GELBFIRKHSLSMG-GOSISDBHSA-N 3 0 408.612 2.132 40 0 biogenic,in-vitro HEABRP CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CC[NH+](Cc2cnn(C)c2)CC3)C1=O ZINC000096036461 559090205 /nfs/dbraw/zinc/09/02/05/559090205.db2.gz CSGLTHMSTJTJHX-XMMPIXPASA-N 2 0 422.577 2.152 40 0 HEABRP CC[NH+]1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccc(OC)cc3)CC1)C2=O ZINC000019699487 569346957 /nfs/dbraw/zinc/34/69/57/569346957.db2.gz OJGLQWQTMFWRFT-UHFFFAOYSA-N 2 0 400.523 2.066 40 0 HEABRP Cc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004161986 560602057 /nfs/dbraw/zinc/60/20/57/560602057.db2.gz DVDGXFRTKLOHFP-UHFFFAOYSA-N 2 0 417.623 2.416 40 0 HEABRP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257229546 568784762 /nfs/dbraw/zinc/78/47/62/568784762.db2.gz FYMITIGTWRCCMA-HSZRJFAPSA-N 2 0 409.534 2.094 40 0 HEABRP CCOc1ccc(C[NH+]2CCC(N3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)cc1 ZINC000019699479 569346945 /nfs/dbraw/zinc/34/69/45/569346945.db2.gz IRTHYVALKNPJSF-UHFFFAOYSA-N 2 0 400.523 2.066 40 0 HEABRP O=C(C[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000096156847 559100840 /nfs/dbraw/zinc/10/08/40/559100840.db2.gz NAXVLIZTMGWUKP-LJQANCHMSA-N 2 0 413.562 2.388 40 0 HEABRP Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004133482 560600523 /nfs/dbraw/zinc/60/05/23/560600523.db2.gz KGEFHTOILZPXIC-UHFFFAOYSA-N 2 0 403.596 2.026 40 0 HEABRP C[NH2+]CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1[NH+]1CCC(C(C)(C)C)CC1 ZINC000257222283 568782734 /nfs/dbraw/zinc/78/27/34/568782734.db2.gz DSRUDZMWAIVUIL-IVOMFYJKSA-N 2 0 421.557 2.169 40 0 HEABRP Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC3)n2)s1 ZINC000585263360 559111953 /nfs/dbraw/zinc/11/19/53/559111953.db2.gz DUVILJPHNDHRIY-INIZCTEOSA-N 2 0 417.583 2.456 40 0 HEABRP Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004133461 560600504 /nfs/dbraw/zinc/60/05/04/560600504.db2.gz KCGXXMZCEDOVMO-UHFFFAOYSA-N 2 0 403.596 2.026 40 0 HEABRP Cc1ccc(C[NH+]2CCC3(CCc4nnc(C(=O)NCC[NH+](C)C)n4C3)CC2)s1 ZINC000306131727 568893888 /nfs/dbraw/zinc/89/38/88/568893888.db2.gz KNWFEJULSBQCLH-UHFFFAOYSA-N 2 0 416.595 2.168 40 0 HEABRP Cn1nc(-c2ccccn2)cc1C[NH+]1CCC(NC(=O)C[NH+]2CCCCCC2)CC1 ZINC000019288951 558861797 /nfs/dbraw/zinc/86/17/97/558861797.db2.gz RPYJQKZZDAXTHO-UHFFFAOYSA-N 2 0 410.566 2.439 40 0 HEABRP CCc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCN(Cc3ccccc3)CC2)=N1 ZINC000014606975 560846665 /nfs/dbraw/zinc/84/66/65/560846665.db2.gz UJDSASIFJBOSNP-NRFANRHFSA-N 2 0 419.529 2.250 40 0 HEABRP CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1cccc(OCC[NH+](C)C)c1)C2 ZINC000019707161 558969254 /nfs/dbraw/zinc/96/92/54/558969254.db2.gz SCNNFKWQCFONDW-IBGZPJMESA-N 2 0 424.549 2.082 40 0 HEABRP CCOc1ccc(C[NH+]2CCC(N3C(=O)NC4(CC[NH+](CC)CC4)C3=O)CC2)cc1 ZINC000019699540 569347039 /nfs/dbraw/zinc/34/70/39/569347039.db2.gz AIYXPXDNIWZQLX-UHFFFAOYSA-N 2 0 414.550 2.456 40 0 HEABRP CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CC[NH+](Cc2cnn(C)c2)CC3)C1=O ZINC000096036460 559090273 /nfs/dbraw/zinc/09/02/73/559090273.db2.gz CSGLTHMSTJTJHX-DEOSSOPVSA-N 2 0 422.577 2.152 40 0 HEABRP CC(C)(C)C1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)CC[NH3+])CC1 ZINC000257272925 568796336 /nfs/dbraw/zinc/79/63/36/568796336.db2.gz NEKRCVYQGIKPPG-IVOMFYJKSA-N 2 0 421.557 2.298 40 0 HEABRP CC(C)[C@H]([NH3+])C(=O)N1CCC([C@@H]2C[C@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000036734303 557851427 /nfs/dbraw/zinc/85/14/27/557851427.db2.gz QKSWRLUEVKNXTK-VDGAXYAQSA-N 2 0 404.530 2.306 40 0 HEABRP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C1 ZINC000096156160 559100233 /nfs/dbraw/zinc/10/02/33/559100233.db2.gz ZNOSZEBMGGWHQG-TZIWHRDSSA-N 2 0 418.545 2.495 40 0 HEABRP CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000306141358 568903067 /nfs/dbraw/zinc/90/30/67/568903067.db2.gz VTAWNOJXILTURM-JOCHJYFZSA-N 2 0 408.546 2.405 40 0 HEABRP NC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=[NH2+])cc3)c(N)c2)cc1 ZINC000004821857 557603262 /nfs/dbraw/zinc/60/32/62/557603262.db2.gz YCLRDIWATONCSX-UHFFFAOYSA-N 2 0 415.457 2.342 40 0 HEABRP CCN1CC[C@]2(C[N@H+](CCOC)CC23CC[NH+](Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036430 559090168 /nfs/dbraw/zinc/09/01/68/559090168.db2.gz ROUGFZIXTBYORB-DEOSSOPVSA-N 2 0 415.578 2.478 40 0 HEABRP NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257232055 559283937 /nfs/dbraw/zinc/28/39/37/559283937.db2.gz GJGHYJGNMQBSSA-HSZRJFAPSA-N 2 0 422.573 2.333 40 0 HEABRP CC(C)[NH+](CCNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1)C(C)C ZINC000057773567 568860513 /nfs/dbraw/zinc/86/05/13/568860513.db2.gz GSCMWSQYJKYPDY-GCJKJVERSA-N 2 0 406.571 2.326 40 0 HEABRP C[NH+](C)CCCNC(=O)CSc1nc2ccccc2n1CC(=O)CCC[NH+](C)C ZINC000005333804 557645329 /nfs/dbraw/zinc/64/53/29/557645329.db2.gz DUQAJZYUNAWNGQ-UHFFFAOYSA-N 2 0 419.595 2.107 40 0 HEABRP C[NH+](C)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000012231865 558358048 /nfs/dbraw/zinc/35/80/48/558358048.db2.gz LMUGFCMEFJWEFP-RDPSFJRHSA-N 2 0 406.530 2.215 40 0 HEABRP C[N@@H+]1CCCN(C(=O)c2ccc3nnc([C@H]4CC[NH+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267523 559108245 /nfs/dbraw/zinc/10/82/45/559108245.db2.gz ASRIAGHNMDSSGH-FQEVSTJZSA-N 2 0 418.545 2.497 40 0 HEABRP C[NH+](C)CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3C[N@H+](CC(N)=O)CC[C@H]3O[C@@H]21 ZINC000257342246 568816859 /nfs/dbraw/zinc/81/68/59/568816859.db2.gz ZNTJLMKBQDQGGF-FLTJSSMESA-N 2 0 417.550 2.051 40 0 HEABRP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cc(-c4ccccn4)nn3C)CC2)CC1 ZINC000019496883 558895692 /nfs/dbraw/zinc/89/56/92/558895692.db2.gz GGBXNUJBNLOXMJ-UHFFFAOYSA-N 2 0 410.566 2.295 40 0 HEABRP COc1ccc(C[N@H+](C)[C@H]2CN(Cc3ccc(OCC[NH+](C)C)cc3)C[C@@H]2O)cc1 ZINC000585270887 559116471 /nfs/dbraw/zinc/11/64/71/559116471.db2.gz CDTCOEKUAXGLBK-ZEQRLZLVSA-N 2 0 413.562 2.313 40 0 HEABRP O=C(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257234937 568786158 /nfs/dbraw/zinc/78/61/58/568786158.db2.gz GVRGPEHUNCBOJW-YPAWHYETSA-N 2 0 401.551 2.269 40 0 HEABRP CC(C)[C@H]([NH3+])C(=O)N1CCC([C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000019086286 569345264 /nfs/dbraw/zinc/34/52/64/569345264.db2.gz QKSWRLUEVKNXTK-AHRSYUTCSA-N 2 0 404.530 2.306 40 0 HEABRP CCc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CCN(Cc3ccccc3)CC2)=N1 ZINC000014606976 560846719 /nfs/dbraw/zinc/84/67/19/560846719.db2.gz UJDSASIFJBOSNP-OAQYLSRUSA-N 2 0 419.529 2.250 40 0 HEABRP C[NH+](C)[C@H]1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C1 ZINC000096156163 559100207 /nfs/dbraw/zinc/10/02/07/559100207.db2.gz ZNOSZEBMGGWHQG-FPOVZHCZSA-N 2 0 418.545 2.495 40 0 HEABRP COc1cc(C[NH2+]C[C@]2(O)CCN(c3ccccn3)C2)ccc1OCCC[NH+](C)C ZINC000585273937 559118482 /nfs/dbraw/zinc/11/84/82/559118482.db2.gz TZXPHMDEVWFKSJ-HSZRJFAPSA-N 2 0 414.550 2.152 40 0 HEABRP Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1C ZINC000004133498 560600486 /nfs/dbraw/zinc/60/04/86/560600486.db2.gz RDKHEAONSOKJET-UHFFFAOYSA-N 2 0 417.623 2.335 40 0 HEABRP Cc1cccc(OC[C@@]2(O)C[N@H+](Cc3cccc(OCC[NH+](C)C)c3)CC[C@@H]2O)c1 ZINC000585282100 559119892 /nfs/dbraw/zinc/11/98/92/559119892.db2.gz HARDWZFJUAQUAF-ZEQRLZLVSA-N 2 0 414.546 2.312 40 0 HEABRP NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257232056 559283883 /nfs/dbraw/zinc/28/38/83/559283883.db2.gz GJGHYJGNMQBSSA-QHCPKHFHSA-N 2 0 422.573 2.333 40 0 HEABRP CN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000306141359 568902973 /nfs/dbraw/zinc/90/29/73/568902973.db2.gz VTAWNOJXILTURM-QFIPXVFZSA-N 2 0 408.546 2.405 40 0 HEABRP C[NH+](C)CCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1 ZINC000015673570 291204977 /nfs/dbraw/zinc/20/49/77/291204977.db2.gz USXOQLDYXWDRMW-ROUUACIJSA-N 2 0 400.523 2.090 40 0 biogenic,in-vitro HEABRP Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(Cc4ccccc4)CC3)=N2)c(C)c1 ZINC000014606991 560846743 /nfs/dbraw/zinc/84/67/43/560846743.db2.gz SJAAHZVELDPEST-NRFANRHFSA-N 2 0 419.529 2.304 40 0 HEABRP O[C@H]1CC[C@@H](Cc2cc(C[NH+]3CCCCC3)on2)O[C@@H]1C[NH2+]Cc1cccnc1 ZINC000096296051 291213932 /nfs/dbraw/zinc/21/39/32/291213932.db2.gz SLQNGGTZTRSVDP-ILWGZMRPSA-N 2 0 400.523 2.296 40 0 biogenic,in-vitro HEABRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585283012 559120387 /nfs/dbraw/zinc/12/03/87/559120387.db2.gz OOAZYDOLTSVVLF-GOTSBHOMSA-N 2 0 418.509 2.143 40 0 HEABRP