smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(Cc2ccc(C(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000058949042 195386614 /nfs/dbraw/zinc/38/66/14/195386614.db2.gz JHCPSRITAXNCLH-IBGZPJMESA-N 1 0 475.593 4.618 50 5 JJBARO COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000016227478 524162005 /nfs/dbraw/zinc/16/20/05/524162005.db2.gz XBQRQQLHUOLEES-UHFFFAOYSA-N 1 0 475.521 4.709 50 5 JJBARO CN(C)[C@H](C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000009492188 555271432 /nfs/dbraw/zinc/27/14/32/555271432.db2.gz HNFXULIAWRNTKV-DHIUTWEWSA-N 1 0 452.942 4.821 50 5 JJBARO O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009634917 555341050 /nfs/dbraw/zinc/34/10/50/555341050.db2.gz DVFKKZLNDSQVFM-UHFFFAOYSA-N 1 0 453.486 4.618 50 5 JJBARO CCCCOCCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000009561714 555360174 /nfs/dbraw/zinc/36/01/74/555360174.db2.gz DJUXHVLBFJGHKY-HXUWFJFHSA-N 1 0 464.360 4.834 50 5 JJBARO CC(C)[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@H](C(C)(C)C)C2 ZINC000015946879 556083973 /nfs/dbraw/zinc/08/39/73/556083973.db2.gz HJBDOTIDFZXVBW-HNNXBMFYSA-N 1 0 472.611 4.996 50 5 JJBARO C[NH+](C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000035872681 569719562 /nfs/dbraw/zinc/71/95/62/569719562.db2.gz CUIQFFBXDXAULQ-DEOSSOPVSA-N 1 0 488.563 4.937 50 5 JJBARO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035894714 569723031 /nfs/dbraw/zinc/72/30/31/569723031.db2.gz YZRXQBPJRCVTGB-ZCYQVOJMSA-N 1 0 494.954 4.889 50 5 JJBARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C1CC[NH2+]CC1 ZINC000020941334 195255655 /nfs/dbraw/zinc/25/56/55/195255655.db2.gz XXOIJJCDVUENJX-UHFFFAOYSA-N 1 0 457.893 4.601 50 5 JJBARO Cc1c(CCOC(=O)C23C[C@@H]4C[C@@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000013400579 525701518 /nfs/dbraw/zinc/70/15/18/525701518.db2.gz OUPFXMHBJIZEQW-KVEMZPMDSA-N 1 0 455.600 4.993 50 5 JJBARO C[NH+](C)CCCN(C(=O)CSc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000012342178 555954568 /nfs/dbraw/zinc/95/45/68/555954568.db2.gz HDGSUNSXFUYZBG-UHFFFAOYSA-N 1 0 465.000 4.935 50 5 JJBARO CN(C)[C@H](C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565970 556063520 /nfs/dbraw/zinc/06/35/20/556063520.db2.gz PIDSRHNJSNUDBH-DHIUTWEWSA-N 1 0 497.393 4.930 50 5 JJBARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000035726236 569708748 /nfs/dbraw/zinc/70/87/48/569708748.db2.gz KJNZIQLJZHJVKZ-UHFFFAOYSA-N 1 0 499.546 4.981 50 5 JJBARO C[NH+](C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000035872602 569719591 /nfs/dbraw/zinc/71/95/91/569719591.db2.gz JWMJXJLMJZTPOR-DEOSSOPVSA-N 1 0 488.563 4.937 50 5 JJBARO C[NH+](C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000035872603 569719596 /nfs/dbraw/zinc/71/95/96/569719596.db2.gz JWMJXJLMJZTPOR-XMMPIXPASA-N 1 0 488.563 4.937 50 5 JJBARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000009942510 195030159 /nfs/dbraw/zinc/03/01/59/195030159.db2.gz CYZOCLYTSNBHHO-UHFFFAOYSA-N 1 0 465.554 4.748 50 5 JJBARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008834877 520605311 /nfs/dbraw/zinc/60/53/11/520605311.db2.gz SUPNQULYGXMGGW-OAQYLSRUSA-N 1 0 469.925 4.632 50 5 JJBARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016479890 527226641 /nfs/dbraw/zinc/22/66/41/527226641.db2.gz UTOPKWXVSYHRDM-UHFFFAOYSA-N 1 0 450.926 4.823 50 5 JJBARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000020111764 555648959 /nfs/dbraw/zinc/64/89/59/555648959.db2.gz UFZICYSLNXTLDG-RUZDIDTESA-N 1 0 459.502 4.907 50 5 biogenic JJBARO CN(C)[C@@H](C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565971 556063576 /nfs/dbraw/zinc/06/35/76/556063576.db2.gz PIDSRHNJSNUDBH-GOTSBHOMSA-N 1 0 497.393 4.930 50 5 JJBARO COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C[N@@H+]2CCc3ccccc3C2)c1 ZINC000034698619 569647859 /nfs/dbraw/zinc/64/78/59/569647859.db2.gz QVJWKMSGMXTNPA-SQHAQQRYSA-N 1 0 471.557 4.518 50 5 JJBARO CC[NH+](CC)CCCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000035326858 569680932 /nfs/dbraw/zinc/68/09/32/569680932.db2.gz CHDXYEUQIQSTHT-UHFFFAOYSA-N 1 0 495.605 4.768 50 5 JJBARO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000245280325 570061712 /nfs/dbraw/zinc/06/17/12/570061712.db2.gz MVFIAMXODJOTNK-IAPPQJPRSA-N 1 0 470.617 4.941 50 5 JJBARO C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343699 570067346 /nfs/dbraw/zinc/06/73/46/570067346.db2.gz XFKGQACUIQBSCJ-LEOXJPRUSA-N 1 0 476.577 4.597 50 5 JJBARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340259 521106074 /nfs/dbraw/zinc/10/60/74/521106074.db2.gz OTCCBLCJRVBASS-RUZDIDTESA-N 1 0 489.620 4.624 50 5 JJBARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000012371481 525484810 /nfs/dbraw/zinc/48/48/10/525484810.db2.gz HKXBBAHARITPFJ-RUZDIDTESA-N 1 0 459.502 4.907 50 5 JJBARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008834878 554732979 /nfs/dbraw/zinc/73/29/79/554732979.db2.gz SUPNQULYGXMGGW-NRFANRHFSA-N 1 0 469.925 4.632 50 5 JJBARO COc1ccc([C@H](CNc2nn3c(=O)c4c(C)c(C)sc4nc3c3ccccc23)[NH+](C)C)cc1 ZINC000009685047 555413982 /nfs/dbraw/zinc/41/39/82/555413982.db2.gz NICVPYGATRFFPB-NRFANRHFSA-N 1 0 473.602 4.798 50 5 JJBARO CC[NH+]1CCN(c2nn3c(=O)c4c(-c5ccc(Cl)cc5)csc4nc3c3ccccc32)CC1 ZINC000008735707 569602054 /nfs/dbraw/zinc/60/20/54/569602054.db2.gz UJCDXXCDPBPGSD-UHFFFAOYSA-N 1 0 476.005 4.920 50 5 JJBARO C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NC4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102385953 569812816 /nfs/dbraw/zinc/81/28/16/569812816.db2.gz XFKGQACUIQBSCJ-SXSPYAJSSA-N 1 0 476.577 4.597 50 5 JJBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000104119376 569841130 /nfs/dbraw/zinc/84/11/30/569841130.db2.gz RXNRGZURASBQFP-ILBGXUMGSA-N 1 0 479.558 4.692 50 5 JJBARO CC[NH+](CC)CCCNC(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003021390 194208771 /nfs/dbraw/zinc/20/87/71/194208771.db2.gz YQXVXGLFIGAQCZ-UHFFFAOYSA-N 1 0 466.401 4.970 50 5 JJBARO C[N@H+](CCCNC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1)Cc1ccccc1 ZINC000020618195 195189815 /nfs/dbraw/zinc/18/98/15/195189815.db2.gz CCDZHUOUJBLQOG-UHFFFAOYSA-N 1 0 455.587 4.576 50 5 JJBARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000012371480 525486078 /nfs/dbraw/zinc/48/60/78/525486078.db2.gz HKXBBAHARITPFJ-VWLOTQADSA-N 1 0 459.502 4.907 50 5 JJBARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C1CC[NH2+]CC1 ZINC000020575064 555830115 /nfs/dbraw/zinc/83/01/15/555830115.db2.gz DMGCSGDZISCAIM-UHFFFAOYSA-N 1 0 457.893 4.601 50 5 JJBARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000034726001 569652758 /nfs/dbraw/zinc/65/27/58/569652758.db2.gz ZDYSZWLILQIEQW-UHFFFAOYSA-N 1 0 474.561 4.616 50 5 JJBARO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000034725810 569652811 /nfs/dbraw/zinc/65/28/11/569652811.db2.gz HIERLCMGRLEEDM-UHFFFAOYSA-N 1 0 458.562 4.916 50 5 JJBARO Nc1nc(C[N+]2(Cc3nc(N)c4ccccc4n3)CC=C(c3ccccc3)CC2)nc2ccccc12 ZINC000048261453 569845501 /nfs/dbraw/zinc/84/55/01/569845501.db2.gz CQLDFMRPOBQAOU-UHFFFAOYSA-N 1 0 474.592 4.742 50 5 JJBARO C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NC4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343700 570067307 /nfs/dbraw/zinc/06/73/07/570067307.db2.gz XFKGQACUIQBSCJ-YSZBQJHXSA-N 1 0 476.577 4.597 50 5 JJBARO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 ZINC000009891920 195015612 /nfs/dbraw/zinc/01/56/12/195015612.db2.gz NTYAFQMQKICMGZ-UHFFFAOYSA-N 1 0 489.963 4.756 50 5 JJBARO COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1C1CC[NH2+]CC1 ZINC000020320917 525469855 /nfs/dbraw/zinc/46/98/55/525469855.db2.gz QIBMKGYQTUAHJS-UHFFFAOYSA-N 1 0 463.538 4.632 50 5 JJBARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809395 554359362 /nfs/dbraw/zinc/35/93/62/554359362.db2.gz WCPIYMRUUGXZMH-UHFFFAOYSA-N 1 0 453.930 4.731 50 5 JJBARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009730587 555466457 /nfs/dbraw/zinc/46/64/57/555466457.db2.gz VTMALPXYFQHBFL-NDEPHWFRSA-N 1 0 497.599 4.642 50 5 biogenic JJBARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000022203261 555884603 /nfs/dbraw/zinc/88/46/03/555884603.db2.gz RKRJXQLEFHXNRA-UHFFFAOYSA-N 1 0 498.605 4.582 50 5 JJBARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc21 ZINC000012140831 555919888 /nfs/dbraw/zinc/91/98/88/555919888.db2.gz GYXYDLDOOKKSIZ-UHFFFAOYSA-N 1 0 470.576 4.945 50 5 JJBARO Cc1ccccc1C[NH+]1CCN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])CC1 ZINC000023230371 556032716 /nfs/dbraw/zinc/03/27/16/556032716.db2.gz XVGZPBBNJRNVBB-UHFFFAOYSA-N 1 0 454.530 4.530 50 5 JJBARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000096523425 569740834 /nfs/dbraw/zinc/74/08/34/569740834.db2.gz WEXYZVDLFROMLB-UHFFFAOYSA-N 1 0 498.587 4.535 50 5 JJBARO CC(C)c1ccc(-n2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c2C2CC[NH2+]CC2)cc1 ZINC000020941310 195255625 /nfs/dbraw/zinc/25/56/25/195255625.db2.gz HKZMRROEVFVMKO-UHFFFAOYSA-N 1 0 451.502 4.762 50 5 JJBARO COc1ccccc1[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CN(C(=O)C(C)C)C(C)C ZINC000096281801 130028801 /nfs/dbraw/zinc/02/88/01/130028801.db2.gz ZVSUFAZBBWIRMN-GMAHTHKFSA-N 1 0 453.583 4.712 50 5 JJBARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000046007432 523191229 /nfs/dbraw/zinc/19/12/29/523191229.db2.gz DLTYUZOKSKJYFA-UHFFFAOYSA-N 1 0 498.587 4.535 50 5 JJBARO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000008843568 554740665 /nfs/dbraw/zinc/74/06/65/554740665.db2.gz KIPNWELFYJLRIS-JPNWQNGZSA-N 1 0 462.654 4.941 50 5 JJBARO CN(C)[C@H](C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000009492186 555271473 /nfs/dbraw/zinc/27/14/73/555271473.db2.gz HNFXULIAWRNTKV-PKTZIBPZSA-N 1 0 452.942 4.821 50 5 JJBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013140330 555337066 /nfs/dbraw/zinc/33/70/66/555337066.db2.gz RXNRGZURASBQFP-UKILVPOCSA-N 1 0 479.558 4.692 50 5 JJBARO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)cc2s1 ZINC000012140945 555920141 /nfs/dbraw/zinc/92/01/41/555920141.db2.gz PICBRBBPULHEPD-UHFFFAOYSA-N 1 0 463.357 4.566 50 5 JJBARO CC(C)c1ccc(Nc2ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc2[N+](=O)[O-])cc1 ZINC000013038066 556234653 /nfs/dbraw/zinc/23/46/53/556234653.db2.gz RWPCUODALNUQSQ-UHFFFAOYSA-N 1 0 462.616 4.859 50 5 JJBARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc1)Nc1ccc(F)cc1F ZINC000034682101 569643763 /nfs/dbraw/zinc/64/37/63/569643763.db2.gz SYUSRTAMOGDEMD-UHFFFAOYSA-N 1 0 482.491 4.624 50 5 JJBARO C[NH+](C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000035872547 569719478 /nfs/dbraw/zinc/71/94/78/569719478.db2.gz VMZGDNOAVFAZLX-XMMPIXPASA-N 1 0 470.573 4.798 50 5 JJBARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000037554277 569794563 /nfs/dbraw/zinc/79/45/63/569794563.db2.gz FRCOGDGUODBITH-UHFFFAOYSA-N 1 0 462.525 4.747 50 5 JJBARO CC(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4cccc(Cl)c4)cn32)CC1 ZINC000096288045 130031276 /nfs/dbraw/zinc/03/12/76/130031276.db2.gz CHANUEYINHYBTM-UHFFFAOYSA-N 1 0 489.963 4.894 50 5 JJBARO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000008843569 554740687 /nfs/dbraw/zinc/74/06/87/554740687.db2.gz KIPNWELFYJLRIS-SYAXVNJYSA-N 1 0 462.654 4.941 50 5 JJBARO CN(C)[C@@H](C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000009492187 555271467 /nfs/dbraw/zinc/27/14/67/555271467.db2.gz HNFXULIAWRNTKV-XZOQPEGZSA-N 1 0 452.942 4.821 50 5 JJBARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000020111766 555649034 /nfs/dbraw/zinc/64/90/34/555649034.db2.gz UFZICYSLNXTLDG-VWLOTQADSA-N 1 0 459.502 4.907 50 5 biogenic JJBARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015477169 555910527 /nfs/dbraw/zinc/91/05/27/555910527.db2.gz JDOMWHIWYOGURP-NRFANRHFSA-N 1 0 494.514 4.766 50 5 JJBARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015477167 555910535 /nfs/dbraw/zinc/91/05/35/555910535.db2.gz JDOMWHIWYOGURP-OAQYLSRUSA-N 1 0 494.514 4.766 50 5 JJBARO CN(C)[C@H](C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565972 556063653 /nfs/dbraw/zinc/06/36/53/556063653.db2.gz PIDSRHNJSNUDBH-PKTZIBPZSA-N 1 0 497.393 4.930 50 5 JJBARO COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C[N@@H+]2CCc3ccccc3C2)c1 ZINC000034698618 569647849 /nfs/dbraw/zinc/64/78/49/569647849.db2.gz QVJWKMSGMXTNPA-RPLLCQBOSA-N 1 0 471.557 4.518 50 5 JJBARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000037554367 569794591 /nfs/dbraw/zinc/79/45/91/569794591.db2.gz KROYLJBGSMUFIE-UHFFFAOYSA-N 1 0 462.525 4.747 50 5 JJBARO CN(C)[C@@H](C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000012631142 195063375 /nfs/dbraw/zinc/06/33/75/195063375.db2.gz HNFXULIAWRNTKV-GOTSBHOMSA-N 1 0 452.942 4.821 50 5 JJBARO CC[NH+](CC)CCCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccccc1[N+](=O)[O-] ZINC000012411621 520639925 /nfs/dbraw/zinc/63/99/25/520639925.db2.gz TZRFJGSJXUMIAJ-UHFFFAOYSA-N 1 0 495.605 4.768 50 5 JJBARO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)sc2c1CCCC2 ZINC000002840302 554372246 /nfs/dbraw/zinc/37/22/46/554372246.db2.gz CHMKWJWVCGWKPF-LJQANCHMSA-N 1 0 496.589 4.799 50 5 JJBARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009730586 555466310 /nfs/dbraw/zinc/46/63/10/555466310.db2.gz VTMALPXYFQHBFL-MUUNZHRXSA-N 1 0 497.599 4.642 50 5 biogenic JJBARO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095949702 569731304 /nfs/dbraw/zinc/73/13/04/569731304.db2.gz ZIYDOIBKDOKCEW-IBGZPJMESA-N 1 0 478.980 4.982 50 5 JJBARO C[N+](C)(Cc1ccccc1I)Cc1ccccc1I ZINC000096558573 569741027 /nfs/dbraw/zinc/74/10/27/569741027.db2.gz IOQINZPYFJMVNM-UHFFFAOYSA-N 1 0 478.135 4.672 50 5 JJBARO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677678 569868807 /nfs/dbraw/zinc/86/88/07/569868807.db2.gz YZRXQBPJRCVTGB-NOZRDPDXSA-N 1 0 494.954 4.889 50 5 JJBARO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000245280327 570061739 /nfs/dbraw/zinc/06/17/39/570061739.db2.gz MVFIAMXODJOTNK-IXCJQBJRSA-N 1 0 470.617 4.941 50 5 JJBARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000009942815 195030239 /nfs/dbraw/zinc/03/02/39/195030239.db2.gz ILBFKKFGDLJYIA-UHFFFAOYSA-N 1 0 465.554 4.919 50 5 JJBARO C[NH+](C)C(C)(C)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000048289494 524032679 /nfs/dbraw/zinc/03/26/79/524032679.db2.gz UCWKUMINFNOTIF-UHFFFAOYSA-N 1 0 478.373 4.572 50 5 JJBARO Cc1ccc(NS(=O)(=O)c2ccc(NC3CC[NH+](CC(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000012508163 525303073 /nfs/dbraw/zinc/30/30/73/525303073.db2.gz FYWKNWMURYBWOK-UHFFFAOYSA-N 1 0 460.600 4.545 50 5 JJBARO CC[NH+]1CCN(c2nn3c(=O)c4c(-c5ccc(C)cc5)csc4nc3c3ccccc32)CC1 ZINC000008433120 554586712 /nfs/dbraw/zinc/58/67/12/554586712.db2.gz JIMQHGKUYCRKRY-UHFFFAOYSA-N 1 0 455.587 4.575 50 5 JJBARO O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc2)cc1 ZINC000008856569 554752467 /nfs/dbraw/zinc/75/24/67/554752467.db2.gz TWKYKPXALBPVMN-UHFFFAOYSA-N 1 0 497.617 4.662 50 5 JJBARO C[NH+](C)CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010068239 555614351 /nfs/dbraw/zinc/61/43/51/555614351.db2.gz JGWORRHJGYVGBZ-UHFFFAOYSA-N 1 0 498.586 4.789 50 5 JJBARO CCOc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000025521581 556219034 /nfs/dbraw/zinc/21/90/34/556219034.db2.gz RXTHHWSWHGUVDH-UHFFFAOYSA-N 1 0 463.534 4.661 50 5 JJBARO C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000013524114 555486696 /nfs/dbraw/zinc/48/66/96/555486696.db2.gz XFKGQACUIQBSCJ-YFXJRYMSSA-N 1 0 476.577 4.597 50 5 JJBARO C[N@H+](Cc1ccccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CCCCC1 ZINC000012539775 556013139 /nfs/dbraw/zinc/01/31/39/556013139.db2.gz CYEVHVCUCHJCKF-UHFFFAOYSA-N 1 0 468.554 4.571 50 5 JJBARO CC(C)[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@@H](C(C)(C)C)C2 ZINC000015946881 556083990 /nfs/dbraw/zinc/08/39/90/556083990.db2.gz HJBDOTIDFZXVBW-OAHLLOKOSA-N 1 0 472.611 4.996 50 5 JJBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 ZINC000015947037 556084254 /nfs/dbraw/zinc/08/42/54/556084254.db2.gz MKWLSRKFINRYDL-INIZCTEOSA-N 1 0 451.346 4.614 50 5 JJBARO O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 ZINC000030691727 556370259 /nfs/dbraw/zinc/37/02/59/556370259.db2.gz ASMXXROZKSBQIH-VITNCHFBSA-N 1 0 484.663 4.667 50 5 fda JJBARO COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C[N@@H+]2CCc3ccccc3C2)c1 ZINC000034698620 569647835 /nfs/dbraw/zinc/64/78/35/569647835.db2.gz QVJWKMSGMXTNPA-SHQCIBLASA-N 1 0 471.557 4.518 50 5 JJBARO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000034723371 569652498 /nfs/dbraw/zinc/65/24/98/569652498.db2.gz MVFIAMXODJOTNK-XTEPFMGCSA-N 1 0 470.617 4.941 50 5 JJBARO C[NH+](C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000035872683 569719567 /nfs/dbraw/zinc/71/95/67/569719567.db2.gz CUIQFFBXDXAULQ-XMMPIXPASA-N 1 0 488.563 4.937 50 5 JJBARO CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCC[NH3+])c-2cc1C ZINC000101149677 569784677 /nfs/dbraw/zinc/78/46/77/569784677.db2.gz JYKRDROHTXPORS-QLTSDVKISA-N 1 0 456.590 4.862 50 5 JJBARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000020678155 195203082 /nfs/dbraw/zinc/20/30/82/195203082.db2.gz WYOLIYGRCBPFPB-UHFFFAOYSA-N 1 0 498.587 4.535 50 5 JJBARO COc1ccccc1[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CN(C(=O)C(C)C)C(C)C ZINC000096281802 130028853 /nfs/dbraw/zinc/02/88/53/130028853.db2.gz ZVSUFAZBBWIRMN-GGAORHGYSA-N 1 0 453.583 4.712 50 5 JJBARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000016479881 527226339 /nfs/dbraw/zinc/22/63/39/527226339.db2.gz AMGAANXZODORGG-UHFFFAOYSA-N 1 0 450.926 4.823 50 5 JJBARO CC1CC[NH+](Cc2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CC1 ZINC000012528240 555996886 /nfs/dbraw/zinc/99/68/86/555996886.db2.gz WSUJMJPYMUBNMQ-UHFFFAOYSA-N 1 0 453.586 4.703 50 5 JJBARO COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C[N@@H+]2CCc3ccccc3C2)c1 ZINC000034698617 569647843 /nfs/dbraw/zinc/64/78/43/569647843.db2.gz QVJWKMSGMXTNPA-IGKIAQTJSA-N 1 0 471.557 4.518 50 5 JJBARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340258 569763829 /nfs/dbraw/zinc/76/38/29/569763829.db2.gz OTCCBLCJRVBASS-VWLOTQADSA-N 1 0 489.620 4.624 50 5 JJBARO O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000052521502 569852344 /nfs/dbraw/zinc/85/23/44/569852344.db2.gz BVJFKFSYTRIHET-UHFFFAOYSA-N 1 0 492.281 4.899 50 5 JJBARO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000001314613 194083884 /nfs/dbraw/zinc/08/38/84/194083884.db2.gz MCMMNPQWDQQRMU-DEOSSOPVSA-N 1 0 458.905 4.683 50 5 JJBARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000020618194 195189932 /nfs/dbraw/zinc/18/99/32/195189932.db2.gz LOWZRKJLCQMDGA-UHFFFAOYSA-N 1 0 467.598 4.719 50 5 JJBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006174542 554514436 /nfs/dbraw/zinc/51/44/36/554514436.db2.gz RXNRGZURASBQFP-ZCYQVOJMSA-N 1 0 479.558 4.692 50 5 JJBARO CCCCOCCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000009561713 555360286 /nfs/dbraw/zinc/36/02/86/555360286.db2.gz DJUXHVLBFJGHKY-FQEVSTJZSA-N 1 0 464.360 4.834 50 5 JJBARO O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000011740461 555807906 /nfs/dbraw/zinc/80/79/06/555807906.db2.gz NYKOQTHIHGNUAS-UHFFFAOYSA-N 1 0 490.526 4.565 50 5 JJBARO CN(C)[C@@H](C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565969 556063639 /nfs/dbraw/zinc/06/36/39/556063639.db2.gz PIDSRHNJSNUDBH-XZOQPEGZSA-N 1 0 497.393 4.930 50 5 JJBARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000026121597 556249410 /nfs/dbraw/zinc/24/94/10/556249410.db2.gz RGCVIDFHSMRNAU-UHFFFAOYSA-N 1 0 465.554 4.604 50 5 JJBARO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000062590100 569612410 /nfs/dbraw/zinc/61/24/10/569612410.db2.gz XAEVAJXCJSXDLI-UHFFFAOYSA-N 1 0 480.952 4.834 50 5 JJBARO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000104919918 569847252 /nfs/dbraw/zinc/84/72/52/569847252.db2.gz YZRXQBPJRCVTGB-UKILVPOCSA-N 1 0 494.954 4.889 50 5 JJBARO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000104919915 569847279 /nfs/dbraw/zinc/84/72/79/569847279.db2.gz YZRXQBPJRCVTGB-ILBGXUMGSA-N 1 0 494.954 4.889 50 5 JJBARO Cc1nn(Cc2ccc(C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000058949044 195386549 /nfs/dbraw/zinc/38/65/49/195386549.db2.gz JHCPSRITAXNCLH-LJQANCHMSA-N 1 0 475.593 4.618 50 5 JJBARO CCOC(=O)c1c(NC(=O)C[NH2+][C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)sc2c1CCCC2 ZINC000002840301 554372242 /nfs/dbraw/zinc/37/22/42/554372242.db2.gz CHMKWJWVCGWKPF-IBGZPJMESA-N 1 0 496.589 4.799 50 5 JJBARO COc1ccc([C@@H](CNc2nn3c(=O)c4c(C)c(C)sc4nc3c3ccccc23)[NH+](C)C)cc1 ZINC000009685050 555413912 /nfs/dbraw/zinc/41/39/12/555413912.db2.gz NICVPYGATRFFPB-OAQYLSRUSA-N 1 0 473.602 4.798 50 5 JJBARO C[NH+](C)CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCO3 ZINC000010068121 555614291 /nfs/dbraw/zinc/61/42/91/555614291.db2.gz PHTQVNNQIZHYIV-UHFFFAOYSA-N 1 0 484.559 4.746 50 5 JJBARO CC(C)c1ccc(-n2ncc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2C2CC[NH2+]CC2)cc1 ZINC000020603579 555844336 /nfs/dbraw/zinc/84/43/36/555844336.db2.gz QFWFOBQARIGEAY-UHFFFAOYSA-N 1 0 451.502 4.762 50 5 JJBARO CC1(C)Cc2c(C(N)=O)c(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)sc2C(C)(C)[NH2+]1 ZINC000012378178 555967019 /nfs/dbraw/zinc/96/70/19/555967019.db2.gz BMLOZMJCWYHZRN-UHFFFAOYSA-N 1 0 475.570 4.518 50 5 JJBARO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013129462 556352400 /nfs/dbraw/zinc/35/24/00/556352400.db2.gz ZIYDOIBKDOKCEW-LJQANCHMSA-N 1 0 478.980 4.982 50 5 JJBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000036033875 563121866 /nfs/dbraw/zinc/12/18/66/563121866.db2.gz RXNRGZURASBQFP-NOZRDPDXSA-N 1 0 479.558 4.692 50 5 JJBARO CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055214857 569591226 /nfs/dbraw/zinc/59/12/26/569591226.db2.gz AXNSYFKZGNDKDD-UHFFFAOYSA-N 1 0 460.534 4.568 50 5 JJBARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681950 569643714 /nfs/dbraw/zinc/64/37/14/569643714.db2.gz VYPOAWJBAINSOJ-UHFFFAOYSA-N 1 0 499.493 4.973 50 5 JJBARO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000034723369 569652559 /nfs/dbraw/zinc/65/25/59/569652559.db2.gz MVFIAMXODJOTNK-XCZPVHLTSA-N 1 0 470.617 4.941 50 5 JJBARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CN(C(=O)C(C)C)C(C)C ZINC000106681812 569854527 /nfs/dbraw/zinc/85/45/27/569854527.db2.gz ZVSUFAZBBWIRMN-FYYLOGMGSA-N 1 0 453.583 4.712 50 5 JJBARO O=C(Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000020900510 195241350 /nfs/dbraw/zinc/24/13/50/195241350.db2.gz PXIBSTQVYAGYJM-UHFFFAOYSA-N 1 0 476.533 4.684 50 5 JJBARO O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 ZINC000020575052 555830077 /nfs/dbraw/zinc/83/00/77/555830077.db2.gz HNVUNQXBNGIIHQ-UHFFFAOYSA-N 1 0 460.321 4.807 50 5 JJBARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 ZINC000015947039 556084453 /nfs/dbraw/zinc/08/44/53/556084453.db2.gz MKWLSRKFINRYDL-MRXNPFEDSA-N 1 0 451.346 4.614 50 5 JJBARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000034678776 569642409 /nfs/dbraw/zinc/64/24/09/569642409.db2.gz YWNULEWTCJJXNB-UHFFFAOYSA-N 1 0 451.548 4.976 50 5 JJBARO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000034725807 569652784 /nfs/dbraw/zinc/65/27/84/569652784.db2.gz UIGPNANTWBNTDW-UHFFFAOYSA-N 1 0 458.562 4.916 50 5 JJBARO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000001314614 194083687 /nfs/dbraw/zinc/08/36/87/194083687.db2.gz MCMMNPQWDQQRMU-XMMPIXPASA-N 1 0 458.905 4.683 50 5 JJBARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016479887 527227246 /nfs/dbraw/zinc/22/72/46/527227246.db2.gz GNLNLSYHKDDDQP-UHFFFAOYSA-N 1 0 450.926 4.823 50 5 JJBARO COc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)/C=C/c3ccc([N+](=O)[O-])s3)nc21 ZINC000012141016 555920710 /nfs/dbraw/zinc/92/07/10/555920710.db2.gz LYOCBPFFIMWJAB-JXMROGBWSA-N 1 0 460.581 4.581 50 5 JJBARO C[NH+](C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000035872546 569719453 /nfs/dbraw/zinc/71/94/53/569719453.db2.gz VMZGDNOAVFAZLX-DEOSSOPVSA-N 1 0 470.573 4.798 50 5 JJBARO O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000052521497 569852385 /nfs/dbraw/zinc/85/23/85/569852385.db2.gz XQSWZHCYKKDDLW-UHFFFAOYSA-N 1 0 491.388 4.611 50 5 JJBARO